dimitrios maroudas curriculum vitae - umass...

DIMITRIOS MAROUDAS Curriculum Vitae

Department of Chemical Engineering Phone No: (413) 545-3617 154A Goessmann Laboratory FAX No: (413) 545-1647 University of Massachusetts Amherst E-mail: [email protected] Amherst, MA 01003-9303 Personal Information Place and Date of Birth: Born in Athens, Greece on September 6, 1964. Marital Status: Married to Mary A. Prentakis; two children, Nina D. E. and Nakos A. E. Maroudas. Citizenship: Greek citizen, permanent resident of the United States of America. EDUCATION Massachusetts Institute of Technology (MIT), Cambridge, Massachusetts. Ph.D. in Chemical Engineering. Degree awarded: 9/1992 Ph. D. Thesis Title: Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown from the Melt Ph.D. Thesis Advisor: Professor Robert A. Brown Minor in Physics: Solid-state physics and statistical mechanics Grade Point Average: 5.0/5.0 National Technical University (NTU), Athens, Greece. Diploma in Chemical Engineering. Degree awarded: 7/1987 Diploma Thesis Title: Experimental and Computational Study of Bubble Coalescence in Aqueous Surfactant Solutions Grade Point Average: 9.4/10.0. Rank: First in class of 200 PROFESSIONAL EXPERIENCE 9/2008 - present Director, Materials Engineering Program, College of Engineering,

University of Massachusetts (UMass) Amherst. 7/2002 - present Professor, Department of Chemical Engineering, UMass Amherst. 7/2001- 6/2002 Professor, Department of Chemical Engineering,

University of California, Santa Barbara (UCSB). 9/2000 - 8/2001 Visiting Associate Professor, Department of Chemical Engineering, MIT. 7/1999 - 6/2001 Associate Professor, Department of Chemical Engineering, UCSB. 7/1994 - 6/1999 Assistant Professor, Department of Chemical Engineering, UCSB. 8/1992 - 6/1994 Postdoctoral Research Fellow, IBM Research Division,

T. J. Watson Research Center, Yorktown Heights, New York. Postdoctoral Research Supervisor: Dr. Sokrates T. Pantelides.

7/1988 - 8/1992 Graduate Research Assistant and Teaching Assistant, Department of Chemical Engineering, MIT.

9/1987 - 6/1988 Graduate Research Fellow, Department of Chemical Engineering, MIT.

Dimitrios Maroudas 12/18/2015

HONORS AND AWARDS • College of Engineering Outstanding Senior Faculty Award, UMass Amherst, 2009. • Inducted into the Honor Society of Phi Kappa Phi (University of Massachusetts Chapter), 2009. • Co-Organizer, National Academy of Engineering’s Tenth Annual Symposium on Frontiers of

Engineering, September 2004, Irvine, California. • Invited Participant, National Academy of Engineering’s Ninth Annual Symposium on Frontiers

of Engineering, September 2003, Irvine, California. • Invited plenary speaker, NRC workshop on Challenges for the Chemical Sciences in the 21st

Century: Information & Communications, National Academies of Sciences, October/November 2002, Washington, D.C. [see, D. Maroudas, “Multiscale Modeling,” NRC Report on Challenges for the Chemical Sciences in the 21st Century: Information & Communications, National Research Council, The National Academies Press, 2003, pp. 133-136.]

• Camille Dreyfus Teacher-Scholar Award, The Camille & Henry Dreyfus Foundation, Inc., 1999. • Robert G. Rinker American Institute of Chemical Engineers (AIChE) Outstanding Teaching

Award, Department of Chemical Engineering, UCSB, 1996. • Faculty Research Fellowship Award, Oak Ridge Associated Universities, Oak Ridge Institute for

Science and Education, 1996. • Faculty Early Career Development (CAREER) Award, National Science Foundation (NSF),

1995. • IBM Postdoctoral Research Fellowship, IBM Research Division, 1992. • NSF Postdoctoral Fellowship, Division of Advanced Scientific Computing, New Technologies

Program, 1992, declined. • AIChE Outstanding Teaching Assistant Award, MIT, 1989. • Materials Processing Center Industry Collegium Fellowship, MIT, 1988. • Panchiakon Foundation Scholarship Award, Piraeus, Greece, 1988-1992. • Chemical Engineering Department Fellowship, MIT, 1987. • Economou Award for Academic Excellence, NTU Athens, Greece, 1987. • Thomaidis Award for Academic Excellence, NTU Athens, Greece, 1986. • Tiftixis Foundation Award, Athens, Greece, 1986, 1985. • National Fellowship Foundation Award, Greece, 1986, 1985, 1984, 1983, 1982. • Hamogeorgakis Award for Academic Excellence, NTU Athens, Greece, 1983. • Mathematical Society of Greece Award, Annual Contest, 1982. CURRENT RESEARCH INTERESTS AND TOPICS

Multi-scale modeling of complex systems. Theoretical and computational materials science and engineering: predictive modeling of structure, properties, dynamics, processing, function, and reliability of electronic and structural materials. Development and implementation of computational quantum, statistical, and continuum mechanical methods to study materials structure and dynamics and predict bulk and interfacial properties. Emphasis on: establishing links between atomistic and continuum length scales and between widely disparate time scales; predicting morphological evolution and stability of surfaces, interfaces, and other structural features in heterogeneous materials; and enabling system-level analysis based on atomic-scale dynamical simulators.

Surface engineering by simultaneous action of multiple external fields. Mass transport on solid surfaces. Mechanical behavior of electronic (conductor, semiconductor, and dielectric) materials. Chemical reactivity of semiconductor surfaces. Defect dynamics and failure of metallic thin films driven by electromigration and thermomechanical stresses; interconnect reliability in integrated circuits. Plasma deposition and post-deposition treatment of semiconductor thin films and nanostructures, including silicon thin films and carbon nanotubes. Synthesis and doping of compound semiconductor nanoparticles; effects of compositional distribution on properties of


ternary semiconductor quantum dots. Structure-property relations in graphene and few-layer graphene; tuning of graphene/few-layer graphene electronic and mechanical properties by chemical functionalization. Thermodynamics and kinetics of colloidal nanoparticle assemblies. Charge transport in organic photovoltaic devices. Mechanisms of lattice-mismatch strain relaxation in semiconductor heterostructures; strained-layer semiconductor heteroepitaxy, confined quantum structures, strained-silicon devices. Stress-induced phase transitions and failure in crystalline solids. Ion-beam-induced phase transitions in covalent crystals. Microstructure evolution in structural alloys induced by neutron irradiation. Interactions of plasmas with nuclear materials surfaces in fusion reactors and effects on microstructural evolution and surface morphological evolution. Research Funding Sources External Research Funding, since 7/1994:

• National Science Foundation (NSF) Divisions of: Materials Research, Electrical and Communications Systems, Chemical and Transport Systems, and Civil and Mechanical Systems

• NSF and U.S. Department of Energy (DOE) Partnership for Basic Plasma Science and Engineering

• NSF/ITR (Information Technology) Research Initiative • NSF/NIRT (Nanotechnology) Research Initiative • U.S. DOE Office of Basic Energy Sciences • U.S. DOE Office of Fusion Energy Sciences • U.S. DOE Office of Advanced Scientific Computing Research • U.S. Army Research Office (ARO) • Defense Advanced Research Projects Agency (DARPA) • Air Force Office of Scientific Research (AFOSR) • U.S. Nuclear Regulatory Commission • Universities Space Research Association (USRA) • The Camille and Henry Dreyfus Foundation, Inc. • Oak Ridge Institute for Science and Education

University of California Research Funding, 7/1994-6/2002: • UCSB College of Engineering • UCSB Materials Research Laboratory and Los Alamos National Laboratory, Frontiers of

Materials Science Program • University of California Energy Institute, Energy Science and Technology Program • University of California Campus-Laboratory Collaboration (CLC) Program • University of California Academic Senate, Committee on Research, Faculty Research Grant

Program University of Massachusetts Research Funding, since 7/2002:

• UMass Amherst College of Engineering

Total external funding support (D. Maroudas, Principal or Co-Principal Investigator) has exceeded $11,000,000 over the past twenty one years (since 7/1994); this excludes center-level funding, where D. Maroudas participates as a co-investigator (such as NSF-NSEC, NSF-MRSEC, and DOE-EFRC programs).


PROFESSIONAL ACTIVITIES Service in Professional Societies

• Director, Materials Engineering and Sciences Division (MESD), American Institute of Chemical Engineers (AIChE), 11/2010-12/2012.

• Member, 2012 CoMSEF Impact Award Committee, Computational Molecular Science and Engineering Forum, AIChE.

Chairing/Organization of Technical Meetings and Workshop Programs

• Co-Chairman, Session on Crystal Growth, Division of Electronic and Photonic Materials, AIChE Annual Meeting, November 1995, Miami Beach, Florida.

• Co-Chairman, Break-Out Session on Electronic Materials Process Modeling, Workshop on Modeling of Industrial Materials: Connecting Atomistic and Continuum Scales, Institute for Theoretical Physics, UCSB, January 1996, Santa Barbara, California.

• Vice-Chairman, Session on Transport Phenomena and Modeling in Electronic Materials Processing, Division of Electronic and Photonic Materials, AIChE Annual Meeting, November 1996, Chicago, Illinois.

• Chairman, Session on Computational Materials Science Methods, 2001 Meeting of the Division of Computational Physics of the American Physical Society, June 2001, Cambridge, Massachusetts.

• Vice-Chairman, Session on Multi-Scale Modeling of Chemical and Materials Processing, co-sponsored by AIChE areas 10D and 8E, AIChE Annual Meeting, November 2001, Reno, Nevada.

• Chairman, Session on Modeling and Simulation of Materials Processing, co-sponsored by areas 10D and 8D, AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

• Vice-Chairman, Session on Multi-Scale Modeling of Chemical and Materials Processing, AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

• Participant, National Academy of Engineering’s Ninth Annual Symposium on Frontiers of Engineering, September 2003 organizing committee meeting, Irvine, California.

• Chairman, Session on Multi-Scale Modeling of Chemical and Materials Processing, AIChE Annual Meeting, November 2003, San Francisco, California.

• Multi-scale Modeling & Simulation Area Organizer, National Academy of Engineering’s Tenth Annual Symposium on Frontiers of Engineering, September 2004, Irvine, California.

• Chairman, Session on Multiscale Modeling of Materials Processing, Topical Conference on Multiscale Analysis of Chemical, Materials, and Biological Processes, AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

• Chairman, Session on Molecular Modeling in Electronic Materials Processing, AIChE Annual Meeting, November 2006, San Francisco, California.

• Chairman, Session on Numerical Methods for Molecular and Mesoscopic Systems, AIChE Annual Meeting, November 2006, San Francisco, California.

• Co-Chairman, Session on Nanoelectronic Materials, AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

• Co-Chairman, Session on Nanoelectronic Materials, AIChE Annual Meeting, November 2009, Nashville, Tennessee.

• Conference Chairman, The IASTED International Conference on Nanotechnology and Applications (NANA 2010), November 2010, Cambridge, Massachusetts.

• Chairman, Session on Computational Modeling of Surfaces and Surface Phenomena, AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

• Co-Chairman, Session on Computational Studies of Electronic and Photonic Materials, AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

• Co-Chairman, Session on Nanoelectronic Materials I, AIChE Annual Meeting, November 2010, Salt Lake City, Utah.


• Co-Chairman, Session on Nanoelectronic Materials, AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

• Co-Chairman, Session on Modeling of Electronic and Photonic Materials I, AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

• Co-Chairman, Session on Modeling of Electronic and Photonic Materials II, AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

• Co-Chairman, Session on Nanoelectronic Materials, AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

• Co-Chairman, Session on Nanoelectronic Materials and Devices II, AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

• Chairman, Session on Computational Approaches for Electronics and Photonics, AIChE Annual Meeting, November 2013, San Francisco, California.

Editorial Appointments and Advisory Boards/Committees

• Member, International Advisory Committee, 3rd International Conference on Computational Modeling and Simulation of Materials, May-June 2004, Acireale (Catania), Sicily, Italy.

• Subject Editor on Mathematical Methods for the Handbook of Materials Modeling, edited by S. Yip, Springer (2005).

• Member, International Advisory Committee, 6th Panhellenic Conference in Chemical Engineering, May-June 2007, Athens, Greece.

• Member, Program Committee, The IASTED International Conference on Nanotechnology and Applications, September-October 2008, Crete, Greece.

• Member, International Advisory Committee, 6th International Workshop on Modeling in Crystal Growth, August 2009, Lake Geneva, Wisconsin.

• Member, Editorial Advisory Board, Surface Science (Elsevier Journal), 1/1/2013-present. • Member, Editorial Advisory Board, Materials Research Express (Institute of Physics

Journal), 10/1/2013-present. • Member, International Advisory Committee, 8th International Workshop on Modeling in

Crystal Growth (IWMCG-8), November 2015, Spa, Belgium. Refereeing / Reviewing Activity

• Serves as reviewer for research grant proposals submitted to: • National Science Foundation, Directorate for Engineering • National Science Foundation, Directorate for Mathematical and Physical Sciences • U.S. Department of Energy, Office of Basic Energy Sciences • U.S. Department of Energy, Office of Basic Energy Sciences, Early Career Research

Program • U.S. Department of Energy, Office of Fusion Energy Sciences • U.S. Army Research Office • American Chemical Society, Petroleum Research Fund

• Served as reviewer for supercomputing proposals submitted to Cornell Theory Center. • Serves as reviewer for technical articles submitted to:

ACS Nano, AIChE Journal, Applied Mathematics and Computation, Applied Physics Letters, Applied Surface Science, Carbon, Chemical Engineering Education, Chemical Engineering Science, Chemical Physics Letters, Computers and Chemical Engineering, Europhysics Letters, IEEE Transactions on Plasma Science, Industrial & Engineering Chemistry Research, International Journal of Multiphase Flow, International Journal of Solids and Structures, Journal of the American Chemical Society, Journal of Applied Physics, Journal of Chemical Physics, Journal of Computer-Aided Materials Design, Journal of Computational Physics, Journal of Crystal Growth, Journal of the Electrochemical Society, Journal of Materials Research, Journal of the Mechanics and Physics of Solids, Journal of Nuclear Materials, Journal of Physical Chemistry, Journal of Physics: Condensed Matter, Journal of


Process Control, Journal of Vacuum Science & Technology (A & B), Materials Research Express, Materials Research Society Symposia Proceedings, Materials Science and Engineering B, Modelling and Simulation in Materials Science and Engineering, Nanotechnology, Nature Communications, Nature Materials, Nuclear Instruments and Methods in Physics Research B, Philosophical Magazine, Philosophical Magazine Letters, Physica A, Physical Review B, Physical Review E, Physical Review Letters, Physics of Fluids, Semiconductor Science & Technology, Scripta Materialia, Surface Science, Surface Science Reports, Thin Solid Films.

• Serves as textbook reviewer for Cambridge University Press. Participation in Review Panels

• Science Readiness Review Panel, Diffusion Processes in Molten Semiconductors Project-Phase I, NASA Microgravity Science and Applications Division, NASA Lewis Research Center, June 1996, Cleveland, Ohio.

• NSF – Information Technology Research Initiative (ITR_DDDAS), May 2004, National Science Foundation.

• NSF – 1403 Organic Electronics Panel, July 2004, National Science Foundation. • NSF Directorate for Engineering, Division of Chemical and Transport Systems Review

Panel, May 2006, National Science Foundation. • Proliferation Deterrence Merit Review Team Workshop, January 2008, University of

Minnesota, Minneapolis, Minnesota. • NSF Directorate for Engineering, CBET Division, Chemical Reaction Engineering Review

Panel, May 2010, National Science Foundation. • Proliferation Deterrence Merit Review Team Workshop, August 2015, University of

Minnesota, Minneapolis, Minnesota. Professional Societies

• Member, American Association for the Advancement of Science (AAAS), since 1994 • Member, American Institute of Chemical Engineers (AIChE), since 1991 • Member, American Physical Society (APS), since 1992 • Member, Materials Research Society (MRS), since 1989 • Member, Technical Chamber of Greece, since 1987

Visiting Professorships

• Visiting Associate Professor, Department of Chemical Engineering, Massachusetts Institute of Technology (MIT), 9/2000-8/2001, Cambridge, Massachusetts; co-instructed graduate course in Transport Phenomena (10.50, Spring 2001) in addition to research and professional activities.

Consulting Experience

• Oak Ridge National Laboratory (Solid State Division, Metals & Ceramics Division, and Computer Science & Mathematics Division)

• NASA Ames Research Center (Integrated Product Team for Devices and Nanotechnology) • United Technologies Research Center, United Technologies Corporation, East Hartford, CT

(Computational Materials Science, Complex Systems Dynamics) • IBM Research & Development, Microelectronics Division


EDUCATIONAL ACTIVITIES Director, Materials Engineering Program, College of Engineering (COE), UMass Amherst, 9/2008 - present. Directs a seed effort for the development of Materials Engineering degree programs at UMass Amherst, having started with a certificate program in Materials Engineering for students in COE B.S. degree programs. Teaching Activities Taught one course per quarter of the academic year at UCSB. • ChE 120A/Fall Undergraduate course in Transport Processes A. Fluid Mechanics • ChE 213/Winter Graduate course in Computational Methods in Materials Science • ChE 50C/Spring Undergraduate course in Multivariable Calculus and Partial Differential

Equations • Engr. 5B/Winter Undergraduate course in Vector Calculus • Engr. 5C/Spring Undergraduate course in Ordinary and Partial Differential Equations • ChE 230C/Spring Graduate course in Nonlinear Analysis of Dynamical Systems • ChE 230D/Spring Graduate course in Numerical Methods in Chemical Engineering

Courses ChE 213, ChE 230C, and ChE 230D were offered every other academic year. Courses ChE 213, ChE 230D, and the ChE 50 series were new additions to the Chemical Engineering curriculum at UCSB; Engr. 5 replaced ChE 50 starting from academic year 1998-99. Organized one research seminar series in Computational Materials Science throughout the year at UCSB. Teaches one course per semester of the academic year at UMass Amherst. • ChE 661/Fall Graduate course in Advanced Chemical Engineering Analysis I:

Linear Analysis and Introduction to Complex Systems • ChE 662/Spring Graduate course in Advanced Chemical Engineering Analysis II:

Nonlinear Analysis of Dynamical Systems • ChE 633/Spring Graduate course in Transport Processes • ChE/MIE 590L/Spring Undergraduate/Graduate course in Materials Science and Engineering

Project • ChE/MIE 572/Spring Undergraduate/Graduate course in Physical and Chemical Processing

of Materials Laboratory Organizes one research seminar series in Computational Materials Science throughout the year at UMass Amherst.


Mentoring of Graduate & Undergraduate Students and Postdoctoral Scholars Postdoctoral Scholars Supervised (in chronological order): Maria E. Barone (9/1995-3/1996) Research Area: Atomic-scale simulation of defect dynamics and ion-beam-induced phase transformations in silicon Latest Known Affiliation: Lam Research Corporation Matthew N. Enmark (4/1996-6/1997) Research Area: Continuum modeling of microstructural evolution in metallic thin-film

interconnects under thermal stresses and electric fields Latest Known Affiliation: Hewlett Packard Corporation M. Rauf Gungor (7/1997-5/2000) Research Area: Multiscale computational studies of electromigration-induced and stress-induced failure mechanisms in metallic thin films Latest Known Affiliation: UMass Amherst; Research Associate Professor Pushpa Mahalingam (12/1998-5/1999) Research Area: Atomistic simulation of plasma deposition of silicon thin films Latest Known Affiliation: Texas Instruments

Tamás Bakos (11/2003-5/2005) Research Area: First-principles density-functional-theory analysis of diffusion and reaction processes on silicon surfaces Current Affiliation: European Patent Office Hadrian Djohari (9/2004-7/08) Research Area: Theoretical analysis and molecular-dynamics simulations of stress- induced structural transitions in crystals Current Affiliation: Case Western Reserve University, Research Associate Mayur S. Valipa (10/2005-6/2007) Research Area: Dynamical simulation of semiconductor thin-film growth

Current Affiliation: Hewlett Packard Enterprise; Senior Director, WW Software Strategy and Operations

George I. Sfyris (9/2009-10/2012) Research Area: Surface engineering by simultaneous action of multiple external fields Current Affiliation: Ecole Polytechnique, Paris, France; Research Associate Lin Hu (1/2013-present) Research Area: Multiscale modeling of interactions of plasmas with nuclear materials surfaces in fusion reactors Yuexing Zhang (10/2013-9/2014) Research Area: Electronic properties of organic semiconductor materials for organic photovoltaic devices

Current Affiliation: KAUST, Postdoctoral Research Associate Chang-Tsan (Abraham) Lu (1/2014-6/2015) Research Area: Thermomechanical properties of polymer-matrix composites

Current Affiliation: Third Wave Systems; Computational Mechanics Engineer Ray M. Sehgal (1/2014-5/2015) Research Area: Thermodynamics and kinetics of surface morphological transitions

Current Affiliation: Princeton University; Postdoctoral Research Associate


Graduate Students Advised/Co-advised (in chronological order): Brian D. Wirth 7/94-8/98 (co-advised with Profs. G. R. Odette and G. E. Lucas) (Ph.D.) Research topic: On the character of nano-scale features in reactor pressure vessel steels under neutron irradiation

Current Affiliation: Department of Nuclear Engineering, University of Tennessee Knoxville and Oak Ridge National Laboratory; Governor’s Chair Professor of Computational Nuclear Engineering

Baoqi Meng 7/94-6/96 (co-advised with Prof. W. H. Weinberg) (Ph.D.) Research topic: Ab initio molecular-dynamics simulations of chemical reactions on semiconductor surfaces Current Affiliation: Applied Biosystems Shyam Ramalingam 12/94-3/00 (co-advised with Prof. E. S. Aydil) (Ph.D.) Research topic: Plasma-surface interactions in deposition of silicon thin films: An atomic-scale analysis Current Affiliation: Micron Technology, Inc. Luis A. Zepeda-Ruiz 12/94-3/00 (co-advised with Prof. W. H. Weinberg) (Ph.D.) Research topic: Theoretical studies of strain effects on heteroepitaxial growth of III-V compound semiconductors Current Affiliation: Lawrence Livermore National Laboratory; Research Staff Member Henry S. Ho 12/96-4/99 (M.S.) Research topic: Modeling of void dynamics in metallic thin-film interconnects Sumit Agarwal 12/98-11/03 (co-advised with Prof. E. S. Aydil) (Ph.D.) Research topic: Measurement of radical densities in plasmas and

characterization of silicon thin films grown by plasma-enhanced chemical vapor deposition

Current Affiliation: Department of Chemical Engineering, Colorado School of Mines; Associate Professor Ioanna Pagani 12/98-7/00 (M.S.) Research topic: Modeling of heteroepitaxial growth of compound semiconductor thin films Latest Known Affiliation: Carnegie Mellon University (Ph.D. student) Saravanapriyan Sriraman 12/98-9/03 (co-advised with Prof. E. S. Aydil) (Ph.D.) Research topic: Understanding radical-surface interactions in plasma deposition of Si thin films through atomistic simulations Current Affiliation: Lam Research Corporation Jianhua Zhao 1/99-12/00 (co-advised with Prof. F. Milstein) (Ph.D.) Research topic: Analysis and dynamical simulation of stress- induced structural transitions in crystalline solids Current Affiliation: University of British Columbia, Canada; Research Associate Mayur S. Valipa 12/01-10/05 (co-advised with Prof. E. S. Aydil) (Ph.D.) Research Topic: Atomic-scale analysis of surface reactivity, roughness, and crystallinity of plasma-deposited


silicon thin films Current Affiliation: Hewlett Packard Enterprise Jaeseol Cho 12/02-8/07 (Ph.D.) Research Topic: Theoretical analysis of current-induced void dynamics in metallic thin films Current Affiliation: Samsung Corporation; R&D Engineer Miguel A. Amat 12/02-1/08 (Ph.D.) Research Topic: Coarse molecular-dynamics analysis of structural transitions in condensed matter Current Affiliation: UMass Medical School; Postdoctoral Research Associate Kedarnath Kolluri 12/03-1/09 (Ph.D.) Research Topic: Atomic-scale analysis of plastic deformation in thin-film forms of electronic materials Current Affiliation: Lawrence Berkeley National Laboratory;

Postdoctoral Research Associate Vivek Tomar 12/04-7/09 (Ph.D.) Research Topic: Modeling of surface morphological response to the

simultaneous action of multiple external fields Current Affiliation: MEMC Microelectronics; Process R&D

Engineer Tejinder Singh 12/05-9/10 (co-advised with Prof. T. J. Mountziaris) (Ph.D.) Research Topic: Atomic-scale modeling of transition-metal doping

of semiconductor nanocrystals Current Affiliation: Intel Corporation; Process R&D Engineer André R. Muniz 12/06-4/11 (Ph.D.) Research Topic: Computational analysis of structural

transformations in carbon nanotubes induced by hydrogenation

Current Affiliation: Federal University of Rio Grande do Sul, Brazil; Assistant Professor

Sumeet C. Pandey 12/06-9/11 (co-advised with Prof. T. J. Mountziaris) (Ph.D.) Research Topic: Modeling of growth and prediction of properties of

electronic nanomaterials: Silicon thin films and compound semiconductor quantum dots

Current Affiliation: Micron Technology, Inc.; Senior Research Scientist

Ray M. Sehgal 11/08-12/13 (co-advised with Prof. D. M. Ford) (Ph.D.) Research Topic: Coarse-grained modeling of the phase behavior of

thermodynamically small particle assemblies Current Affiliation: UMass Amherst: Postdoctoral Research

Associate Dwaipayan Dasgupta since 11/10 (Ph.D.) Research Topic: Driven surface evolution by simultaneous action of

mechanical stresses, electric fields, and thermal gradients

Xu Han since 11/10


(Ph.D.) Research Topic: Theoretical studies of atomic transport in ternary semiconductor quantum dots and charge transport in organic photovoltaic active layers

Raghuram Thyagarajan since 11/11 (co-advised with Prof. D. M. Ford) (Ph.D.) Research Topic: Thermodynamics and kinetics of colloidal

assemblies Lin Du since 11/12 (Ph.D.) Research Topic: Surface engineering by simultaneous action of

multiple external fields Ashish Kumar since 11/13 (co-advised with Prof. C. Dimitrakopoulos) (Ph.D.) Research Topic: Driven atomic transport and directed assembly on

graphene Mengxi Chen since 10/14 (Ph.D.) Research Topic: Optimal Design of Graphene-based Metamaterials Asanka Weerasinghe since 1/15 (co-advised with Prof. A. Ramasubramaniam) (Ph.D.) Research Topic: Properties of hydrogenated disordered graphene and

graphene-polymer nanocomposites Informal Graduate Student Mentoring (in chronological order): B. Z. Nosho 7/94-12/95 (Thesis Advisor: Professor W. H. Weinberg) (UCSB, Ph.D.) Research topic: Kinetic Monte Carlo simulation of the initial stages of strained-layer heteroepitaxy of III-V compound semiconductors 1/98-3/99 Research topic: Heteroepitaxial growth of InAs on GaAs(111)A: Preparation, deposition, and characterization Current Affiliation: HRL Laboratories, Inc. H. L. Ludtke 5/95-12/96 (Thesis Advisor: Professor G. E. Lucas) (UCSB, Ph.D.) Research topic: Simulation of stress-induced phase transformations in body-centered cubic metals 4/98-9/00 Research topic: Interfacial stability of intermetallic multi-layered structures R. I. Pelzel 1/98-3/00 (Thesis Advisor: Professor W. H. Weinberg) (UCSB, Ph.D.) Research topic: Heteroepitaxial growth of InAs on GaAs(111)A: Preparation, deposition, and characterization Current Affiliation: International Quantum Epitaxy, Inc. Robert S. Hoy 4/01-12/01 (co-advised with Professor F. Milstein) (UCSB) Research topic: Atomistic simulation and numerical nonlinear analysis of stress-induced structural transitions in crystalline solids Latest Known Affiliation: The Johns Hopkins University (Ph.D. student)


Undergraduate Students Supervised: A. S. Lopez Summer 1997, Summer Academic Research Internship (SARI) (UCSB) Program of the University of California Research Topic: Visualization of molecular-dynamics simulations of plasma-surface interactions Latest Known Affiliation: IBM Corporation R. Klein Winter 2002, Undergraduate research (UCSB) Research Topic: Analysis of stress evolution and growth precursor transport on amorphous silicon surfaces Latest Known Affiliation: Pennsylvania State University (Ph.D. student; Materials Science & Engineering) S. J. Bullock Summer 2007, Undergraduate research (REU) (UMass Amherst) Research Topic: Analysis of H reaction and diffusion mechanisms on carbon nanotube walls

Current Affiliation: MonoSol, LLC Nick d’Eramo 9/10-5/11, Undergraduate Honors Thesis (UMass Amherst) Research Topic: A computational investigation of the structure and

properties of hydrogenated graphene bilayers Current Affiliation: Raytheon Corinne Carpenter 6/11-8/13 (co-advised with Prof. A. Ramasubramaniam)

(UMass Amherst) Undergraduate research (REU) and Undergraduate Honors Thesis Research Topic: Atomic-scale modeling of irradiation-induced

structural transitions in single-layer graphene Current Affiliation: U.C. Santa Barbara (Ph.D. student; Chemical

Engineering) Spencer Wyant 1/14-8/14

(UMass Amherst) Undergraduate research Research Topic: Mechanical behavior of graphene nanomeshes Current Affiliation: MIT (Ph.D. student; Materials Science and

Engineering)


Participation in Graduate Degree Committees: UCSB Chemical Engineering Students: G. C. Hsueh (M.S., 1995), R. W. Boyle (M.S., 1995), D. Yavich (Ph.D., 1995), T. A. Jachimowski (Ph.D., 1996), C.-C. Chen (M.S., 1997), C. M. Leibig (Ph.D., 1997), C. Chaubal (Ph.D., 1997), S. E. Campbell (Ph.D., 1998), J. Remmelgas (Ph.D., 1998), V. de Angelis (Ph.D., 1998), M. J. Kennedy (Ph.D., 1998), S. M. Han (Ph.D., 1998), E. Edelberg (Ph.D., 1999), B. Z. Nosho (Ph.D., 1999), A. B. Hopkus (M.S., 1999), R. I. Pelzel (Ph.D., 2000), D. C. Marra (Ph.D., 2000), C. J. Hagedorn (Ph.D., 2000), M. J. Weiss (Ph.D., 2000), H. L. Ludtke (Ph.D., 2000), A. Singhal (Ph.D., 2002), D. Chen (Ph.D., 2002), A. Godfrey (M.S., 2002), S. Ullal (Ph.D., 2002), T.-W. Kim (Ph.D., 2002), F. Baldessari (Ph.D., 2004). UCSB Mechanical Engineering and Materials Students: E. V. Mader (Ph.D., 1995), M. Toloczko (M.S., 1996), V. Moravietsky (Ph.D., 1996), L. L. Fischer (Ph.D., 1999). UMass Amherst Chemical Engineering Students: T. Carriere (Ph.D, 2004), R. Gonzalez-Ruiz (Ph.D., 2004), A. Morel (M.S., 2004), S. Khowinij (M.S., 2004), D. M. Hess (Ph.D., 2007), A. Panday (Ph.D., 2006), S. Tulyani (Ph.D., 2008), N. Tiwari (Ph.D., 2008), C. F. Karanikas (Ph.D., 2008), K. D. Smith (Ph.D., 2009), P. Mandare (Ph.D., 2006), R. D. Duffadar (Ph.D., 2008), B. Kostova (Ph.D., 2006), K. D. Hammond (Ph.D., 2009), J. M. Cho (Ph.D., 2009), S. Gon (M.S., 2007), S. Kuriyedath (Ph.D., 2011), A. Verma (Ph.D., 2011), E. You (Ph.D., 2011), A. Boelens (Ph.D., 2012), J. R. Edison (Ph.D., 2012), H. Katkar (Ph.D., in progress), Ö. Abanoz (M.S., 2015), I. Prasad (Ph.D., in progress), K. Iyer (Ph.D., in progress). UMass Amherst Mathematics (MATH), Chemistry (CHE), Mechanical & Industrial Engineering (MIE), and Electrical & Computer Engineering (ECE) Students: N. Tzirakis (MATH, Ph.D., 2004), Z. Rapti (MATH, Ph.D., 2004), Choonghong Oh (MATH, Ph.D., 2007), Sasanka Are (MATH, Ph.D., 2007), Chenyu Wang (MATH, Ph.D., 2010), Y. Shen (MATH, Ph.D., 2012), D. Yan (MATH, Ph.D., 2014). M. Mastromatteo (CHE, M.S., 2014), K. Lehuta (CHE, Ph.D., in progress), L. Renna (CHE, Ph.D., in progress), A. Farjamnia (CHE, Ph.D., in progress). S. Gopalakrishnan (MIE, Ph.D., 2009), I. Fampiou (MIE, Ph.D., 2014). T. P. O’Regan (ECE, Ph.D., 2008), Y. Zhang (ECE, Ph.D., 2010), J. Kim (ECE, Ph.D., 2010), D. Zhang (ECE, Ph.D., 2011), Z. Chen (ECE, Ph.D., 2013), B. Gavin (ECE, M.S., 2013), B. Gavin (ECE, Ph.D., in progress). External Committee Member: Ying Hu, Physics, Vanderbilt University (Ph.D., 2007).


UNIVERSITY SERVICE At UCSB:

• Department of Chemical Engineering, UCSB • Member, Graduate Affairs Committee (7/94-6/97) • Member, Undergraduate Curriculum Committee (1/95–6/00) • Member, Faculty Search Committee (7/94-6/98, 7/01-6/02) • Member, Graduate Admissions Committee (7/99-6/00) • Member, Departmental Seminars Committee (7/97-6/98, 7/01-6/02) • Chair, Computing Committee (7/97-6/00)

• College of Engineering, UCSB • Member, Computational Science & Engineering Faculty Search Committee (9/98-

9/99) • UCSB Campus:

• Member, Campus Internationalization Committee (7/95-6/97) • Member, Faculty Legislature Committee of the Santa Barbara Division of the

University of California Academic Senate (7/97-6/99, 7/01-6/02) At UMass Amherst:

• Department of Chemical Engineering, UMass Amherst • Graduate Program Director (9/05-9/07, 9/09-9/11) • Chair, Faculty Search Committee (9/02-8/04, 9/12-8/13) • Chair, Transport Qualifying Exam Committee (6/03, 9/03, 6/04, 9/05-5/15) • Chair, Distinguished Seminar Series Committee (9/11-8/13) • Member, Personnel Committee (9/02-8/05; 9/11-8/12) • Member, Graduate Program Committee (9/02-8/03, 9/04-present) • Member, Transport Qualifying Exam Committee (9/02) • Member, Faculty Search Committee (9/06-8/08; 9/13-8/14) • Member, Distinguished Seminar Series Committee (9/06-8/11)

• College of Engineering (COE), UMass Amherst • Member, Chemical Engineering Department Head Search Committee (3/03-5/03) • Member, Chemical Engineering Department Head Search Committee (12/04-6/05) • Participant, COE Executive Council (8/05) • Member, Materials Engineering Faculty Search Committee (9/08-6/09, 9/09-8/11) • Member, COE Strategic Planning Committee (1/11) • Member, COE Awards Committee (4/11-5/13) • Member, COE Interim Dean Search Committee (1/12-4/12) • Member, Chemical Engineering Department Head Search Committee (9/14-6/15) • Member, COE Personnel Committee (6/15-present)

• UMass Amherst Campus • Member, College of Engineering Dean’s Review Committee (1/08-6/08)


PUBLICATIONS Journal Articles 1. D. Maroudas and R. A. Brown, “On the Prediction of Dislocation Formation in

Semiconductor Crystals Grown from the Melt: Analysis of the Haasen Model for Plastic Deformation Dynamics,” Journal of Crystal Growth 108, 399-415 (1991).

2. D. Maroudas and R. A. Brown, “Analysis of Point Defect Diffusion and Drift in Cubic-Type Lattices: Constitutive Modeling,” Physical Review B 44, 2567-2581 (1991).

3. D. Maroudas and R. A. Brown, “Analysis of the Effects of Oxygen Migration on Dislocation Motion in Silicon,” Journal of Applied Physics 69, 3865-3877 (1991).

4. D. Maroudas and R. A. Brown, “Model of Dislocation Locking by Oxygen Gettering in Silicon Crystals,” Applied Physics Letters 58, 1842-1844 (1991).

5. D. Maroudas and R. A. Brown, “Constitutive Modeling of the Effects of Oxygen on the Deformation Behavior of Silicon,” Journal of Materials Research 6, 2337-2352 (1991).

6. D. Maroudas and R. A. Brown, “Atomistic Calculation of the Self-Interstitial Diffusivity in Silicon,” Applied Physics Letters 62, 172-174 (1993).

7. D. Maroudas and R. A. Brown, “Calculation of Thermodynamic and Transport Properties of Intrinsic Point Defects in Silicon,” Physical Review B 47, 15562-15577 (1993).

8. S. T. Pantelides, D. Maroudas, and D. B. Laks, “Defects in Heterogeneous Solids: From Microphysics to Macrophysics,” Materials Science Forum 143, 1-8 (1994).

9. R. A. Brown, D. Maroudas, and T. Sinno, “Modeling Point Defect Dynamics in the Crystal Growth of Silicon,” Journal of Crystal Growth 137, 12-25 (1994).

10. D. Maroudas and S. T. Pantelides, “Point Defects in Crystalline Silicon, Their Migration, and Their Relation to the Amorphous Phase,” Chemical Engineering Science 49, 3001-3014 (1994).

11. D. Maroudas, “Dynamics of Transgranular Voids in Metallic Thin Films Under Electromigration Conditions,” Applied Physics Letters 67, 798-800 (1995).

12. D. Maroudas, M. N. Enmark, C. M. Leibig, and S. T. Pantelides, “Analysis of Damage Formation and Propagation in Metallic Thin Films Under the Action of Thermal Stresses and Electric Fields,” Journal of Computer-Aided Materials Design 2, 231-258 (1995).

13. D. Maroudas and S. Shankar, “Electronic Materials Process Modeling,” Journal of Computer-Aided Materials Design 3, 36-48 (1996).

14. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Energetics of Formation and Migration of Self-Interstitials and Self-Interstitial Clusters in α-Iron,” Journal of Nuclear Materials 244, 185-194 (1997).

15. M. E. Barone and D. Maroudas, “Defect-Induced Amorphization of Silicon as a Mechanism of Disordered Region Formation During Ion Implantation,” Journal of Computer-Aided Materials Design 4, 63-73 (1997).

16. B. Meng, D. Maroudas, and W. H. Weinberg, “Structure of the Chemisorbed Acetylene on the Si(001)-(2×1) Surface and the Effect of Coadsorbed Atomic Hydrogen,” Chemical Physics Letters 278, 97-101 (1997).

17. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomistic Simulation of SiH Interactions with Silicon Surfaces During Deposition from Silane Containing Plasmas,” Applied Physics Letters 72, 578-580 (1998).


18. M. R. Gungor and D. Maroudas, “Electromigration-Induced Failure of Metallic Thin Films Due to Transgranular Void Propagation,” Applied Physics Letters 72, 3452-3454 (1998).

19. D. Maroudas, L. A. Zepeda-Ruiz, and W. H. Weinberg, “Interfacial Stability and Misfit Dislocation Formation in InAs/GaAs(110) Heteroepitaxy,” Surface Science 411, L865-L871 (1998).

20. D. Maroudas, L. A. Zepeda-Ruiz, and W. H. Weinberg, “Kinetics of Strain Relaxation through Misfit Dislocation Formation in the Growth of Epitaxial Films on Compliant Substrates,” Applied Physics Letters 73, 753-755 (1998).

21. L. J. Gray, D. Maroudas, and M. N. Enmark, “Galerkin Boundary-Integral Method for Evaluating Surface Derivatives,” Computational Mechanics 22, 187-193 (1998).

22. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Interaction of SiH Radicals from a Silane Plasma with Silicon Surfaces: An Atomic-Scale Simulation Study,” Journal of Applied Physics 84, 3895-3911 (1998).

23. M. R. Gungor and D. Maroudas, “Nonlinear Analysis of the Morphological Evolution of Void Surfaces in Metallic Thin Films Under Surface Electromigration Conditions,” Surface Science 415, L1055-L1060 (1998).

24. S. Ramalingam, D. Maroudas, E. S. Aydil, and S. P. Walch, “Abstraction of Hydrogen by SiH3 from Hydrogen-Terminated Si(001)-(2×1) Surfaces,” Surface Science 418, L8-L13 (1998).

25. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Semicoherent Interface Formation and Structure in InAs/GaAs(111)A Heteroepitaxy,” Surface Science 418, L68-L72 (1998).

26. M. R. Gungor, D. Maroudas, and L. J. Gray, “Effects of Mechanical Stress on Electromigration-Driven Transgranular Void Dynamics in Passivated Metallic Thin Films,” Applied Physics Letters 73, 3848-3850 (1998).

27. L. J. Gray, D. Maroudas, M. N. Enmark, and E. F. D’Azevedo, “Approximate Green’s Functions in Boundary Integral Analysis,” Engineering Analysis with Boundary Elements 23, 267-274 (1999).

28. M. R. Gungor and D. Maroudas, “Theoretical Analysis of Electromigration-Induced Failure of Metallic Thin Films Due to Transgranular Void Propagation,” Journal of Applied Physics 85, 2233-2246 (1999).

29. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Visualizing Radical-Surface Interactions in Plasma Deposition Processes: Reactivity of SiH3 Radicals with Silicon Surfaces,” IEEE Transactions on Plasma Science 27, 104-105 (1999).

30. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Theoretical Study of the Energetics, Strain Fields, and Semicoherent Interface Structures in Layer-by-Layer Semiconductor Heteroepitaxy,” Journal of Applied Physics 85, 3677-3695 (1999).

31. M. R. Gungor and D. Maroudas, “Nonhydrostatic Stress Effects on Failure of Passivated Metallic Thin Films Due to Void Surface Electromigration,” Surface Science 432, L604-L610 (1999).

32. B. Z. Nosho, L. A. Zepeda-Ruiz, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Surface Morphology in InAs/GaAs(111)A Heteroepitaxy: Experimental Measurements and Computer Simulations,” Applied Physics Letters 75, 829-831 (1999).

33. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomistic Simulation Study of the Interactions of SiH3 Radicals with Silicon Surfaces,” Journal of Applied Physics 86, 2872-2888 (1999).


34. L. A. Zepeda-Ruiz, B. Z. Nosho, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Kinetics of Strain Relaxation through Misfit Dislocation Formation in InAs/GaAs(111)A Heteroepitaxy,” Surface Science 441, L911-L916 (1999).

35. S. Ramalingam, P. Mahalingam, E. S. Aydil, and D. Maroudas, “Theoretical Study of the Interactions of SiH2 Radicals with Silicon Surfaces,” Journal of Applied Physics 86, 5497-5508 (1999).

36. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Dislocation Loop Structure, Energy, and Mobility of Self-Interstitial Clusters in BCC Iron,” Journal of Nuclear Materials 276, 33-40 (2000).

37. R. I. Pelzel, L. A. Zepeda-Ruiz, B. Z. Nosho, Y. Li, W. H. Weinberg, and D. Maroudas, “Mechanical Behavior of Thin Buffer Layers in InAs/GaAs(111)A Heteroepitaxy,” Applied Physics Letters 76, 3017-3019 (2000).

38. D. Maroudas, “Multi-Scale Modeling of Hard Materials: Challenges and Opportunities for Chemical Engineering,” AIChE Journal 46, 878-882 (2000).

39. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Abstraction of Hydrogen by SiH Radicals from Hydrogenated Amorphous Silicon Surfaces,” Surface Science 459, L475-L481 (2000).

40. M. R. Gungor, D. Maroudas, and S. J. Zhou, “Molecular-Dynamics Study of the Mechanism and Kinetics of Void Growth in Ductile Metallic Thin Films,” Applied Physics Letters 77, 343-345 (2000).

41. M. R. Gungor and D. Maroudas, “Current-Induced Non-Linear Dynamics of Voids in Metallic Thin Films: Morphological Transition and Surface Wave Propagation,” Surface Science 461, L550-L556 (2000).

42. R. I. Pelzel, L. A. Zepeda-Ruiz, W. H. Weinberg, and D. Maroudas, “Effects of Buffer Layer Thickness and Film Compositional Grading on Strain Relaxation Kinetics in InAs/GaAs(111)A Heteroepitaxy,” Surface Science 463, L634-L640 (2000).

43. S. P. Walch, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Mechanism and Energetics of Dissociative Adsorption of SiH3 on the Hydrogen-Terminated Si(001)-(2×1) Surface,” Chemical Physics Letters 329, 304-310 (2000).

44. L. A. Zepeda-Ruiz, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Interfacial Stability and Structure in InAs/GaAs(111)A: Effects of Buffer Layer Thickness and Film Compositional Grading,” Applied Physics Letters 77, 3352-3354 (2000).

45. J. Zhao, D. Maroudas, and F. Milstein, “Thermal Activation of Shear Modulus Instabilities in Pressure-Induced bcc→hcp Transitions,” Physical Review B 62, 13799-13802 (2000).

46. S. Ramalingam, S. Sriraman, E. S. Aydil, and D. Maroudas, “Evolution of Structure, Morphology, and Reactivity of Hydrogenated Amorphous Silicon Film Surfaces Grown by Molecular-Dynamics Simulation,” Applied Physics Letters 78, 2685-2687 (2001).

47. M. R. Gungor and D. Maroudas, “Modeling of Electromechanically-Induced Failure of Passivated Metallic Thin Films Used in Device Interconnections,” International Journal of Fracture 109, 47-68 (2001).

48. S. Ramalingam, E. S. Aydil, and D. Maroudas, “Molecular-Dynamics Study of the Interactions of Small Thermal and Energetic Silicon Clusters with Crystalline and Amorphous Silicon Surfaces,” Journal of Vacuum Science and Technology B 19, 634-644 (2001).

49. S. P. Walch, S. Ramalingam, S. Sriraman, E. S. Aydil, and D. Maroudas, “Mechanisms and Energetics of SiH3 Adsorption on the Pristine Si(001)-(2×1) Surface,” Chemical Physics Letters 344, 249-255 (2001).


50. L. A. Zepeda-Ruiz, R. I. Pelzel, B. Z. Nosho, W. H. Weinberg, and D. Maroudas, “Deformation Behavior of Coherently Strained InAs/GaAs(111)A Heteroepitaxial Systems: Theoretical Calculations and Experimental Measurements,” Journal of Applied Physics 90, 2689-2698 (2001).

51. D. Maroudas, “Modeling of Radical-Surface Interactions in the Plasma-Enhanced Chemical Vapor Deposition of Silicon Thin Films,” Advances in Chemical Engineering 28, 251-296 (2001).

52. D. Maroudas and M. R. Gungor, “Continuum and Atomistic Modeling of Electromechanically-Induced Failure of Ductile Metallic Thin Films,” Computational Materials Science 23, 242-249 (2002).

53. D. Maroudas, L. A. Zepeda-Ruiz, R. I. Pelzel, B. Z. Nosho, and W. H. Weinberg, “Strain Relaxation and Interfacial Stability in III-V Semiconductor Strained-Layer Heteroepitaxy: Atomistic & Continuum Modeling and Comparisons with Experiment,” Computational Materials Science 23, 250-259 (2002).

54. S. Sriraman, E. S. Aydil, and D. Maroudas, “Visualizing the Evolution of Surface Bond Straining during Radical-Surface Interactions in Plasma Deposition Processes,” IEEE Transactions on Plasma Science 30, 112-113 (2002).

55. A. G. Makeev, D. Maroudas, and I. G. Kevrekidis, “`Coarse’ Stability and Bifurcation Analysis of Stochastic Simulators: Kinetic Monte Carlo Examples,” Journal of Chemical Physics 116, 10083-10091 (2002).

56. S. Sriraman, S. Agarwal, E. S. Aydil, and D. Maroudas, “Mechanism of Hydrogen-Induced Crystallization of Amorphous Silicon,” Nature 418, 62-65 (2002). • articles and commentaries for this article were featured in numerous journals and

newspapers, including Nature, Chemical & Engineering News, and the Boston Globe. 57. S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of Deposition and

Characterization of a-Si:H Thin Films Grown from SiH Radical Precursor,” Journal of Applied Physics 92, 842-852 (2002).

58. S. Agarwal, S. Sriraman, A. Takano, M. C. M. van de Sanden, E. S. Aydil, and D. Maroudas, “Mechanism and Activation Energy Barrier for H Abstraction by H(D) from a-Si:H Surfaces,” Surface Science 515, L469-L474 (2002).

59. A. G. Makeev, D. Maroudas, A. Z. Panagiotopoulos, and I. G. Kevrekidis, “Coarse Bifurcation Analysis of Kinetic Monte Carlo Simulations: A Lattice-Gas Model with Lateral Interactions,” Journal of Chemical Physics 117, 8229-8240 (2002).

60. S. Agarwal, A. Takano, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Abstraction of Atomic Hydrogen by Atomic Deuterium from an Amorphous Hydrogenated Silicon Surface,” Journal of Chemical Physics 117, 10805-10816 (2002).

61. L. A. Zepeda-Ruiz, W. H. Weinberg, and D. Maroudas, “Combined Effects of Substrate Compliance and Film Compositional Grading on Strain Relaxation in Layer-by-Layer Semiconductor Heteroepitaxy: The Case of InAs/In0.50Ga0.50As/GaAs(111)A,” Surface Science 540, 363-378 (2003).

62. S. Sriraman, P. Mahalingam, E. S. Aydil, and D. Maroudas, “Mechanism and Energetics of Dimerization of SiH2 Radicals on H-Terminated Si(001)-(2×1) Surfaces,” Surface Science 540, L623-L630 (2003).

63. S. Agarwal, B. Hoex, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Absolute Densities of N and excited N2 in an N2 Plasma,” Applied Physics Letters 83, 4918-4920 (2003).


64. S. Agarwal, G. W. W. Quax, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Measurement of Absolute Radical Densities in a Plasma Using Modulated-Beam Line-of-Sight Ionization Mass Spectrometry,” Journal of Vacuum Science and Technology A 22, 71-81 (2004).

65. S. Sriraman, E. S. Aydil, and D. Maroudas, “Growth and Characterization of a-Si:H Thin Films from SiH2 Radical Precursor: An Atomic-Scale Analysis,” Journal of Applied Physics 95, 1792-1805 (2004). • selected paper on Nanotechnology – Theory and Modeling (a collection of 50

outstanding papers focusing on the theory and modeling of nanoscale materials and structures), Milestone Series of Selected Reprints: Collections of Outstanding papers from the world literature on optical and optoelectronic science, engineering, and technology, edited by F. Wang and A. Lakhtakia (SPIE Press, Bellingham, Washington USA, 2006).

66. C. I. Siettos, D. Maroudas, and I. G. Kevrekidis, “Coarse Bifurcation Diagrams via Microscopic Simulators: A State-Feedback Control-Based Approach,” International Journal of Bifurcations and Chaos 14, 207-220 (2004).

67. J. S. Cho, M. R. Gungor, and D. Maroudas, “Electromigration-Driven Motion of Morphologically Stable Voids in Metallic Thin Films: Universal Scaling of Migration Speed with Void Size,” Applied Physics Letters 85, 2214-2216 (2004).

68. M. S. Valipa, E. S. Aydil, and D. Maroudas, “Atomistic Calculation of the SiH3 Surface Reactivity During Plasma Deposition of Amorphous Silicon Thin Films,” Surface Science 572, L339-L347 (2004).

69. F. Milstein, J. Zhao, and D. Maroudas, “Atomic Pattern Formation at the Onset of Stress-Induced Elastic Instability: Fracture versus Phase Change,” Physical Review B 70, Article No. 184102, 6 pages (2004).

70. S. Agarwal, B. Hoex, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Hydrogen in Si-Si Bond-Center and Platelet-Like Defect Configurations in Amorphous Hydrogenated Silicon,” Journal of Vacuum Science & Technology B 22, 2719-2726 (2004).

71. M. S. Valipa, S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of Fundamental Mechanisms of Surface Valley Filling During Plasma Deposition of Amorphous Silicon Thin Films,” Surface Science 574, 123-143 (2005).

72. J. S. Cho, M. R. Gungor, and D. Maroudas, “Electromigration-Induced Wave Propagation on Surfaces of Voids in Metallic Thin Films: Hopf Bifurcation for High Grain Symmetry,” Surface Science 575, L41-L50 (2005).

73. T. Bakos, M. S. Valipa, and D. Maroudas, “Thermally Activated Mechanisms of Hydrogen Abstraction by Growth Precursors During Plasma Deposition of Silicon Thin Films,” Journal of Chemical Physics 122, Article No. 054703, 9 pages (2005).

74. M. S. Valipa, E. S. Aydil, and D. Maroudas, “Visualizing the Evolution of Surface Morphology and Surface Bond Strain During Plasma Deposition of Amorphous Silicon Thin Films,” IEEE Transactions on Plasma Science 33, 228-229 (2005).

75. T. Bakos and D. Maroudas, “First-Principles Analysis of Precursor-Surface Reaction Pathways Relevant to Plasma Deposition of Silicon Thin Films,” IEEE Transactions on Plasma Science 33, 230-231 (2005).

76. M. R. Gungor and D. Maroudas, “Atomistic Mechanisms of Strain Relaxation Due to Ductile Void Growth in Ultrathin Films of Face-Centered Cubic Metals,” Journal of Applied Physics 97, Article No. 113527, 7 pages (2005).


77. R. Carretero-Gonzalez, P. G. Kevrekidis, I. G. Kevrekidis, D. Maroudas, and D. J. Frantzeskakis, “A Parrinello-Rahman Approach to Vortex Lattices,” Physics Letters A 341, 128-134 (2005).

78. J. S. Cho, M. R. Gungor, and D. Maroudas, “Effects of Electromigration-Induced Void Dynamics on the Evolution of Electrical Resistance in Metallic Interconnect Lines,” Applied Physics Letters 86, Article No. 241905, 3 pages (2005).

79. T. Bakos, M. S. Valipa, E. S. Aydil, and D. Maroudas, “Temperature Dependence of Precursor-Surface Interactions in Plasma Deposition of Silicon Thin Films,” Chemical Physics Letters 414, 61-65 (2005).

80. M. R. Gungor and D. Maroudas, “Relaxation of Biaxial Tensile Strain in Ultra-Thin Metallic Films: Ductile Void Growth versus Nanocrystalline Domain Formation,” Applied Physics Letters 87, Article No. 171913, 3 pages (2005). • selected paper for the 10/31/2005 issue of the Virtual Journal of Nanoscale Science and

Technology. 81. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Surface Smoothening Mechanism of

Amorphous Silicon Thin Films,” Physical Review Letters 95, Article No. 216102, 4 pages (2005).

82. S. Agarwal, M. S. Valipa, B. Hoex, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Interaction of SiH3 Radicals with Amorphous Deuterated (Hydrogenated) Silicon Surfaces,” Surface Science 598, 35-44 (2005).

83. F. Milstein, J. Zhao, S. Chantasiriwan, and D. Maroudas, “Applicability of Born’s Stability Criterion to Face-Centered-Cubic Crystals in [111] Loading,” Applied Physics Letters 87, Article No. 251919, 3 pages (2005).

84. M. S. Valipa and D. Maroudas, “Atomistic Analysis of the Mechanism of Hydrogen Diffusion in Plasma Deposited Amorphous Silicon Thin Films,” Applied Physics Letters 87, Article No. 261911, 3 pages (2005).

85. K. Kolluri, L. A. Zepeda-Ruiz, C. S. Murthy, and D. Maroudas, “Kinetics of Strain Relaxation in Si1-xGex Thin Films on Si(100) Substrates: Modeling and Comparison with Experiments,” Applied Physics Letters 88, Article No. 021904, 3 pages (2006).

86. J. S. Cho, M. R. Gungor, and D. Maroudas, “Current-Driven Interactions Between Voids in Metallic Interconnect Lines and Their Effects on Line Electrical Resistance,” Applied Physics Letters 88, Article No. 221905, 3 pages (2006).

87. S. Sriraman, M. S. Valipa, E. S. Aydil, and D. Maroudas, “Hydrogen-Induced Crystallization of Amorphous Silicon Thin Films. I. Simulation and Analysis of Film Post-Growth Treatment with H2 Plasmas,” Journal of Applied Physics 100, Article No. 053514, 11 pages (2006). • selected paper for the 9/25/2006 issue of the Virtual Journal of Nanoscale Science and

Technology. 88. M. S. Valipa, S. Sriraman, E. S. Aydil, and D. Maroudas, “Hydrogen-Induced Crystallization

of Amorphous Silicon Thin Films. II. Mechanisms and Energetics of Hydrogen Insertion into Si-Si Bonds,” Journal of Applied Physics 100, Article No. 053515, 13 pages (2006).

89. T. Bakos, M. S. Valipa, and D. Maroudas, “First-Principles Theoretical Analysis of Silyl Radical Diffusion on Silicon Surfaces,” Journal of Chemical Physics 125, Article No. 104702, 8 pages (2006).

90. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Determination of the Onset of Structural Transitions: Melting of Crystalline Solids,” Physical Review B 74, Article No. 132201, 4 pages (2006).


91. M. S. Valipa, T. Bakos, and D. Maroudas, “Surface Smoothness of Plasma-Deposited Amorphous Silicon Thin Films: Surface Diffusion of Radical Precursors and Mechanism of Si Incorporation,” Physical Review B 74, Article No. 205324, 15 pages (2006).

92. H. Djohari, F. Milstein, and D. Maroudas, “Analysis of Elastic Stability and Structural Response of Face-Centered Cubic Crystals Subject to [110] Loading,” Applied Physics Letters 89, Article No. 181907, 3 pages (2006).

93. J. S. Cho, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Current-Driven Interactions Between Voids in Metallic Thin Films,” Journal of Applied Physics 101, Article No. 023518, 12 pages (2007).

94. M. R. Gungor and D. Maroudas, “Stress-Induced Deceleration of Electromigration-Driven Void Motion in Metallic Thin Films,” Journal of Applied Physics 101, Article No. 063513, 5 pages (2007).

95. T. Bakos, M. S. Valipa, and D. Maroudas, “Interactions Between Radical Growth Precursors on Plasma-Deposited Silicon Thin-Film Surfaces,” Journal of Chemical Physics 126, Article No. 114704, 11 pages (2007).

96. H. Djohari, F. Milstein, and D. Maroudas, “Stability of Simple Cubic Crystals,” Applied Physics Letters 90, Article No. 161910, 3 pages (2007).

97. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Analysis of Stress-Induced Structural Transitions in Crystals,” Applied Physics Letters 90, Article No. 171910, 3 pages (2007).

98. K. Kolluri, M. R. Gungor, and D. Maroudas, “Void Nucleation in Biaxially Strained Ultrathin Films of Face-Centered Cubic Metals,” Applied Physics Letters 90, Article No. 221907, 3 pages (2007).

99. T. Singh, M. S. Valipa, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Sequential Hydride Dissociation on Surfaces of Silicon Thin Films,” Applied Physics Letters 90, Article No. 251915, 3 pages (2007).

100. E. D. Koronaki, M. R. Gungor, C. I. Siettos, and D. Maroudas, “Current-Induced Wave Propagation on Surfaces of Voids in Metallic Thin Films with High Symmetry of Surface Diffusional Anisotropy,” Journal of Applied Physics 102, Article No. 073506, 10 pages (2007).

101. T. Singh, M. S. Valipa, T. J. Mountziaris, and D. Maroudas, “Mechanisms and Energetics of Hydride Dissociation Reactions on Surfaces of Plasma-Deposited Silicon Thin Films,” Journal of Chemical Physics 127, Article No. 194703, 9 pages (2007).

102. V. Tomar, M. R. Gungor, and D. Maroudas, “Current-Induced Stabilization of Surface Morphology in Stressed Solids,” Physical Review Letters 100, Article No. 036106, 4 pages (2008). • articles and commentaries for this article were featured in Physical Review Focus (see

story on this article: http://focus.aps.org/story/v21/st4), United Press International, Materials World, Materials Performance, Advanced Materials and Processes, and most physics and engineering newsletters and websites.

103. J. S. Cho, M. R. Gungor, and D. Maroudas, “Hopf Bifurcation, Bistability, and Onset of Current-Induced Wave Propagation on Void Surfaces in Metallic Thin Films,” Surface Science 602, 1227-1242 (2008).

104. V. Tomar, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Texture Effects on the Surface Morphological Stability of Metallic Thin Films,” Applied Physics Letters 92, Article No. 181905, 3 pages (2008).


http://focus.aps.org/story/v21/st4

105. K. Kolluri, M. R. Gungor, and D. Maroudas, “Atomic-Scale Analysis of Defect Dynamics and Strain Relaxation Mechanisms in Biaxially Strained Ultra-thin Films of Face-Centered Cubic Metals,” Journal of Applied Physics 103, Article No. 123517, 11 pages (2008). • selected paper for the 6/30/2008 issue of the Virtual Journal of Nanoscale Science and

Technology. 106. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Mechanical Behavior of Ultra-low-

dielectric-constant Mesoporous Amorphous Silica,” Applied Physics Letters 92, Article No. 251903, 3 pages (2008).

107. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Dopant Adsorption and Diffusion on Surfaces of ZnSe Nanocrystals,” Chemical Physics Letters 462, 265-268 (2008).

108. S. C. Pandey, T. Singh, and D. Maroudas, “On the Growth Mechanism of Plasma Deposited Amorphous Silicon Thin Films,” Applied Physics Letters 93, Article No. 151913, 3 pages (2008).

109. M. A. Amat, M. Arienti, V. A. Fonoberov, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Analysis of an Order-to-Disorder Transformation of a Krypton Monolayer on Graphite,” Journal of Chemical Physics 129, Article No. 184106, 9 pages (2008).

110. K. Kolluri, M. R. Gungor, and D. Maroudas, “Molecular Dynamics Simulations of Martensitic fcc-to-hcp Phase Transformations in Strained Ultrathin Metallic Films,” Physical Review B 78, Article No. 195408, 6 pages (2008).

111. K. Kolluri, M. R. Gungor, and D. Maroudas, “Comparative Study of the Mechanical Behavior Under Biaxial Strain of Prestrained Face-centered Cubic Metallic Ultrathin Films,” Applied Physics Letters 94, Article No. 101911, 3 pages (2009). • selected paper for the 3/23/2009 issue of the Virtual Journal of Nanoscale Science and

Technology. 112. A. R. Muniz, T. Singh, and D. Maroudas, “Effects of Hydrogen Chemisorption on the

Structure and Deformation of Single-walled Carbon Nanotubes,” Applied Physics Letters 94, Article No. 103108, 3 pages (2009). • selected paper for the 3/23/2009 issue of the Virtual Journal of Nanoscale Science and

Technology. 113. K. Kolluri, M. R. Gungor, and D. Maroudas, “Molecular-Dynamics Simulations of Stacking-

Fault-Induced Dislocation Annihilation in Prestrained Ultrathin Single-Crystalline Copper Films,” Journal of Applied Physics 105, Article No. 093515, 8 pages (2009).

114. V. Tomar, M. R. Gungor, and D. Maroudas, “Rippling Instability on Surfaces of Stressed Crystalline Conductors,” Applied Physics Letters 94, Article No. 181911, 3 pages (2009).

115. H. Djohari, F. Milstein, and D. Maroudas, “Dynamics of the bcc→hcp Transition in Crystals Under Uniaxial Stress,” Physical Review B 79, Article No. 174109, 8 pages (2009).

116. T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “First-Principles Theoretical Analysis of Pure and Hydrogenated Crystalline Carbon Phases and Nanostructures,” Chemical Physics Letters 474, 168-174 (2009).

117. S. C. Pandey, T. Singh, and D. Maroudas, “Kinetic Monte Carlo Simulations of Surface Growth During Plasma Deposition of Silicon Thin Films,” Journal of Chemical Physics 131, Article No. 034503, 12 pages (2009).

118. A. R. Muniz, T. Singh, E. S. Aydil, and D. Maroudas, “Analysis of Diamond Nanocrystal Formation from Multiwalled Carbon Nanotubes,” Physical Review B 80, Article No. 144105, 12 pages (2009).


• selected paper for the 10/19/2009 issue of the Virtual Journal of Nanoscale Science and Technology.

• featured in Physical Review Focus (10/2/2009); See story on this article: http://focus.aps.org/story/v24/st13.

119. A. R. Muniz, M. Meyyappan, and D. Maroudas, “On the Hydrogen Storage Capacity of Carbon Nanotube Bundles,” Applied Physics Letters 95, Article No. 163111, 3 pages (2009). • selected paper for the 11/2/2009 issue of the Virtual Journal of Nanoscale Science and

Technology. 120. K. Kolluri, M. R. Gungor, and D. Maroudas, “Atomistic Analysis of Strain Relaxation in

[110]-Oriented Biaxially Strained Ultrathin Copper Films,” Journal of Applied Physics 106, Article No. 103519, 8 pages (2009). • selected paper for the 12/7/2009 issue of the Virtual Journal of Nanoscale Science and

Technology. 121. D. J. Beltran-Villegas, R. M. Sehgal, D. Maroudas, D. M. Ford, and M. A. Bevan, “Fokker-

Planck Analysis of Separation Dependent Potentials and Diffusion Coefficients in Simulated Microscopy Experiments,” Journal of Chemical Physics 132, Article No. 044707, 8 pages (2010). • chosen as a research highlight featured on the journal website home page. • selected as a 2010 Journal of Chemical Physics Editor’s Choice in the area of Surfaces,

Interfaces, and Materials. 122. V. Tomar, M. R. Gungor, and D. Maroudas, “Electromechanically Driven Chaotic Dynamics

of Voids in Metallic Thin Films,” Physical Review B 81, Article No. 054111, 10 pages (2010).

123. V. Tomar, M. R. Gungor, and D. Maroudas, “Effects of Surface Diffusional Anisotropy on the Current-Driven Surface Morphological Response of Stressed Solids,” Journal of Applied Physics 107, Article No. 093527, 11 pages (2010).

124. S. C. Pandey, T. J. Mountziaris, D. Venkataraman, and D. Maroudas, “Formation of Core/Shell-like ZnSe1-xTex Nanocrystals due to Equilibrium Surface Segregation,” Applied Physics Letters 96, Article No. 201910, 3 pages (2010).

125. V. Tomar, M. R. Gungor, and D. Maroudas, “Current-Induced Stabilization of Surface Morphology in Stressed Solids: Validation of Linear Stability Theory,” Journal of Applied Physics 107, Article No. 103525, 9 pages (2010).

126. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Electromigration-Driven Surface Morphological Stabilization of a Coherently Strained Epitaxial Thin Film on a Substrate,” Applied Physics Letters 96, Article No. 231911, 3 pages (2010).

127. T. Singh, T. J. Mountziaris, and D. Maroudas, “On the Transition-Metal Doping Efficiency of Zinc Oxide Nanocrystals,” Applied Physics Letters 97, Article No. 073120, 3 pages (2010).

128. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Current-Driven Motion of Morphologically Stable Voids in Metallic Thin Films: Steady and Time-Periodic States,” Journal of Applied Physics 108, Article No. 053514, 8 pages (2010).

129. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Analysis of Current-Driven Surface Morphological Stabilization of a Coherently Strained Epitaxial Thin Film on a Finite-Thickness Deformable Substrate,” Journal of Applied Physics 108, Article No. 093517, 9 pages (2010).

130. A. R. Muniz and D. Maroudas, “Hydrogenation Effects on the Structure and Morphology of Graphene and Single-walled Carbon Nanotubes,” Journal of Applied Physics 108, Article No. 113532, 10 pages (2010).


http://focus.aps.org/story/v24/st13


131. S. C. Pandey, G. I. Sfyris, and D. Maroudas, “Theory of Surface Segregation in Ternary Semiconductor Quantum Dots,” Applied Physics Letters 98, Article No. 091907, 3 pages (2011). • selected paper for the 3/14/2011 issue of the Virtual Journal of Nanoscale Science and

Technology. 132. V. Tomar, M. R. Gungor, and D. Maroudas, “Analysis of Electromechanically Induced Long-

Wavelength Rippling Instability on Surfaces of Crystalline Conductors,” Journal of Applied Physics 109, Article No. 053518, 11 pages (2011).

133. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Mechanical Properties of Ultra-low-dielectric-constant Mesoporous Amorphous Silica Structures: Effects of Pore Morphology and Loading Mode,” Applied Physics Letters 98, Article No. 121902, 3 pages (2011).

134. D. Maroudas, “Surface Morphological Response of Crystalline Solids to Mechanical Stresses and Electric Fields,” Surface Science Reports 66, 299-346 (2011). • Invited Review Article

135. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Compositional Effects on the Electronic Structure of ZnSe1-xSx Ternary Quantum Dots,” Applied Physics Letters 99, Article No. 101902, 3 pages (2011).

136. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Effects of Applied Stress Tensor Anisotropy on the Electromechanically Driven Complex Dynamics of Void Surfaces in Metallic Thin Films,” Journal of Applied Physics 110, Article No. 063705, 9 pages (2011).

137. D. J. Beltran-Villegas, R. M. Sehgal, D. Maroudas, D. M. Ford, and M. A. Bevan, “A Smoluchowski Model of Crystallization Dynamics of Small Colloidal Clusters,” Journal of Chemical Physics 135, Article No. 154506, 10 pages (2011).

138. S. C. Pandey and D. Maroudas, “Equilibrium Compositional Distribution in Freestanding Ternary Semiconductor Quantum Dots: The Case of InxGa1-xAs,” Journal of Chemical Physics 135, Article No. 234701, 12 pages (2011). • selected paper for the 1/9/2012 issue of the Virtual Journal of Nanoscale Science and

Technology. 139. S. C. Pandey and D. Maroudas, “Effects of Composition and Compositional Distribution on

the Electronic Structure of ZnSe1-xTex Ternary Quantum Dots,” Journal of Applied Physics 110, Article No. 123509, 6 pages (2011).

140. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “The Effect of a Compliant Substrate on the Electromigration-Driven Surface Morphological Stabilization of an Epitaxial Thin Film,” Journal of Applied Physics 111, Article No. 024905, 12 pages (2012).

141. T. Singh, T. J. Mountziaris, and D. Maroudas, “Transition-Metal Doping of Small Cadmium Selenide Clusters,” Applied Physics Letters 100, Article No. 053105, 3 pages (2012).

142. A. R. Muniz and D. Maroudas, “Formation of Fullerene Superlattices by Interlayer Bonding in Twisted Bilayer Graphene,” Journal of Applied Physics 111, Article No. 043513, 6 pages (2012).

143. D. Dasgupta, G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Surface Morphological Stabilization of Stressed Crystalline Solids by Simultaneous Action of Applied Electric and Thermal Fields,” Applied Physics Letters 100, Article No. 141902, 4 pages (2012).

144. C. Carpenter, A. Ramasubramaniam, and D. Maroudas, “Analysis of Vacancy-induced Amorphization of Single-Layer Graphene,” Applied Physics Letters 100, Article No. 203105, 4 pages (2012).



145. S. C. Pandey, J. Wang, T. J. Mountziaris, and D. Maroudas, “Thermodynamic Instability of ZnSe/ZnS Core/Shell Quantum Dots,” Journal of Applied Physics 111, Article No. 113526, 8 pages (2012).

146. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Transition-Metal Doping of ZnSe Quantum Dots,” Journal of Applied Physics 112, Article No. 024301, 16 pages (2012).

147. A. R. Muniz and D. Maroudas, “Opening and Tuning of Band Gap by the Formation of Diamond Superlattices in Twisted Bilayer Graphene,” Physical Review B 86, Article No. 075404, 11 pages (2012). • selected paper as Editors’ Suggestion for reading in Physical Review B.

148. D. J. Beltran-Villegas, R. M. Sehgal, D. Maroudas, D. M. Ford, and M. A. Bevan, “Colloidal Cluster Crystallization Dynamics,” Journal of Chemical Physics 137, Article No. 134901, 11 pages (2012).

149. X. Han, S. C. Pandey, and D. Maroudas, “Kinetics of Interdiffusion in Semiconductor Ternary Quantum Dots,” Applied Physics Letters 101, Article No. 141906, 5 pages (2012).

150. D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Electromigration-Driven Complex Dynamics of Void Surfaces in Stressed Metallic Thin Films Under a General Biaxial Mechanical Loading,” Journal of Applied Physics 112, Article No. 083523, 10 pages (2012).

151. A. R. Muniz and D. Maroudas, “Superlattices of Fluorinated Interlayer-Bonded Domains in Twisted Bilayer Graphene,” Journal of Physical Chemistry C 117, 7315-7325 (2013).

152. R. M. Sehgal, J. G. Cogan, D. M. Ford, and D. Maroudas, “Onset of the Crystalline Phase in Small Assemblies of Colloidal Particles,” Applied Physics Letters 102, Article No. 201905, 4 pages (2013).

153. C. Carpenter, D. Maroudas, and A. Ramasubramaniam, “Mechanical Properties of Irradiated Single-Layer Graphene,” Applied Physics Letters 103, Article No. 013102, 4 pages (2013).

154. A. S. Machado, D. Maroudas, and A. R. Muniz, “Tunable Mechanical Properties of Diamond Superlattices Generated by Interlayer Bonding in Twisted Bilayer Graphene,” Applied Physics Letters 103, Article No. 013113, 5 pages (2013).

155. G. I. Sfyris, D. Dasgupta, and D. Maroudas, “The Effect of a Thermal Gradient on the Electromigration-Driven Surface Morphological Stabilization of an Epitaxial Thin Film on a Compliant Substrate,” Journal of Applied Physics 114, Article No. 023503, 13 pages (2013).

156. D. Maroudas, X. Han, and S. C. Pandey, “Design of Semiconductor Ternary Quantum Dots with Optimal Optoelectronic Function,” AIChE Journal 59, 3223-3236 (2013). • Invited article for special AIChE J. issue on Tribute to Founders: Neal R. Amundson.

157. D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Current-driven Morphological Evolution of Single-layer Epitaxial Islands on Crystalline Substrates,” Surface Science 618, L1-L5 (2013).

158. D. Dasgupta and D. Maroudas, “Surface Nanopatterning from Current-Driven Assembly of Single-Layer Epitaxial Islands,” Applied Physics Letters 103, Article No. 181602, 4 pages (2013).

159. R. M. Sehgal, D. Maroudas, and D. M. Ford, “Phase Behavior of the 38-atom Lennard-Jones Cluster,” Journal of Chemical Physics 140, Article No. 104312, 11 pages (2014).

160. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Dynamics of Small Mobile Helium Clusters near Tungsten Surfaces,” Surface Science 626, L21-L25 (2014).


161. C. Carpenter, A. M. Christmann, L. Hu, I. Fampiou, A. R. Muniz, A. Ramasubramaniam, and D. Maroudas, “Elastic Properties of Graphene Nanomeshes,” Applied Physics Letters 104, Article No. 141911, 5 pages (2014).

162. L. Du, D. Dasgupta, and D. Maroudas, “Stabilization of the Surface Morphology of Stressed Solids Using Thermal Gradients,” Applied Physics Letters 104, Article No. 181901, 4 pages (2014).

163. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Interactions of Mobile Helium Clusters with Surfaces and Grain Boundaries of Plasma-Exposed Tungsten,” Journal of Applied Physics 115, Article No. 173512, 8 pages (2014).

164. X. Han, M. Bag, T. S. Gehan, D. Venkataraman, and D. Maroudas, “Analysis of Hole Transport in Thin Films and Nanoparticle Assemblies of Poly(3-hexylthiophene),” Chemical Physics Letters 610-611, 273-277 (2014).

165. R. M. Sehgal, D. Maroudas, and D. M. Ford, “Effects of the Attractive Potential Range on the Phase Behavior of Small Clusters of Colloidal Particles,” Journal of Chemical & Engineering Data 59, 3105-3112 (2014).

166. L. Du, D. Dasgupta, and D. Maroudas, “Stabilization of the Surface Morphology of Stressed Solids Using Simultaneously Applied Electric Fields and Thermal Gradients,” Journal of Applied Physics 116, Article No. 173501, 11 pages (2014).

167. L. Hu and D. Maroudas, “Thermal Transport Properties of Graphene Nanomeshes,” Journal of Applied Physics 116, Article No. 184304, 5 pages (2014).

168. A. R. Muniz, A. S. Machado, and D. Maroudas, “Mechanical Behavior of Interlayer-Bonded Nanostructures Obtained from Bilayer Graphene,” Carbon 81, 663-677 (2015).

169. L. Hu, S. Wyant, A. R. Muniz, A. Ramasubramaniam, and D. Maroudas, “Mechanical Behavior and Fracture of Graphene Nanomeshes,” Journal of Applied Physics 117, Article No. 024302, 6 pages (2015).

170. M. A. Bevan, D. M. Ford, M. A. Grover, B. Shapiro, D. Maroudas, Y. Yang, R. Thyagarajan, X. Tang, and R. M. Sehgal, “Controlling Assembly of Colloidal Particles into Structured Objects: Basic Strategy and a Case Study,” Journal of Process Control 27, 64-75 (2015).

171. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Helium Impurity Transport on Grain Boundaries: Enhanced or Inhibited?,” Europhysics Letters 110, Article No. 52002, 6 pages (2015).

172. B. D. Wirth, K. D. Hammond, S. I. Krasheninnikov, and D. Maroudas, “Challenges and Opportunities of Modeling Plasma Surface Interactions in Tungsten Using High Performance Computing,” Journal of Nuclear Materials 463, 30-38 (2015).

173. L. Du, D. Dasgupta, and D. Maroudas, “Weakly Nonlinear Theory of Secondary Rippling Instability in Surfaces of Stressed Solids,” Journal of Applied Physics 118, Article No. 035303, 14 pages (2015).

174. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Molecular-Dynamics Analysis of Mobile Helium Cluster Reactions near Surfaces of Plasma-Exposed Tungsten,” Journal of Applied Physics 118, Article No. 163301, 12 pages (2015).

175. R. M. Sehgal and D. Maroudas, “Equilibrium Shape of Colloidal Crystals,” Langmuir 31, 11428-11437 (2015).

176. X. Han, M. Bag, T. S. Gehan, D. Venkataraman, and D. Maroudas, “Analysis of Charge Transport and Device Performance in Organic Photovoltaic Devices with Active Layers of Self-Assembled Nanospheres,” Journal of Physical Chemistry C 119, 25826-25839 (2015).


177. D. Maroudas, K. D. Hammond, S. Blondel, L. Hu, and B. D. Wirth, “Segregation of Helium on Surfaces of Plasma-exposed Tungsten,” Journal of Physics: Condensed Matter, in press, 13 pages (2015). • Invited research article for special issue on Surface Segregation.

178. L. A. Renna, M. Bag, T. S. Gehan, X. Han, D. Maroudas, P. M. Lahti, and D. Venkataraman, “Tunable Percolation in Semiconducting Binary Polymer Nanoparticle Glasses,” submitted to Journal of Physical Chemistry B.

179. C.-T. Lu, D. Maroudas, and A. Ramasubramaniam, “Elastic Properties of Graphene- and Fullerene-Reinforced Polymer Composites: The Role of Filler Morphology and Size,” submitted to Modelling and Simulation in Materials Science and Engineering.

180. M. Bag, L. A. Renna, S. P. Jeong, X. Han, D. Maroudas, and D. Venkataraman, “Facile Fabrication of Carbon Nanotube/Perovskite Composite Nanomaterials for Reduced Charge Recombination in Photovoltaic Devices,” submitted to Journal of Physical Chemistry Letters.

Refereed Conference Proceedings Articles 181. D. Maroudas and R. A. Brown, “Diffusion of Point Defects in a Stressed Simple Cubic

Crystal,” in Defects and Diffusion in Semiconductors: Bulk and Layered Structures, edited by D. J. Wolford, J. Bernholc, and E. E. Haller, Materials Research Society Symposia Proceedings, vol. 163, Materials Research Society, Pittsburgh (1990), pp. 615-620.

182. D. Maroudas and R. A. Brown, “Analysis of Oxygen Gettering and Dislocation Locking in Silicon,” in Defects in Materials, edited by P. D. Bristowe, J. E. Epperson, J. E. Griffith, and Z. Liliental-Weber, Materials Research Society Symposia Proceedings, vol. 209, Materials Research Society, Pittsburgh (1991), pp. 597-602.

183. D. Maroudas and R. A. Brown, “Analysis of the Effects of Oxygen on Dislocation Motion in Silicon,” in Proceedings of the Second Symposium on Defects in Silicon, edited by W. M. Bullis and U. Gösele, The Electrochemical Society Proceedings Series, vol. 91-9, The Electrochemical Society, Pennington, NJ (1991), pp. 181-188.

184. D. Maroudas and R. A. Brown, “Atomistic Simulations of Point Defect Properties in Silicon,” in Computational Methods in Materials Science, edited by J. E. Mark, M. E. Glicksman, and S. P. Marsh, Materials Research Society Symposia Proceedings, vol. 278, Materials Research Society, Pittsburgh (1992), pp. 115-120.

185. D. Maroudas and S. T. Pantelides, “Theoretical Studies of Electromigration in Polycrystalline Metal Stripes,” in Materials Reliability in Microelectronics III, edited by K. P. Rodbell, W. F. Filter, H. Frost, and P. S. Ho, Materials Research Society Symposia Proceedings, vol. 309, Materials Research Society, Pittsburgh (1993), pp. 333-338.

186. D. B. Laks, D. Maroudas, and S. T. Pantelides, “Diffusive Creep in Polycrystals,” in Mechanisms of Thin Film Evolution, edited by S. M. Yalisove, C. V. Thompson, and D. J. Eaglesham, Materials Research Society Symposia Proceedings, vol. 317, Materials Research Society, Pittsburgh (1994), pp. 449-454.

187. S. T. Pantelides, D. Maroudas, and D. B. Laks, “Theory of Microstructure Evolution in Heterogeneous Materials. From Atoms to Continuum Mechanics,” in Computational Materials Modeling, edited by A. K. Noor and A. Needleman, American Society of Mechanical Engineers, New York (1994), pp. 1-21.

188. D. Maroudas and S. T. Pantelides, “Theory and Computer Simulation of Grain-Boundary and Void Dynamics in Polycrystalline Conductors,” in Materials Reliability in Microelectronics V, edited by A. S. Oates, W. F. Filter, R. Rosenberg, A. L. Greer, and K. Gadepally,


Materials Research Society Symposia Proceedings, vol. 391, Materials Research Society, Pittsburgh (1995), pp. 151-162.

189. D. Maroudas, M. N. Enmark, C. M. Leibig, and S. T. Pantelides, “Theory and Computer Simulation of Microstructure Evolution in Polycrystalline Metallic Thin Films,” in Proceedings of the Fourth International Symposium on Process Physics and Modeling in Semiconductor Technology, edited by G. R. Srinivasan, C. S. Murthy, and S. T. Dunham, The Electrochemical Society Proceedings Series, vol. 96-4, The Electrochemical Society, Pennington, NJ (1996), pp. 249-260.

190. D. Maroudas, M. E. Barone, and B. Meng, “Atomic-Scale Simulation of Defect-Induced Amorphization of Crystalline Silicon,” in Proceedings of the Fourth International Symposium on Process Physics and Modeling in Semiconductor Technology, edited by G. R. Srinivasan, C. S. Murthy, and S. T. Dunham, The Electrochemical Society Proceedings Series, vol. 96-4, The Electrochemical Society, Pennington, NJ (1996), pp. 387-397.

191. S. Ramalingam, A. Lopez, D. Maroudas, and E. S. Aydil, “Computational Atomic-Scale Study of the Reactivity of Molecular Fragments from SiH4/H2 Plasma with Amorphous Silicon Surfaces,” in Proceedings of the International Symposium of Thin Film Materials, Processes, Reliability, and Applications: Thin Film Processes, edited by G. S. Mathad, M. Meyyappan, and M. Engelhardt, The Electrochemical Society Proceedings Series, vol. 97-30, The Electrochemical Society, Pennington, NJ (1998), pp. 35-46.

192. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of the Reactivity of Radicals from Silane/Hydrogen Plasmas with Silicon Surfaces,” in Thin-Film Structures for Photovoltaics, edited by E. D. Jones, R. Noufi, B. L. Sopori, and J. Kalejs, Materials Research Society Symposia Proceedings, vol. 485, Materials Research Society, Warrendale, PA (1998), pp. 107-112.

193. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Simulation of Interstitial Cluster Mobility and Cluster Mediated Surface Topologies,” in Atomistic Mechanisms in Beam Synthesis and Irradiation of Materials, edited by J. C. Barbour, S. Roorda, and D. Ila, Materials Research Society Symposia Proceedings, vol. 504, Materials Research Society, Warrendale, PA (1998), pp. 63-68.

194. L. A. Zepeda-Ruiz, D. Maroudas, and W. Henry Weinberg, “Interfacial Stability and Misfit Dislocation Formation in InAs/GaAs Heteroepitaxy,” in Thin Films - Stresses and Mechanical Properties VII, edited by R. C. Cammarata, E. P. Busso, M. Nastasi, and W. C. Oliver, Materials Research Society Symposia Proceedings, vol. 505, Materials Research Society, Warrendale, PA (1998), pp. 191-196.

195. D. Maroudas, M. R. Gungor, H. S. Ho, and M. N. Enmark, “Theoretical Analysis of Electromigration-Induced Failure of Metallic Thin Films,” in Thin Films - Stresses and Mechanical Properties VII, edited by R. C. Cammarata, E. P. Busso, M. Nastasi, and W. C. Oliver, Materials Research Society Symposia Proceedings, vol. 505, Materials Research Society, Warrendale, PA (1998), pp. 249-254.

196. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of Plasma-Enhanced Chemical Vapor Deposition from Silane/Hydrogen Plasmas on Silicon Substrates,” in Amorphous and Microcrystalline Silicon Technology, edited by S. Wagner, M. Hack, H. M. Branz, R. Schropp, and I. Shimizu, Materials Research Society Symposia Proceedings, vol. 507, Materials Research Society, Warrendale, PA (1998), pp. 673-678.

197. M. R. Gungor, L. J. Gray, and D. Maroudas, “Analysis of Failure in Metallic Thin-Film Interconnects Due to Stress and Electromigration-Induced Void Propagation,” in Materials Reliability in Microelectronics VIII, edited by T. Marieb, J. Bravman, M. A. Korhonen, and J. R. Lloyd, Materials Research Society Symposia Proceedings, vol. 516, Materials Research Society, Warrendale, PA (1998), pp. 165-170.


198. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Interfacial Stability and Surface Morphology in Layer-By-Layer Semiconductor Heteroepitaxy,” in Mechanisms and Principles of Epitaxial Growth in Metallic Systems, edited by L. T. Wille, C. P. Burmester, K. Terakura, G. Comsa, and E. D. Williams, Materials Research Society Symposia Proceedings, vol. 528, Materials Research Society, Warrendale, PA (1998), pp. 153-160.

199. H. S. Ho, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Faceted Void Dynamics in Metallic Thin Films Under Electromigration Conditions,” in Computational and Mathematical Models of Microstructural Evolution, edited by J. W. Bullard, R. Kalia, M. Stoneham, and L.-Q. Chen, Materials Research Society Symposia Proceedings, vol. 529, Materials Research Society, Warrendale, PA (1998), pp. 27-32.

200. D. Maroudas, S. Ramalingam, and E. S. Aydil, “Atomic-Scale Modeling of Plasma-Surface Interactions in the PECVD of Silicon,” in Fundamental Gas-Phase and Surface Chemistry of Vapor-Phase Materials Synthesis, edited by T. J. Mountziaris, M. D. Allendorf, C. Bernard, K. F. Jensen, M. Meyyappan, R. K. Ulrich, and M. R. Zachariah, The Electrochemical Society Proceedings Series, vol. 98-23, The Electrochemical Society, Pennington, NJ (1999), pp. 179-190.

201. D. Maroudas, M. R. Gungor, H. S. Ho, and L. J. Gray, “Modeling of Electromigration-Induced Failure of Metallic Thin-Film Interconnects,” in Interconnect and Contact Metallization: Materials, Processes and Reliability, edited by P. C. Andricacos, J. O. Dukovic, G. S. Mathad, G. M. Oleszek, H. S. Rathore, C. Reidsema-Simpson, D. D. Snyder, and R. K. Ulrich, The Electrochemical Society Proceedings Series, vol. 98-6, The Electrochemical Society, Pennington, NJ (1999), pp. 232-243.

202. M. R. Gungor, L. J. Gray, S. J. Zhou, and D. Maroudas, “Modeling of Failure in Metallic Thin Films Induced by Stress and Electromigration: A Multiscale Computational Analysis,” in Multiscale Modeling of Materials, edited by T. Diaz de la Rubia, E. Kaxiras, V. Bulatov, N. M. Ghoniem, and R. Phillips, Materials Research Society Symposia Proceedings, vol. 538, Materials Research Society, Warrendale, PA (1999), pp. 263-268.

203. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Multiscale Analysis of Interfacial Stability and Misfit Dislocation Formation in Layer-by-Layer Semiconductor Heteroepitaxy,” in Multiscale Modeling of Materials, edited by T. Diaz de la Rubia, E. Kaxiras, V. Bulatov, N. M. Ghoniem, and R. Phillips, Materials Research Society Symposia Proceedings, vol. 538, Materials Research Society, Warrendale, PA (1999), pp. 335-340.

204. E. S. Aydil, D. Maroudas, D. C. Marra, W. M. M. Kessels, S. Agarwal, S. Ramalingam, S. Sriraman, M. C. M. van de Sanden, and A. Takano, “Atomistic Simulation and In Situ Probing of a-Si:H Plasma Deposition,” Materials Research Society Symposia Proceedings 664, Article No. A1.1, 12 pages (2001).

205. J. Zhao, S. Chantasiriwan, D. Maroudas, and F. Milstein, “Atomistic Simulations of the Mechanical Response and Modes of Failure in Metals at Finite Strain,” Proceedings of the 10th International Conference on Fracture, edited by L. O. Ritchie and K. Ravi-Chandar, Elsevier Science Publishers (2001).

206. S. Agarwal, L. Tagawa, D. Maroudas, E. S. Aydil, M. C. M. van de Sanden, and A. Takano, “Effect of Atomic Deuterium in a-Si:H Thin Films,” Proceedings of Frontiers in Low Temperature Plasma Diagnostics IV, Eindhoven University of Technology, Eindhoven, The Netherlands (2001), p. 91.

207. C. I. Siettos, D. Maroudas, and I. G. Kevrekidis, “Coarse Bifurcation Diagrams via Microscopic Simulators: A State-Feedback Control-Based Approach,” Mediterranean IEEE Control Conference Proceedings, June 2003 Conference in Rhodes, Greece (2003).


208. E. S. Aydil, S. Agarwal, M. S. Valipa, S. Sriraman, and D. Maroudas, “Surface Processes During Growth of Hydrogenated Amorphous Silicon,” Materials Research Society Symposia Proceedings 808, Article No. A5.5, 9 pages (2004).

209. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “The Role of SiH3 Diffusion in Determining the Surface Smoothness of Plasma-Deposited Amorphous Si Thin Films: An Atomic-Scale Analysis,” Materials Research Society Symposia Proceedings 862, Article No. A3.2, 6 pages (2005).

210. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromigration-Induced Void Motion and Surface Oscillation in Metallic Thin-Film Interconnects,” Materials Research Society Symposia Proceedings 863, Article No. B9.8, 6 pages (2005).

211. K. Kolluri, L.A. Zepeda-Ruiz, C.S. Murthy, and D. Maroudas, “Strain Relaxation in Si1-xGex Thin Films on Si(100) Substrates: Modeling and Comparisons with Experiments,” Materials Research Society Symposia Proceedings 875, Article No. O4.21, 6 pages (2005).

212. M. R. Gungor and D. Maroudas, “Atomic-Scale Analysis of Strain Relaxation Mechanisms in Ultra-Thin Metallic Films,” Materials Research Society Symposia Proceedings 880E, Article No. BB2.2/O3.2, 6 pages (2005).

213. M. R. Gungor, J. S. Cho, and D. Maroudas, “Analysis of Electromigration- and Stress-Induced Dynamical Response of Voids Confined in Metallic Thin Films,” Materials Research Society Symposia Proceedings 899E, Article No. N07-17, 6 pages (2006).

214. E. D. Koronaki, M. R. Gungor, C. I. Siettos, and D. Maroudas, “Current-Induced Wave Propagation on Surfaces of Voids in Metallic Thin Films,” Proceedings of the 2nd International Conference on Nonlinear Normal Modes and Localization in Vibrating Systems, June 2006, Karlovasi, Samos, Greece (2006).

215. G. I. Sfyris and D. Maroudas, “Electromigration-Driven Surface Morphological Evolution of Heteroepitaxial Thin Films on Various Types of Deformable Substrates,” Proceedings of the 7th GRACM International Congress on Computational Mechanics, Greek Association of Computational Mechanics (GRACM), June-July 2011, Athens, Greece (2011).

Book Chapters 216. M. Z. Bazant and D. Maroudas, “Overview of Chapter 4: Mathematical Methods,” in

Handbook of Materials Modeling, edited by S. Yip (Springer, Dordrecht, 2005), pp. 1217-1222.

217. D. Maroudas, M. A. Amat, and I. G. Kevrekidis, “Coarse Molecular-Dynamics Analysis of Structural Transitions in Solid Materials,” in Multiscale Modeling: From Atoms to Devices, edited by P. Derosa and T. Cagin, Chapter 4, pp. 69-90 (Taylor & Francis, London, 2010).


INVITED TALKS AT CONFERENCES AND WORKSHOPS 1. D. Maroudas and R. A. Brown, “Modeling of Impurity and Dislocation Dynamics in

Czochralski Grown Silicon and Liquid-Encapsulated-Czochralski Grown III-V Compound Semiconductors,” Gordon Conference on Crystal Growth, March 1990, Oxnard, California.

2. S. T. Pantelides, D. Maroudas, and D. B. Laks, “Defects in Heterogeneous Solids: From Microphysics to Macrophysics,” International Conference on Defects in Semiconductors, July 1993, Gmunden, Austria.

3. R. A. Brown, D. Maroudas, and T. Sinno, “Modeling Point Defect Dynamics in the Crystal Growth of Silicon,” Ninth American Conference on Crystal Growth, August 1993, Baltimore, Maryland.

4. S. T. Pantelides, D. Maroudas, and D. B. Laks, “Theory of Microstructure Evolution in Heterogeneous Materials. From Atoms to Continuum Mechanics,” ASME International Congress and Exposition, November 1994, Chicago, Illinois.

5. D. Maroudas and S. T. Pantelides, “Theory and Computer Simulation of Grain-Boundary and Void Dynamics in Polycrystalline Conductors,” Fifth Symposium on Materials Reliability in Microelectronics, MRS Spring Meeting, April 1995, San Francisco, California.

6. D. Maroudas, E. F. d'Azevedo, L. J. Gray, and S. T. Pantelides, “Theory and Computer Simulation of Microstructure Evolution in Polycrystalline Metallic Thin Films,” Fourth International Symposium on Process Physics and Modeling in Semiconductor Technology, Spring 1996 Meeting of the Electrochemical Society, May 1996, Los Angeles, California.

7. D. Maroudas, L. A. Zepeda-Ruiz, and W. Henry Weinberg, “Interfacial Stability and Misfit Dislocation Formation in Semiconductor Strained-Layer Heteroepitaxy,” Workshop on Quantitative Methods in Materials Research, Institute for Theoretical Physics, University of California, Santa Barbara, February 1997, Santa Barbara, California.

8. D. Maroudas, L. A. Zepeda-Ruiz, and W. Henry Weinberg, “Interfacial Stability and Misfit Dislocation Formation in Semiconductor Heteroepitaxy,” Seventh Conference on Computational Research on Materials, May 1997, Morgantown, West Virginia.

9. D. Maroudas, “Theoretical Analysis and Computer Simulation of Electromigration-Induced Failure of Metallic Thin Films,” Eighth Conference on Computational Research on Materials, May 1998, Morgantown, West Virginia.

10. M. R. Gungor, L. J. Gray, and D. Maroudas, “Self-Consistent Theoretical Analysis of Electromigration-Induced Failure of Metallic Thin Films,” Gordon Research Conference on Thin Film Mechanical Behavior, June 1998, Plymouth, New Hampshire.

11. D. Maroudas, S. Ramalingam, and E. S. Aydil, “Atomic-Scale Modeling of Plasma-Surface Interactions in the PECVD of Silicon,” Symposium on Fundamental Gas-Phase and Surface Chemistry of Vapor-Phase Synthesis, The 194th Meeting of the Electrochemical Society, November 1998, Boston, Massachusetts.

12. D. Maroudas, “Multiscale Modeling of Failure Mechanisms in Metallic Thin-Film Interconnects,” Workshop on Mesoscale Investigations of Materials and Materials Processing Using X-Ray Microbeams, April 1999, San Francisco, California.

13. D. Maroudas, L. A. Zepeda-Ruiz, and W. H. Weinberg, “Strain Relaxation and Interfacial Stability in III-V Semiconductor Heteroepitaxy: Continuum Theory, Atomistic Simulations, and Experimental Measurements,” Mardi Gras Conference on Materials Design: Experimental and Computational Challenges, March 2000, Baton Rouge, Louisiana.

14. D. Maroudas, L. A. Zepeda-Ruiz, R. I. Pelzel, B. Z. Nosho, and W. H. Weinberg, “Strain Relaxation and Interfacial Stability in III-V Semiconductor Strained-Layer Heteroepitaxy: Atomistic & Continuum Modeling and Comparisons with Experiment,” Symposium on


Multiscale Materials Modeling, International Conference of the International Union of Materials Research Societies (IUMRS), July 2000, Hong Kong.

15. D. Maroudas, L. A. Zepeda-Ruiz, and W. H. Weinberg, “Strain Relaxation and Interfacial Stability in III-V Semiconductor Heteroepitaxy: Continuum Theory, Atomistic Simulations, and Experimental Measurements,” Twelfth American Conference on Crystal Growth and Epitaxy (ACCGE-12), August 2000, Vail, Colorado.

16. D. Maroudas, “Multiscale Modeling of Electromechanically-Induced Failure in Metallic Thin Films Used in Microelectronics,” Minisymposium on Multiscale Modeling: Fundamentals and Applications, SIAM Conference on Computational Science and Engineering, September 2000, Washington, D.C.

17. D. Maroudas, “Multiscale Theory and Simulation of Electromechanically-Induced Failure in Ductile Metallic Thin Films,” APS Division of Computational Physics Annual Meeting, June 2001, Cambridge, Massachusetts.

18. D. Maroudas, “Challenges and Recent Advances in the Modeling of Plasma Deposition of Silicon Thin Films,” Centre Europeen pour le Calcul Atomique et Moleculaire (CECAM) Workshop on Multiscale Modeling of Materials: Methods, Algorithms, and Unsolved Problems, July 2001, Heraklion, Crete, Greece.

19. D. Maroudas, “Plasma Deposition of Silicon Thin Films: Atomic-Scale Modeling of Radical-Surface Interactions,” Symposium on Modeling of Plasma-Surface Interactions, American Vacuum Society (AVS) 48th International Symposium and IUVSTA 15th International Vacuum Congress & 11th International Congress on Solid Surfaces, October 2001, San Francisco, California.

20. S. Sriraman, E. S. Aydil, and D. Maroudas, “Understanding Radical-Surface Interactions in Plasma-Enhanced Chemical Vapor Deposition of Silicon Thin Films through Atomistic Simulations,” New Mexico Local Section of the AVS, May 2002, Albuquerque, New Mexico.

21. D. Maroudas, “Multiscale Modeling,” NRC Workshop on Challenges for the Chemical Sciences in the 21st Century: Information and Communications, National Academies of Sciences, October/November 2002, Washington, D.C.

22. D. Maroudas, “Recent Contributions of Molecular Simulation to the Modeling of Electronic Materials Processing and Reliability,” Foundations of Molecular Modeling and Simulation (FOMMS) 2003 Meeting, July 2003, Keystone, Colorado.

23. S. Agarwal, S. Sriraman, A. Takano, M. C. M. Van de Sanden, D. Maroudas, and E. S. Aydil, “Understanding Radical-Surface Interactions in the Plasma-Assisted Deposition of Amorphous Hydrogenated Silicon,”AVS 50th International Symposium, November 2003, Baltimore, Maryland.

24. D. Maroudas, “Multiscale Modeling: Status and Opportunities in Research and Education,” CAST Division Plenary Talk, AIChE Annual Meeting, November 2003, San Francisco, California.

25. D. Maroudas, S. Sriraman, S. Agarwal, M. S. Valipa, and E. S. Aydil, “Atomic-Scale Modeling of Plasma Deposition of Silicon Thin Films,” Session on Plasma Processing I, AIChE Annual Meeting, November 2003, San Francisco, California.

26. D. Maroudas, M. S. Valipa, S. Sriraman, and E. S. Aydil, “Atomistic Modeling of Nanocrystalline Silicon Synthesis,” 3rd International Conference on Computational Modeling and Simulation of Materials, May-June 2004, Acireale (Catania), Sicily, Italy.

27. D. Maroudas, “Multiscale Modeling of Materials Processing and Function,” Session on Simulation and Control of Multiscale Processes, American Control Conference, June 2004, Boston, Massachusetts.


28. D. Maroudas, “Analysis of Electromigration-Driven Void Surface Dynamics and Failure in Metallic Thin Films”, International Workshop on Energy Dissipation at Surfaces, September 2004, Wesseling, Germany.

29. D. Maroudas, “Analysis of Electromechanically-Induced Defect Dynamics and Failure in Metallic Thin Films,” Stratis V. Sotirchos Memorial Session, AIChE Annual Meeting, November 2004, Austin, Texas.

30. T. Bakos, M. S. Valipa, and D. Maroudas, “Chemical Reactions and Diffusion of Growth Precursors on Plasma-Deposited Silicon Thin-Film Surfaces,” Minisymposium on The Impact of Materials Chemistry on Materials Performance, U. S. National Congress on Computational Mechanics (USNCCM8), July 2005, Austin, Texas.

31. D. Maroudas, “Multiscale Modeling of Materials Processing and Function,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

32. V. Tomar, J. S. Cho, M. R. Gungor, and D. Maroudas, “Electromechanically-Driven Complex Morphological Evolution of Void Surfaces in Metallic Thin Films,” CAST Division Plenary Talk, AIChE Annual Meeting, November 2006, San Francisco, California.

33. D. Maroudas, “Materials Surface Engineering by Simultaneous Action of Multiple External Forces,” AIChE CAST Division Web Seminar, September 2007.

34. D. Maroudas, “Surface Engineering by Simultaneous Action of Multiple External Fields,” First Program Meeting on Physical Behavior of Materials, U.S. Department of Energy, Office of Basic Energy Sciences, March 2008, Warrenton, Virginia.

35. E. S. Aydil, M. J. Behr, T. Singh, A. R. Muniz, and D. Maroudas, “Hydrogen Induced Transformation of Carbon Nanotubes to Diamond and New Carbon Allotropes at Room Temperature,” Gordon Research Conference on Plasma Processing Science, July 2008, South Hadley, Massachusetts.

36. D. Maroudas, “Modeling Plasma-Surface Interactions and Their Role in Inducing Structural Transitions in Materials,” Special session to honor Professor Herbert H. Sawin, AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

37. D. Maroudas, “Thin Films and Nanostructures of Hard Materials: Progress Made and Current Challenges in the Computational Modeling of Their Processing and Function,” Invited Centennial Session on Applied Mathematics and Chemical Engineering – Past 100 Years and the Future, AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

38. V. Tomar, K. Kolluri, M. R. Gungor, and D. Maroudas, “Surface Morphological Response of Crystalline Solids to Mechanical Stresses and Electric Fields,” Symposium on Multiphysics Materials Modeling from Atoms to Continuum in honor of Professor Sidney Yip, 10th U.S. National Congress for Computational Mechanics, July 2009, Columbus, Ohio.

39. A. R. Muniz, T. Singh, and D. Maroudas, “Effects of Hydrogen Chemisorption on the Structure and Deformation of Carbon Nanotubes,” Symposium on Multiphysics Materials Modeling from Atoms to Continuum in honor of Professor Sidney Yip, 10th U.S. National Congress for Computational Mechanics, July 2009, Columbus, Ohio.

40. D. Maroudas, “Surface Engineering by Simultaneous Action of Multiple External Fields,” Second Program Meeting on Physical Behavior of Materials, U.S. Department of Energy, Office of Basic Energy Sciences, March 2011, Warrenton, Virginia.

41. D. Maroudas, “Surface Morphological Response of Crystalline Solids to Mechanical Stresses and Electric Fields,” 7th GRACM International Congress on Computational Mechanics, Greek Association of Computational Mechanics (GRACM), June-July 2011, Athens, Greece.

42. D. Maroudas, “Design of New Nanomaterials with Optimal Electronic Function Using Computational Nanoscience,” Symposium to honor the 2010 Wilhelm Award Recipient


(Prof. I. G. Kevrekidis), AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

43. D. Maroudas, “Surface Engineering by Simultaneous Action of Multiple External Fields,” Third Principal Investigators’ Meeting on Physical Behavior of Materials, U.S. Department of Energy, Office of Basic Energy Sciences, April 2013, Potomac, Maryland.

44. A. R. Muniz, A. S. Machado, and D. Maroudas, “Mechanical Behavior of Diamond Superlattices Generated by Interlayer Covalent Bonding in Twisted Bilayer Graphene,” MRS Fall Meeting, December 2013, Boston, Massachusetts.

45. D. Maroudas, “Theoretical Studies of Structure-Property Relations in Graphene-based Carbon Nanostructures,” APS March Meeting, March 2014, Denver, Colorado.

46. D. Maroudas, “Current-Driven Surface Morphological Stabilization and Surface Nanopatterning,” Workshop on Microstructural Functionality: Dynamics, Adaption, and Self-Healing at the Nanoscale, April 2014, Duisburg, Germany.

47. D. Maroudas, “Analysis of External-field-driven Surface Morphological Evolution: Stabilization and Nanopatterning,” AIChE Area 10D Plenary Session (Future Directions in Applied Mathematics and Numerical Analysis), AIChE Annual Meeting, November 2014, Atlanta, Georgia.

48. D. Maroudas, “External-Field-Driven Surface Stabilization and Patterning,” 2015 Physical Behavior of Materials Principal Investigators’ Meeting, Division of Materials Sciences and Engineering, DOE Office of Basic Energy Sciences, March-April 2015, Gaithesburg, Maryland.

49. D. Maroudas, “External-Field-Driven Stabilization and Patterning of Materials Surfaces,” Minisymposium on Growth, Instabilities and Evolutions of Thin Films and Micor/Nanostructures, SIAM Conference on Mathematical Aspects of Materials Science, May 2016, Philadelphia, Pennsylvania.


INVITED SEMINARS AND COLLOQUIA 1. D. Maroudas, “Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown

from the Melt,” Physical Sciences Seminar, IBM T. J. Watson Research Center, February 1992, Yorktown Heights, New York.

2. D. Maroudas, “Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown from the Melt,” Chemical Engineering Departmental Seminar, University of Illinois at Urbana-Champaign, February 1992, Urbana-Champaign, Illinois.

3. D. Maroudas, “Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown from the Melt,” Chemical Engineering Departmental Seminar, University of California, Santa Barbara, March 1992, Santa Barbara, California.

4. D. Maroudas, “Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown from the Melt,” Chemical Engineering Departmental Seminar, University of California, Berkeley, March 1992, Berkeley, California.

5. D. Maroudas, “Dynamics of Point and Line Defects in Single Semiconductor Crystals Grown from the Melt,” Chemical Engineering Departmental Seminar, The Johns Hopkins University, March 1992, Baltimore, Maryland.

6. D. Maroudas, “Theoretical and Computer-Simulation Studies of Damage Formation and Propagation in Semiconductors, Metallic Thin Films, and Structural Alloys,” Chemical Engineering Departmental Colloquium, University of California, Berkeley, October 1995, Berkeley, California.

7. D. Maroudas, “Analysis of Damage Formation and Structural Evolution in Semiconductors and Metallic Thin Films,” Solid-State Division Seminar, Oak Ridge National Laboratory, February 1996, Oak Ridge, Tennessee.

8. D. Maroudas, “Analysis of Damage Formation and Structural Evolution in Semiconductors and Metallic Thin Films,” Division of Chemistry and Materials Science Seminar, Lawrence Livermore National Laboratory, March 1996, Livermore, California.

9. D. Maroudas, “Analysis of Damage Formation and Structural Evolution in Semiconductors and Metallic Thin Films,” Chemical Engineering Departmental Seminar, University of California, Santa Barbara, May 1996, Santa Barbara, California.

10. D. Maroudas, S. Ramalingam, and E. S. Aydil, “Atomic-Scale and Multi-Scale Modeling of Plasma-Surface Interactions and Plasma-Enhanced Chemical Vapor Deposition,” Device & Process Modeling and Nanotechnology Seminar, NASA Ames Research Center, February 1997, Moffett Field, California.

11. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Silicon Science and Technology Division Colloquium, IBM T. J. Watson Research Center, December 1997, Yorktown Heights, New York.

12. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Computational Materials Physics Seminar, Department of Physics and Division of Engineering and Applied Sciences, Harvard University, December 1997, Cambridge, Massachusetts.

13. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Seminar, Princeton University, February 1998, Princeton, New Jersey.

14. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering & Materials


Science Departmental Seminar, University of Minnesota, April 1998, Minneapolis, Minnesota.

15. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Seminar, Massachusetts Institute of Technology, April 1998, Cambridge, Massachusetts.

16. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Colloquium, University of Illinois at Urbana-Champaign, September 1998, Urbana-Champaign, Illinois.

17. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Mechanical & Environmental Engineering Departmental Seminar, University of California, Santa Barbara, November 1998, Santa Barbara, California.

18. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Colloquium, Stanford University, November 1998, Stanford, California.

19. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Colloquium, University of Wisconsin, April 1999, Madison, Wisconsin.

20. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Seminar, California Institute of Technology, October 1999, Pasadena, California.

21. D. Maroudas, “Multiscale Modeling of Hard-Material Thin Films,” Materials Modeling Seminar, Massachusetts Institute of Technology, September 2000, Cambridge, Massachusetts.

22. D. Maroudas, “Void Dynamics in Metallic Thin Films,” Transport Phenomena Seminar, Massachusetts Institute of Technology, September 2000, Cambridge, Massachusetts.

23. D. Maroudas, “Morphological Instabilities on Surfaces of Voids in Metallic Thin Films,” Physical Mathematics Seminar, Massachusetts Institute of Technology, October 2000, Cambridge, Massachusetts.

24. D. Maroudas, “Atomic-Scale Analysis of Radical-Surface Interactions in the Plasma Deposition of Silicon Thin Films,” Molecular Modeling & Simulation Seminar, Massachusetts Institute of Technology, November 2000, Cambridge, Massachusetts.

25. D. Maroudas, “Structure, Surface Reactivity, and Reliability of Metallic and Semiconductor Thin Films: A Computational Materials Science Study,” Chemical Engineering Departmental Seminar, University of Massachusetts, Amherst, February 2001, Amherst, Massachusetts.

26. D. Maroudas, “Multiscale Modeling of Bulk and Thin-Film Structures of Hard Materials: Structural Stability, Surface Reactivity, and Mechanical Reliability,” Complex Materials Seminar, Princeton Materials Institute, March 2001, Princeton, New Jersey.

27. D. Maroudas, “Multiscale Modeling of Electromechanically-Induced Failure of Ductile Metallic Thin Films,” Materials Theory Seminar, Princeton Materials Institute, March 2001, Princeton, New Jersey.

28. D. Maroudas, “Continuum and Atomistic Modeling of Electromechanically-Induced Failure of Ductile Metallic Thin Films,” Continuum Mechanics Seminar, Massachusetts Institute of Technology, May 2001, Cambridge, Massachusetts.


29. D. Maroudas, “Multiscale Modeling of Hard Materials: Structural Stability, Surface Reactivity, and Mechanical Reliability,” Chemical Engineering Departmental Seminar, Massachusetts Institute of Technology, May 2001, Cambridge, Massachusetts.

30. D. Maroudas, “Multiscale Modeling of Hard Materials: Structural Stability, Surface Reactivity, and Mechanical Reliability,” Chemical Engineering Departmental Seminar, Northwestern University, May 2001, Evanston, Illinois.

31. D. Maroudas, “Multiscale Modeling of Thin-Film Materials Used in Electronic Device Fabrication,” Chemical Engineering Departmental Seminar, University of Massachusetts, Amherst, October 2001, Amherst, Massachusetts.

32. D. Maroudas, “Multiscale Modeling of Hard Materials: Structural Stability, Surface Reactivity, and Mechanical Reliability,” Chemical Engineering Departmental Seminar, State University of New York at Buffalo, November 2001, Buffalo, New York.

33. D. Maroudas, “Multiscale Modeling of Hard Materials: Structural Stability, Surface Reactivity, and Mechanical Reliability,” Chemical Engineering Departmental Seminar, University of Delaware, November 2001, Newark, Delaware.

34. D. Maroudas, “Computational Modeling of Hard Materials: Some Old and Some New Challenges,” Chemical Engineering Departmental Seminar, University of California, Santa Barbara, December 2001, Santa Barbara, California.

35. D. Maroudas, “Computational Modeling of Hard Materials: Some Old and Some New Challenges,” Physics Departmental Seminar, California State University at Northridge, December 2001, Northridge, California.

36. D. Maroudas, “Computational Modeling of Hard Materials: Some Old and Some New Challenges,” Chemical Engineering Departmental Seminar, University of California, Los Angeles, January 2002, Los Angeles, California.

37. D. Maroudas, “Multiscale Modeling,” United Technologies Research Center, March 2003, E. Hartford, Connecticut.

38. D. Maroudas, “Multiscale Modeling of Complex Systems: Status, Challenges, and Opportunities,” Process Systems Engineering Consortium, University of Massachusetts, Amherst, June 2003, Amherst, Massachusetts.

39. D. Maroudas, “Analysis of Electromechanically-Induced Failure of Metallic Thin Films Mediated by Void Dynamics,” Workshop on Aging and Long-Term Reliability of Microelectronics Materials and Devices, Vanderbilt University, October 2003, Nashville, Tennessee.

40. D. Maroudas, “Some Recent Modeling Contributions to Problems of Electronic Materials Mechanical Behavior,” IBM T. J. Watson Research Center, October 2004, Yorktown Heights, New York.

41. D. Maroudas, “Multiscale Modeling of Electronic Materials Processing and Function,” Chemical & Biomolecular Engineering Departmental Seminar, University of Pennsylvania, December 2004, Philadelphia, Pennsylvania.

42. D. Maroudas, “Modeling of Electromechanically-Induced Defect Dynamical Phenomena in Metallic Thin Films,” Chemical Engineering & Materials Science Departmental Seminar, University of Minnesota, February 2005, Minneapolis, Minnesota.

43. D. Maroudas, “Surface Reactivity, Roughness, and Crystallinity of Plasma-Deposited Silicon Thin Films,” Chemical Engineering & Materials Science Departmental Seminar, University of Minnesota, September 2005, Minneapolis, Minnesota.


44. D. Maroudas, “Modeling of Electromechanically-Induced Defect Dynamical Phenomena in Metallic Thin Films,” Chemical Engineering Departmental Seminar, Stanford University, October 2005, Stanford, California.

45. D. Maroudas, “Modeling of Electromechanically-Induced Defect Dynamical Phenomena in Metallic Thin Films,” Chemical and Biological Engineering Departmental Seminar, Tufts University, November 2005, Medford, Massachusetts.

46. D. Maroudas, “Modeling of Electromechanically-Induced Defect Dynamical Phenomena in Metallic Thin Films,” Chemical Engineering Departmental Seminar, Iowa State University, March 2006, Ames, Iowa.

47. D. Maroudas, “Surface Reactivity, Roughness, and Crystallinity of Plasma-Deposited Silicon Thin Films,” Computational Materials Physics Seminar, Department of Physics and Astronomy, Vanderbilt University, October 2006, Nashville, Tennessee.

48. D. Maroudas, “Modeling of Electromechanically-Induced Defect Dynamical Phenomena in Metallic Thin Films,” Chemical and Biomolecular Engineering Departmental Seminar, University of Maryland, December 2006, College Park, Maryland.

49. D. Maroudas, M. A. Amat, and I. G. Kevrekidis, “Coarse Molecular-Dynamics Analysis of Structural Transitions in Condensed Matter,” United Technologies Research Center, March 2007, E. Hartford, Connecticut.

50. D. Maroudas, “Surface Morphological Evolution by Simultaneous Action of Multiple External Forces,” Applied Mathematics Seminar, University of Massachusetts Amherst, October 2007, Amherst, Massachusetts.

51. D. Maroudas, “Materials Surface Engineering by Simultaneous Action of Multiple External Forces,” Chemical Engineering Departmental Seminar, Colorado School of Mines, November 2007, Golden, Colorado.

52. D. Maroudas, “Surface Reactivity, Roughness, and Composition of Plasma-Deposited Silicon Thin Films,” Meeting of the Connecticut River Valley Quantum Chemistry Group, December 2007, Amherst, Massachusetts.

53. D. Maroudas, “Surface Morphological Response of Crystalline Solids to Mechanical Stresses and Electric Fields,” Symposium on Recent Advances in Materials Physics in honor of Professor Sokrates T. Pantelides, Vanderbilt University, April 2009, Nashville, Tennessee.

54. D. Maroudas, “Computational Modeling of Nanostructured Materials,” Saint-Gobain Northboro Research Center, October 2009, Northboro, Massachusetts.

55. D. Maroudas, “Design of New Materials Using Computational Nanoscience,” Materials Science and Engineering Departmental Seminar, Drexel University, January 2012, Philadelphia, Pennsylvania.

56. D. Maroudas, “Design of New Materials Using Computational Nanoscience,” Materials Science and Engineering Departmental Seminar, University of Illinois at Urbana-Champaign, October 2013, Urbana-Champaign, Illinois.

57. D. Maroudas, “Modeling Charge Transport in Organic Photovoltaic Devices,” Spring 2014 Polymer Event, University of Massachusetts, May 2014, Amherst, Massachusetts.

58. D. Maroudas, “Theoretical Studies of Structure-Property Relations in Graphene-Based Carbon Nanomaterials,” Division of Materials Science and Engineering Seminar, Boston University, October 2014, Boston, Massachusetts.

59. D. Maroudas, “Theoretical Studies of Structure-Property Relations in Graphene-Based Carbon Nanomaterials,” Cabot Corporation Business and Technology Center Research Seminar, January 2015, Billerica, Massachusetts.


60. D. Maroudas, “Computational Materials Science Studies of Surface Engineering and Optimal Design of 2D Metamaterials,” High-Performace Computing Seminar, University of Massachusetts, April 2015, Amherst, Massachusetts.

61. D. Maroudas, “Computational Studies of External-Field-Driven Surface Engineering and Optimal Design of Graphene-based Nanomaterials,” Penn Institute for Computational Science (PICS) and Applied Mathematics and Computational Science (AMCS) Colloquium, University of Pennsylvania, March 2016, Philadelphia, Pennsylvania.


CONTRIBUTED PRESENTATIONS 1. D. Maroudas and R. A. Brown, “Constitutive Modeling of Point-Defect Diffusion in Cubic-

Type Lattices,” AIChE Annual Meeting, November 1989, San Francisco, California. 2. D. Maroudas and R. A. Brown, “Diffusion of Point Defects in a Stressed Simple Cubic

Crystal,” Symposium on Defects and Diffusion in Semiconductors: Bulk and Layered Structures, MRS Fall Meeting, November 1989, Boston, Massachusetts.

3. D. Maroudas and R. A. Brown, “Use of the Haasen Model for Prediction of Dislocation Formation in Semiconductor Crystals Grown from the Melt,” Eighth American Conference on Crystal Growth, July 1990, Vail Colorado.

4. D. Maroudas and R. A. Brown, “Analysis of Oxygen Gettering and Dislocation Locking in Silicon,” Solar Energy Research Institute (SERI) Workshop on the Role of Point Defects and Defect Complexes in Silicon Device Fabrication, August 1990, Keystone, Colorado.

5. D. Maroudas and R. A. Brown, “Prediction of Dislocation Formation in Semiconductor Crystals Grown from the Melt Based on Models of Plastic Deformation Dynamics,” AIChE Annual Meeting, November 1990, Chicago, Illinois.

6. D. Maroudas and R. A. Brown, “Analysis of Oxygen Gettering and Dislocation Locking in Silicon,” Symposium on Defects in Materials, MRS Fall Meeting, November 1990, Boston, Massachusetts.

7. D. Maroudas and R. A. Brown, “Analysis of the Effects of Oxygen on Dislocation Motion in Silicon,” Second Symposium on Defects in Silicon, Spring Meeting of the Electrochemical Society, May 1991, Washington, DC.

8. D. Maroudas and R. A. Brown, “Constitutive Modeling of the Effects of Oxygen on the Deformation Behavior of Czochralski Grown Silicon,” AIChE Annual Meeting, November 1991, Los Angeles, California.

9. D. Maroudas and R. A. Brown, “Atomistic Simulations of Point Defect Properties in Silicon,” Symposium on Computational Methods in Materials Science, MRS Spring Meeting, April 1992, San Francisco, California.

10. D. Maroudas and R. A. Brown, “Atomistic Calculations of Formation and Migration Properties of Intrinsic Point Defects in Silicon,” AIChE Annual Meeting, November 1992, Miami Beach, Florida.

11. D. Maroudas and S. T. Pantelides, “Theoretical Studies of Electromigration in Polycrystalline Metal Stripes,” APS March Meeting, March 1993, Seattle, Washington.

12. D. Maroudas and S. T. Pantelides, “Theoretical Studies of Electromigration in Polycrystalline Metal Stripes,” Third Symposium on Materials Reliability in Microelectronics, MRS Spring Meeting, April 1993, San Francisco, California.

13. D. Maroudas and S. T. Pantelides, “Theoretical and Computational Studies of Electromigration in Polycrystalline Conductor Lines,” AIChE Annual Meeting, November 1993, St. Louis, Missouri.

14. D. B. Laks, D. Maroudas, and S. T. Pantelides, “Diffusive Creep in Polycrystals,” Symposium on Mechanisms of Thin Film Evolution, MRS Fall Meeting, November 1993, Boston, Massachusetts.

15. D. B. Laks, D. Maroudas, and S. T. Pantelides, “Diffusive Phenomena in Polycrystals,” APS March Meeting, March 1994, Pittsburgh, Pennsylvania.


16. D. B. Laks, D. Maroudas, and S. T. Pantelides, “Quantitative Calculations of Diffusive Phenomena in Polycrystals,” Symposium on Theory and Simulation of Time-Dependent Processes in Materials, MRS Spring Meeting, April 1994, San Francisco, California.

17. D. Maroudas and R. A. Brown, “Atomic-scale Calculations of Thermodynamic and Transport Properties of Intrinsic Point Defects in Silicon,” Symposium on Computer Simulation of Radiation Effects in Solids (COSIRES '94), July 1994, Santa Barbara, California.

18. D. Maroudas, D. B. Laks, and S. T. Pantelides, “Grain-Boundary Dynamics and Mass Transport in Polycrystalline Conductors Under Stress,” AIChE Annual Meeting, November 1994, San Francisco, California.

19. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Properties of Point Defects and Interstitial Clusters in bcc Iron,” Sixth Meeting of the International Group on Radiation Damage Mechanisms, September 1995, Prague, The Czech Republic.

20. D. Maroudas, B. Meng, and W. H. Weinberg, “Ab Initio Molecular-Dynamics Modeling of Microscopic Bulk and Surface Processes in Semiconductors,” AIChE Annual Meeting, November 1995, Miami Beach, Florida.

21. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Atomic-Scale Simulation of the Dynamics of Point Defects and Point Defect Clusters in Iron,” AIChE Annual Meeting, November 1995, Miami Beach, Florida (Best Student Poster Award of the Materials Engineering and Sciences Division of AIChE to B. D. Wirth).

22. D. Maroudas, M. N. Enmark, and C. M. Leibig, “Modeling of Grain-Boundary and Void Dynamics in Bamboo-Structure Aluminum Interconnects,” AIChE Annual Meeting, November 1995, Miami Beach, Florida.

23. D. Maroudas and M. E. Barone, “Atomic-Scale Computer Simulation of Defect-Induced Amorphization in Silicon,” AIChE Annual Meeting, November 1995, Miami Beach, Florida.

24. B. Z. Nosho, V. Bressler-Hill, S. Varma, W. H. Weinberg, and D. Maroudas, “Initial Stages of InAs Epitaxy on GaAs(001): Experimental Results and Monte Carlo Simulations,” AIChE Annual Meeting, November 1995, Miami Beach, Florida.

25. D. Maroudas, M. N. Enmark, and C. M. Leibig, “Analysis of Damage Formation and Propagation in Metallic Thin Films Under the Action of Thermal Stresses and Electric Fields,” Workshop on Modeling of Industrial Materials: Connecting Atomistic and Continuum Scales, Institute for Theoretical Physics, University of California, Santa Barbara, January 1996, Santa Barbara, California.

26. D. Maroudas, M. E. Barone, and B. Meng, “Defect-Induced Amorphization of Crystalline Silicon as a Mechanism of Disordered-Region Formation During Ion Implantation,” Workshop on Modeling of Industrial Materials: Connecting Atomistic and Continuum Scales, Institute for Theoretical Physics, University of California, Santa Barbara, January 1996, Santa Barbara, California.

27. G. R. Odette, B. D. Wirth, D. Maroudas, G. E. Lucas, and C.-L. Liu, “Microstructure Evolution in Pressure-Vessel Steels,” Workshop on Modeling of Industrial Materials: Connecting Atomistic and Continuum Scales, Institute for Theoretical Physics, University of California, Santa Barbara, January 1996, Santa Barbara, California.

28. D. Maroudas, “Electronic Materials Process Modeling: Needs and Recommendations,” Extended Summary Report of Working Team on Electronic Materials Process Modeling, Workshop on Modeling of Industrial Materials: Connecting Atomistic and Continuum Scales, Institute for Theoretical Physics, University of California, Santa Barbara, January 1996, Santa Barbara, California.


29. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Migration of Interstitial Clusters in α-Iron,” TMS Annual Meeting, February 1996, Anaheim, California.

30. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Interstitial Migration and Interactions in Iron,” TMS Annual Meeting, February 1996, Anaheim, California.

31. D. Maroudas, M. E. Barone, and B. Meng, “Atomic-Scale Simulation of Defect-Induced Amorphization of Crystalline Silicon,” Fourth International Symposium on Process Physics and Modeling in Semiconductor Technology, Spring 1996 Meeting of the Electrochemical Society, May 1996, Los Angeles, California.

32. B. D. Wirth, G. R. Odette, D. Maroudas, C.-L. Liu, and G. E. Lucas, “Atomic-Scale Modeling of Cascade Ageing in Iron,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

33. D. Maroudas, M. E. Barone, and B. Meng, “Atomic-Scale Analysis of Ion-Beam-Induced Amorphization Damage in Silicon,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

34. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Structure and Properties of Strained-Layer Superlattices of III-V Compound Semiconductors,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

35. D. Maroudas, H. L. Ludtke, and S. Ramalingam, “Nonlinear Analysis of the Structural Stability of Metals and Covalent Solids Under Stress,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

36. D. Maroudas and M. N. Enmark, “Modeling of Damage Formation and Propagation in Aluminum Thin-Film Interconnects,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

37. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Study of the Interactions with a Silicon Surface of Reactive Species from a Silane/Hydrogen Plasma,” AIChE Annual Meeting, November 1996, Chicago, Illinois.

38. L. J. Gray, D. Maroudas, M. N. Enmark, and E. F. D'Azevedo, “Analysis of Microvoid Formation, Stability, and Dynamics in Aluminum Thin-Film Interconnects,” Second SIAM Conference on Mathematical Aspects of Materials Science, May 1997, Philadelphia, Pennsylvania.

39. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Computational Atomic-Scale Study of the Reactivity of Molecular Fragments from SiH4/H2 Plasma with Amorphous Silicon Surfaces,” The 1997 Joint International Meeting of the Electrochemical Society and the International Society of Electrochemistry, September 1997, Paris, France.

40. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Interactions of Molecular Fragments from Silane/Hydrogen Plasma with Silicon Surfaces: An Atomic-Scale Computational Study,” 44th Annual Symposium of the American Vacuum Society, October 1997, San Jose, California.

41. G. R. Odette, B. D. Wirth, D. Maroudas, G. E. Lucas, and C.-L. Liu, “Atomistic Modeling Issues in Cascade Aging,” Eighth International Conference on Fusion Reactor Materials (ICFRM-8), October 1997, Tokyo, Japan.

42. D. Maroudas, M. N. Enmark, and L. J. Gray, “Simulation of Failure Mechanisms During Thermal Processing and Electromigration Testing of Metallic Thin-Film Interconnects,” AIChE Annual Meeting, November 1997, Los Angeles, California.

43. L. A. Zepeda-Ruiz, D. Maroudas, and W. Henry Weinberg, “Interfacial Stability and Misfit Dislocation Formation in InAs/GaAs(110) Heteroepitaxy,” AIChE Annual Meeting, November 1997, Los Angeles, California.


44. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Structure, Energetics, and Dynamics of Self-Interstitial Clusters in Irradiated Iron,” AIChE Annual Meeting, November 1997, Los Angeles, California.

45. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of the Reactivity of Molecular Fragments from Silane/Hydrogen Plasmas with Surfaces of Hydrogenated Amorphous Silicon Films,” AIChE Annual Meeting, November 1997, Los Angeles, California.

46. D. Maroudas, S. Ramalingam, and E. S. Aydil, “Atomic-Scale Modeling of Interactions Between Plasmas and Silicon Surfaces and Plasma-Enhanced Chemical Vapor Deposition of Silicon Films,” AIChE Annual Meeting, November 1997, Los Angeles, California.

47. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of the Reactivity of Radicals from Silane/Hydrogen Plasmas with Silicon Surfaces,” MRS Fall Meeting, December 1997, Boston, Massachusetts.

48. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Interfacial Stability and Misfit Dislocation Formation in InAs/GaAs Heteroepitaxy,” MRS Fall Meeting, December 1997, Boston, Massachusetts.

49. D. Maroudas, M. R. Gungor, H. S. Ho, and M. N. Enmark, “Theoretical Analysis of Electromigration-Induced Failure of Metallic Thin Films,” MRS Fall Meeting, December 1997, Boston, Massachusetts.

50. B. D. Wirth, G. R. Odette, D. Maroudas, and G. E. Lucas, “Simulation of Interstitial Cluster Mobility and Cluster Mediated Surface Topologies,” MRS Fall Meeting, December 1997, Boston, Massachusetts.

51. M. R. Gungor, H. S. Ho, and D. Maroudas, “Analysis of Electromigration-Induced Evolution of Void Morphology in Unpassivated Thin-Film Interconnects,” APS March Meeting, March 1998, Los Angeles, California.

52. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of Surface Reaction Mechanisms in the Plasma-Enhanced Chemical Vapor Deposition of Silicon Thin Films,” APS March Meeting, March 1998, Los Angeles, California.

53. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Interfacial Stability and Surface Morphology in Layer-By-Layer Semiconductor Heteroepitaxy,” APS March Meeting, March 1998, Los Angeles, California.

54. M. R. Gungor, L. J. Gray, and D. Maroudas, “Analysis of Failure in Metallic Thin-Film Interconnects Due to Stress and Electromigration-Induced Void Propagation,” MRS Spring Meeting, April 1998, San Francisco, California.

55. H. S. Ho, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Faceted Void Dynamics in Metallic Thin Films Under Electromigration Conditions,” MRS Spring Meeting, April 1998, San Francisco, California.

56. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Interfacial Stability and Surface Morphology in Layer-By-Layer Semiconductor Heteroepitaxy,” MRS Spring Meeting, April 1998, San Francisco, California.

57. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of Plasma-Enhanced Chemical Vapor Deposition from Silane/Hydrogen Plasmas on Silicon Substrates,” MRS Spring Meeting, April 1998, San Francisco, California.

58. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Interfacial Stability and Misfit Dislocation Formation in Layer-by-Layer Semiconductor Heteroepitaxy,” Gordon Research Conference on Thin Film Mechanical Behavior, June 1998, Plymouth, New Hampshire.


59. D. Maroudas, M. R. Gungor, H. S. Ho, and L. J. Gray, “Modeling of Electromigration-Induced Failure of Metallic Thin-Film Interconnects,” Symposium on Interconnect and Contact Metallization: Materials, Processes, and Reliability, The 194th Meeting of the Electrochemical Society, November 1998, Boston, Massachusetts.

60. D. C. Marra, S. Ramalingam, E. Edelberg, D. Maroudas, and E. S. Aydil, “Surface Reactions and Hydrogen Coverage on Plasma Deposited Hydrogenated Amorphous Silicon and Nanocrystalline Silicon Surfaces,” 45th Annual Symposium of the AVS, November 1998, Baltimore, Maryland.

61. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomistic Simulation of Plasma Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon Films,” 45th Annual Symposium of the AVS, November 1998, Baltimore, Maryland.

62. M. R. Gungor, D. Maroudas, and L. J. Gray, “Thermal Processing and Failure due to Current-Driven Mass Transport of Metallic Thin-Film Interconnects,” AIChE Annual Meeting, November 1998, Miami Beach, Florida.

63. D. Maroudas, H. S. Ho, M. R. Gungor, and L. J. Gray, “Analysis of Electromigration-Induced Morphological Evolution of Processing Related Defects in Metallic Thin-Film Interconnects,” AIChE Annual Meeting, November 1998, Miami Beach, Florida.

64. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Misfit Dislocation Formation and Surface Morphology in Layer-by-Layer Semiconductor Heteroepitaxy,” AIChE Annual Meeting, November 1998, Miami Beach, Florida.

65. L. A. Zepeda-Ruiz, B. Z. Nosho, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Kinetic Analysis of Strain Relaxation through Misfit Dislocation Formation in the Growth of Epitaxial Films on Compliant Substrates,” AIChE Annual Meeting, November 1998, Miami Beach, Florida (Best Student Poster Award of the Materials Engineering and Sciences Division of AIChE to L. A. Zepeda-Ruiz).

66. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of Surface Reaction Mechanisms during Plasma Deposition from Silane Discharges on Silicon Substrates,” AIChE Annual Meeting, November 1998, Miami Beach, Florida.

67. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Atomic-Scale Analysis of Plasma-Enhanced Chemical Vapor Deposition of Si Films from Silane/Hydrogen Discharges,” AIChE Annual Meeting, November 1998, Miami Beach, Florida.

68. M. R. Gungor, H. S. Ho, and D. Maroudas, “Self-Consistent Theoretical Analysis of Void Morphological Evolution in Metallic Thin Films Under Stress and Surface Electromigration Conditions,” MRS Fall Meeting, December 1998, Boston, Massachusetts.

69. L. A. Zepeda-Ruiz, B. Z. Nosho, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Kinetics of Strain Relaxation Through Misfit Dislocation Formation in Layer-by-Layer Semiconductor Heteroepitaxy,” MRS Fall Meeting, December 1998, Boston, Massachusetts.

70. M. R. Gungor, L. J. Gray, S. J. Zhou, and D. Maroudas, “Modeling of Failure in Metallic Thin Films Induced by Stress and Electromigration: A Multiscale Computational Analysis,” MRS Fall Meeting, December 1998, Boston, Massachusetts.

71. L. A. Zepeda-Ruiz, D. Maroudas, and W. H. Weinberg, “Multiscale Analysis of Interfacial Stability and Misfit Dislocation Formation in Layer-by-Layer Semiconductor Heteroepitaxy,” MRS Fall Meeting, December 1998, Boston, Massachusetts.

72. M. R. Gungor, H. S. Ho, and D. Maroudas, “Modeling of Electromigration-Induced Failure of Metallic Thin-Film Interconnects,” National Science Foundation CAREER Principal Investigator Meeting, January 1999, Washington, D.C.


73. M. R. Gungor, H. S. Ho, and D. Maroudas, “Modeling of Electromigration-Induced Failure in Metallic Thin Films,” Non-equilibrium Physics Seminar, University of California, Santa Barbara, January 1999, Santa Barbara, California.

74. S. Ramalingam, E. S. Aydil, and D. Maroudas, “Interaction Mechanisms of SiH3 on Si Surfaces: An Atomic-Scale Simulation Study,” APS Centennial Meeting, March 1999, Atlanta, Georgia.

75. M. R. Gungor, D. Maroudas, S. J. Zhou, and L. J. Gray, “Simulation of Void Morphological Evolution and Failure in Metallic Thin-Film Interconnects,” APS Centennial Meeting, March 1999, Atlanta, Georgia.

76. L. A. Zepeda-Ruiz, B. Z. Nosho, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Kinetic Analysis of Strain Relaxation in the Heteroepitaxial Growth of Semiconductor Films on Compliant Substrates,” APS Centennial Meeting, March 1999, Atlanta, Georgia.

77. S. Ramalingam, D. Maroudas, and E. S. Aydil, “Plasma-Surface Interactions in the PECVD of Silicon: An Atomic-Scale Analysis,” MRS Spring Meeting, April 1999, San Francisco, California.

78. M. R. Gungor and D. Maroudas, “Computer Simulations of Stress- and Electromigration-Induced Failure of Metallic Thin-Film Interconnects,” MRS Spring Meeting, April 1999, San Francisco, California.

79. L. A. Zepeda-Ruiz, B. Z. Nosho, R. I. Pelzel, W. H. Weinberg, and D. Maroudas, “Kinetic Analysis of Strain Relaxation in the Heteroepitaxial Growth of Semiconductor Films on Compliant Substrates,” MRS Spring Meeting, April 1999, San Francisco, California.

80. M. R. Gungor and D. Maroudas, “Multiscale Theoretical Analysis of Electromechanically-Induced Failure of Metallic Thin-Film Interconnects,” Fifth International Workshop on Stress-Induced Phenomena in Metallization, June 1999, Stuttgart, Germany.

81. E. S. Aydil, D. Maroudas, S. Ramalingam, D. C. Marra, B. F. Hanyaloglu, W. M. M. Kessels, P. Mahalingam, and S. P. Walch, “Combined Experimental and Theoretical Study of the Radical-Surface Interactions during Plasma-Enhanced Chemical Vapor Deposition of Si Films from Silane/Hydrogen Discharges,” 218th Meeting of the American Chemical Society (ACS), August 1999, New Orleans, Louisiana.

82. S. Ramalingam, D. Maroudas, E. S. Aydil, and S. P. Walch, “Atomistic Simulations of Radical-Surface Interactions during Plasma-Enhanced Chemical Vapor Deposition of Si Films from Silane/Hydrogen Discharges,” 46th International Symposium of the AVS, October 1999, Seattle, Washington.

83. S. Ramalingam, D. Maroudas, E. S. Aydil, and W. M. M. Kessels, “Theoretical Analysis of the Interactions of Chemically Reactive Clusters from Silane Plasmas with Crystalline and Amorphous Silicon Surfaces,” 46th International Symposium of the AVS, October 1999, Seattle, Washington.

84. L. A. Zepeda-Ruiz, R. I. Pelzel, B. Z. Nosho, W. H. Weinberg, and D. Maroudas, “Kinetic Analysis of Strain Relaxation through Misfit Dislocation Formation in III-V Semiconductor Heteroepitaxy,” AIChE Annual Meeting, November 1999, Dallas, Texas.

85. S. Ramalingam, S. P. Walch, P. Mahalingam, E. S. Aydil, and D. Maroudas, “Theoretical Analysis of Reactions of SiHx Radicals and Chemically Reactive Clusters from Silane Plasmas with Crystalline and Amorphous Silicon Surfaces,” AIChE Annual Meeting, November 1999, Dallas, Texas.

86. J. Zhao, F. Milstein, and D. Maroudas, “Stress-Induced Structural Transitions in Metals: Mechanical Stability Criteria and Molecular-Dynamics Simulations,” AIChE Annual Meeting, November 1999, Dallas, Texas.


87. M. R. Gungor and D. Maroudas, “Modeling of Electromigration-Induced Failure of Metallic Thin-Film Interconnects: Effects of Processing Related Residual Thermal Stresses,” AIChE Annual Meeting, November 1999, Dallas, Texas.

88. S. Ramalingam, E. S. Aydil, and D. Maroudas, “Atomistic Simulations of Radical-Surface Interactions during Plasma-Enhanced Chemical Vapor Deposition of Si Films from Silane/Hydrogen Discharges,” AIChE Annual Meeting, November 1999, Dallas, Texas.

89. L. A. Zepeda-Ruiz, W. H. Weinberg, and D. Maroudas, “Effects of Substrate Thickness and Compositional Grading on Interfacial Stability and Surface Morphology in Layer-by-Layer Semiconductor Heteroepitaxy,” AIChE Annual Meeting, November 1999, Dallas, Texas.

90. L. A. Zepeda-Ruiz, R. I. Pelzel, B. Z. Nosho, W. H. Weinberg, and D. Maroudas, “Effects of Substrate Thickness and Compositional Grading on Interfacial Stability and Strain Relaxation Kinetics in Layer-by-Layer Semiconductor Heteroepitaxy,” MRS Fall Meeting, December 1999, Boston, Massachusetts (Graduate Student Award of the Materials Research Society to L. A. Zepeda-Ruiz).

91. M. R. Gungor and D. Maroudas, “Multiscale Modeling of Electromechanically-Driven Void Dynamics and Failure in Metallic Thin Films,” MRS Fall Meeting, December 1999, Boston, Massachusetts.

92. R. I. Pelzel, L. A. Zepeda-Ruiz, B. Z. Nosho, W. H. Weinberg, and D. Maroudas, “Combined Effects of Buffer Layer Thickness and Compositional Grading in InAs/GaAs(111)A Heteroepitaxy,” MRS Fall Meeting, December 1999, Boston, Massachusetts.

93. J. Zhao, F. Milstein, and D. Maroudas, “Pressure-Induced Structural Transformations in Metals: Mechanical Stability Criteria and Molecular-Dynamics Simulations,” MRS Fall Meeting, December 1999, Boston, Massachusetts.

94. S. Ramalingam, S. P. Walch, E. S. Aydil, and D. Maroudas, “Modeling of Surface Chemical Reactions in the Plasma Deposition of Silicon Thin Films,” MRS Fall Meeting, December 1999, Boston, Massachusetts.

95. M. R. Gungor and D. Maroudas, “Relaxation Mechanisms of Residual Thermomechanical Stresses in Ductile Metallic Thin Films: Atomistic and Continuum Modeling,” MRS Spring Meeting, April 2000, San Francisco, California.

96. L. A. Zepeda-Ruiz, W. H. Weinberg, and D. Maroudas, “Effects of Strain-Induced Segregation on Interfacial Structure and Stability and Film Surface Morphology in Layer-by-Layer Semiconductor Heteroepitaxy,” MRS Spring Meeting, April 2000, San Francisco, California.

97. S. Ramalingam, S. P. Walch, E. S. Aydil, and D. Maroudas, “Atomic-Scale Modeling of Plasma Deposition of Silicon Thin Films,” MRS Spring Meeting, April 2000, San Francisco, California.

98. S. Agarwal, D. Maroudas, and E. S. Aydil, “Mass Resolved Ion Energy Distributions in an Inductively Coupled H2/Ar Plasma,” 197th Meeting of the Electrochemical Society, May 2000, Toronto, Canada.

99. E. S. Aydil, D. Maroudas, D. C. Marra, S. Ramalingam, S. Sriraman, W. M. M. Kessels, and M. C. M. van de Sanden, “A Combined Experimental and Theoretical Investigation of the Surface Reactions in Plasma Deposition of Hydrogenated Amorphous Silicon Films,” 197th Meeting of the Electrochemical Society, May 2000, Toronto, Canada.

100. D. Maroudas and M. R. Gungor, “Continuum and Atomistic Modeling of Electromechanically-Induced Failure of Ductile Metallic Thin Films,” Symposium on Multiscale Materials Modeling, International Conference of the IUMRS, July 2000, Hong Kong.


101. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “An Investigation of the Plasma-Surface Interactions Relevant to Plasma Deposition of Hydrogenated Amorphous Silicon Films through Atomistic Simulations,” Gordon Research Conference on Plasma Processing Science, August 2000, Tilton, New Hampshire.

102. S. Agarwal, D. Maroudas, and E. S. Aydil, “Mass Resolved Ion Energy Distribution Measurements in an Inductively Coupled H2/Ar Plasma with a Highly Collisional Presheath,” 47th International Symposium of the AVS, October 2000, Boston, Massachusetts.

103. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Interactions of Chemically Reactive Radicals with Si Growth Surfaces During Plasma Deposition of Si Thin Films,” 47th International Symposium of the AVS, October 2000, Boston, Massachusetts (Student Award of the AVS Thin Films Division to S. Sriraman).

104. M. R. Gungor and D. Maroudas, “Relaxation Mechanisms of Processing Related Stresses in Metallic Thin-Film Interconnects,” AIChE Annual Meeting, November 2000, Los Angeles, California.

105. M. R. Gungor and D. Maroudas, “Current-Induced Non-Linear Dynamics of Voids in Metallic Thin Films: Hopf Bifurcation and Surface Wave Propagation,” AIChE Annual Meeting, November 2000, Los Angeles, California.

106. L. A. Zepeda-Ruiz, W. H. Weinberg, and D. Maroudas, “Simulation of Strain-Induced Segregation Effects on Interfacial Stability and Structure in Semiconductor Heteroepitaxy,” AIChE Annual Meeting, November 2000, Los Angeles, California.

107. D. Maroudas, L. A. Zepeda-Ruiz, R. I. Pelzel, and W. H. Weinberg, “Deformation Behavior of Coherently Strained Heteroepitaxial Systems: Theoretical Calculations and Experimental Measurements,” AIChE Annual Meeting, November 2000, Los Angeles, California.

108. J. Zhao, F. Milstein, and D. Maroudas, “Thermal Activation of Shear Modulus Instabilities in Pressure-Induced Structural Transitions in Metals,” AIChE Annual Meeting, November 2000, Los Angeles, California.

109. S. Agarwal, D. Maroudas, and E. S. Aydil, “Mass Resolved Ion Energy Distribution Measurements in an Inductively Coupled H2/Ar Plasma with a Highly Collisional Presheath,” AIChE Annual Meeting, November 2000, Los Angeles, California.

110. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Interactions of Chemically Reactive Radicals with Silicon Growth Surfaces During Plasma Deposition,” AIChE Annual Meeting, November 2000, Los Angeles, California.

111. S. Ramalingam, S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomic-Scale Modeling of Plasma-Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2000, Los Angeles, California.

112. M. R. Gungor and D. Maroudas, “Electromigration-Induced Surface Wave Propagation on Voids in Metallic Thin Films,” MRS Fall Meeting, December 2000, Boston, Massachusetts.

113. M. R. Gungor and D. Maroudas, “Molecular-Dynamics Studies of Void Growth in Strained Ductile Metallic Thin Films,” MRS Fall Meeting, December 2000, Boston, Massachusetts.

114. D. Maroudas, L. A. Zepeda-Ruiz, R. I. Pelzel, and W. H. Weinberg, “Deformation Behavior of Thin Buffer Layers in Strained-Layer Semiconductor Heteroepitaxial Growth,” MRS Fall Meeting, December 2000, Boston, Massachusetts.

115. S. Ramalingam, S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomistic Simulation Studies of Plasma-Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon Films,” MRS Fall Meeting, December 2000, Boston, Massachusetts.


116. J. Zhao, F. Milstein, and D. Maroudas, “Molecular-Dynamics Study of Instabilities in Crystals Under Constant Stress,” MRS Fall Meeting, December 2000, Boston, Massachusetts.

117. D. Maroudas, “Multiscale Modeling of Electromechanically-Induced Failure of Ductile Metallic Thin Films,” Multiscale Materials Modeling Seminar, Massachusetts Institute of Technology, February 2001, Cambridge, Massachusetts.

118. D. Maroudas, “Multiscale Modeling of Strain Relaxation and Interfacial Stability in III-V Semiconductor Strained-Layer Heteroepitaxy,” Multiscale Materials Modeling Seminar, Massachusetts Institute of Technology, March 2001, Cambridge, Massachusetts.

119. S. Agarwal, D. Maroudas, E. S. Aydil, M. C. M. Van de Sanden, and A. Takano, “Effect of Atomic Deuterium on a-Si:H Films,” Frontiers in Low-Temperature Plasma Diagnostics IV, March 2001, Rodluc, The Netherlands.

120. D. Maroudas and L. A. Zepeda-Ruiz, “Theoretical Approach to Strain Relaxation Engineering in Layer-By-Layer Heteroepitaxial Growth of Semiconductor Thin Films,” MRS Spring Meeting, April 2001, San Francisco, California.

121. D. Maroudas and M. R. Gungor, “Analysis of Dislocation-Mediated Void Growth Mechanisms in Strained Metallic Thin Films,” MRS Spring Meeting, April 2001, San Francisco, California.

122. E. S. Aydil, D. Maroudas, D. C. Marra, W. M. M. Kessels, S. Agarwal, S. Ramalingam, S. Sriraman, M. C. M. van de Sanden, and A. Takano, “Atomistic Simulation and In Situ Probing of a-Si:H Plasma Deposition,” MRS Spring Meeting, April 2001, San Francisco, California.

123. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Computational Growth and Characterization of Plasma-Deposited Hydrogenated Amorphous Silicon Thin Films through Atomistic Simulations,” MRS Spring Meeting, April 2001, San Francisco, California.

124. J. Zhao, D. Maroudas, and F. Milstein, “Isostress Molecular-Dynamics Study of Elastic Instabilities in Crystals,” MRS Spring Meeting, April 2001, San Francisco, California.

125. S. Agarwal, A. Takano, M. C. M. Van de Sanden, E. S. Aydil, and D. Maroudas, “An In Situ Study of the Interactions of Atomic Deuterium with Hydrogenated Amorphous Silicon Thin Films Using Multiple Total Reflection Fourier Transform Infrared Spectroscopy,” AVS 48th International Symposium and IUVSTA 15th International Vacuum Congress & 11th International Congress on Solid Surfaces, October 2001, San Francisco, California.

126. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Atomic-Scale Modeling of Plasma-Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon Thin Films,” AVS 48th International Symposium and IUVSTA 15th International Vacuum Congress & 11th International Congress on Solid Surfaces, October 2001, San Francisco, California (Best Student Poster Presentation Award of the AVS Plasma Science Division to S. Sriraman).

127. S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomic-Scale Simulation Study of the Role of H Atoms in the Amorphous-to-Nanocrystalline Transformation in Plasma-Deposited Silicon Thin Films,” AVS 48th International Symposium and IUVSTA 15th International Vacuum Congress & 11th International Congress on Solid Surfaces, October 2001, San Francisco, California.

128. I. G. Kevrekidis, A. G. Makeev, S. Sriraman, and D. Maroudas, “`Coarse’ Stability/Bifurcation Analysis of Monte Carlo Reaction Simulations,” AIChE Annual Meeting, November 2001, Reno, Nevada.


129. D. Maroudas and M. Rauf Gungor, “Analysis of Transport Phenomena that Mediate Void Growth Mechanisms in Metallic Thin-Film Interconnects,” AIChE Annual Meeting, November 2001, Reno, Nevada.

130. J. Zhao, F. Milstein, and D. Maroudas, “Elastic Instabilities in Crystals: Structural Stability Analysis and Isostress Molecular-Dynamics Simulations,” AIChE Annual Meeting, November 2001, Reno, Nevada.

131. D. Maroudas, J. Li, and I. G. Kevrekidis, “Numerical Bircation Analysis Based on Atomistic Simulation: Stress-Induced Structural Transitions in Crystals,” AIChE Annual Meeting, November 2001, Reno, Nevada.

132. S. Agarwal, A. Takano, M. C. M. Van de Sanden, D. Maroudas, and E. S. Aydil, “Study of Interactions of Atomic Deuterium with a-Si:H Thin Films Using Multiple Total Reflection Fourier Transform Infrared Spectroscopy,” AIChE Annual Meeting, November 2001, Reno, Nevada.

133. S. Sriraman, S. Ramalingam, E. S. Aydil, and D. Maroudas, “Modeling of Plasma-Enhanced Chemical Vapor Deposition of Hydrogenated Amorphous Silicon Thin Films through Atomistic Simulations,” AIChE Annual Meeting, November 2001, Reno, Nevada.

134. D. Maroudas and L. A. Zepeda-Ruiz, “Layer-by-Layer Heteroepitaxial Growth of Semiconductor Thin Films: Theoretical Approach for Strain Relaxation Engineering,” AIChE Annual Meeting, November 2001, Reno, Nevada.

135. S. Sriraman, E. S. Aydil, and D. Maroudas, “The Role of Hydrogen Atoms in the Amorphous-to-Nanocrystalline Transformation in Plasma-Deposited Silicon Thin Films: An Atomic-Scale Analysis,” AIChE Annual Meeting, November 2001, Reno, Nevada.

136. J. Zhao, S. Chantasiriwan, D. Maroudas, and F. Milstein, "Atomistic Simulations of the Mechanical Response and Modes of Failure in Metals at Finite Strain," 10th International Conference on Fracture, December 2001, Maui, Hawaii.

137. S. Agarwal, S. Sriraman, A. Takano, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Interactions of Atomic Deuterium with Hydrogenated Amorphous Silicon Thin Films: An In Situ Study Using Attenuated Total Reflection Fourier Transform Infrared Spectroscopy,” MRS Spring Meeting, April 2002, San Francisco, California (Graduate Student Award of the Materials Research Society to S. Agarwal).

138. S. Sriraman, S. Agarwal, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of the H-Induced Disorder-to-Order Transition in Plasma-Deposited Silicon Thin Films,” MRS Spring Meeting, April 2002, San Francisco, California (Graduate Student Award of the Materials Research Society to S. Sriraman).

139. D. Maroudas, J. Li, S. Yip, F. Milstein, and I. G. Kevrekidis, “Numerical Bifurcation Analysis Using Deterministic Atomic-Scale Simulation: Stresss-Induced Instabilities and Structural Transitions in Crystals,” MRS Spring Meeting, April 2002, San Francisco, California.

140. A. G. Makeev, C. W. Gear, I. G. Kevrekidis, and D. Maroudas, “Coarse Stability and Bifurcation Analysis Using Kinetic Monte Carlo Simulators,” MRS Spring Meeting, April 2002, San Francisco, California.

141. J. Zhao, D. Maroudas, and F. Milstein, “Isostress Molecular-Dynamics Studies of Mechanical Instability, Phase Change, and Failure in Crystals Under Stress,” MRS Spring Meeting, April 2002, San Francisco, California.

142. J. Li, I. G. Kevrekidis, D. Maroudas, and S. Yip, “Coupling Coarse Variables to Microscopic Simulations,” Workshop on Algorithm Refinement, Los Alamos National Laboratory, April 2002, Los Alamos, New Mexico.


143. S. Sriraman, S. Agarwal, M. S. Valipa, E. S. Aydil, and D. Maroudas, “Elucidating the Mechanism of H-Induced Crystallization of Amorphous Silicon,” Gordon Research Conference on Plasma Processing Science, August 2002, Tilton School, New Hampshire.

144. S. Agarwal, D. Maroudas, and E. S. Aydil, “Mass Resolved Ion Energy Distribution Measurements in an Inductively Coupled H2/Ar Plasma with Collisional Presheath,” Gordon Research Conference on Plasma Processing Science, August 2002, Tilton School, New Hampshire.

145. J. Zhao, F. Milstein, and D. Maroudas, “Isostress Molecular-Dynamics Analysis of Elastic Instability, Phase Change, and Failure in Crystals Under Stress,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

146. D. Maroudas, J. Li, S. Yip, F. Milstein, and I. G. Kevrekidis, “Numerical Bifurcation Analysis Using Deterministic Atomistic Simulation: Instabilities and Structural Transitions in Crystals,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

147. A. G. Makeev, D. Maroudas, A. Z. Panagiotopoulos, and I. G. Kevrekidis, “Coarse Bifurcation Analysis of Kinetic Monte Carlo Simulation Results,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

148. S. Sriraman, E. S. Aydil, and D. Maroudas, “Elucidating the Role of Radical-Surface Interactions in Plasma Deposition of Silicon Thin Films,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

149. S.Sriraman, E. S. Aydil, and D. Maroudas, “Mechanism of Hydrogen-Induced Crystallization of Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

150. S. Agarwal, A. Takano, B. Hoex, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Interaction of Atomic Deuterium with a-Si:H Films: Insertion, Etching, and Crystallization,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

151. J. Li, D. Maroudas, I. G. Kevrekidis, and S. Yip, “Coupling Coarse Variables to Microscopic Simulations,” AIChE Annual Meeting, November 2002, Indianapolis, Indiana.

152. S. Sriraman, E. S. Aydil, and D. Maroudas, “Mechanism of Hydrogen-Induced Crystallization of Amorphous Silicon Thin Films,” 49th International Symposium of the AVS, November 2002, Denver, Colorado.

153. S. Sriraman, S. Agarwal, M. S. Valipa, E. S. Aydil, and D. Maroudas, “Modeling H-Induced Crystallization in Plasma Deposition of Si Thin Films,” MRS Spring Meeting, April 2003, San Francisco, California.

154. M. S. Valipa, S. Sriraman, E. S. Aydil, and D. Maroudas, “Mechanisms and Energetics of H Insertion into Si-Si Bonds During H-Induced Crystallization of a-Si:H,” MRS Spring Meeting, April 2003, San Francisco, California.

155. D. Maroudas, “Enabling Microscopic Simulators to Perform System-Level Analysis,” NSF-ITR site visit, June 2003, Princeton, New Jersey.

156. D. Maroudas, “Computational Materials Science Tasks: An Overview of Progress to Date and Future Research Plans,” NSF-ITR site visit, June 2003, Princeton, New Jersey.

157. M. S. Valipa, S. Sriraman, E. S. Aydil, and D. Maroudas, “Mechanisms and Energetics of H Insertion into Si-Si Bonds in Hydrogenated Amorphous Silicon Films,” 50th International Symposium of the AVS, November 2003, Baltimore, Maryland (Student Award of the AVS Thin Films Division to M. S. Valipa).

158. S. Sriraman, M. S. Valipa, S. Agarwal, E. S. Aydil, and D. Maroudas, “Investigating the Fundamental Mechanisms of Surface Smoothening of Plasma-Deposited Amorphous Silicon


Thin Films through Atomistic Simulations,” 50th International Symposium of the AVS, November 2003, Baltimore, Maryland.

159. S. Agarwal, G. W. W. Quax, B. Hoex, M. C. M. Van de Sanden, D. Maroudas, and E. S. Aydil, “Measurement of Absolute Radical and Metastable Species Densities in O2 and N2 Plasmas using Modulated Beam Appearance Ionization Mass Spectrometry,” 50th International Symposium of the AVS, November 2003, Baltimore, Maryland.

160. S. Agarwal, G. W. W. Quax, B. Hoex, M. C. M. Van de Sanden, D. Maroudas, and E. S. Aydil, “Measurement of Absolute Radical and Metastable Species Densities in O2 and N2 Plasmas using Modulated Beam Appearance Ionization Mass Spectrometry,” AIChE Annual Meeting, November 2003, San Francisco, California.

161. J. Zhao, F. Milstein, and D. Maroudas, “Molecular-Dynamics Analysis of Nonlinear Elastic Instability, Structural Transition, and Failure in Crystals Under Stress,” AIChE Annual Meeting, November 2003, San Francisco, California.

162. C. I. Siettos, C. W. Gear, D. Maroudas, and I. G. Kevrekidis, “Enabling Microscopic Models to Perform System-Level Tasks: A Novel Framework for Computer-Aided Multiscale Analysis,” AIChE Annual Meeting, November 2003, San Francisco, California.

163. S. Sriraman, M. S. Valipa, S. Agarwal, E. S. Aydil, and D. Maroudas, “Atomic-Scale Simulation and Analysis of Hydrogen-Induced Crystallization of Amorphous Silicon Films,” AIChE Annual Meeting, November 2003, San Francisco, California.

164. D. Maroudas, “Modeling of Electronic Materials Reliability,” NSF-NIRT team meeting, January 2004, Amherst, Massachusetts.

165. M. F. Malone, M. A. Henson, R. S. Huss, D. Maroudas, and P. R. Westmoreland, “Connecting Molecular Models and Process Systems: Challenge Problems for Chemical and Materials Education,” HP ItaniumTM2 2003 Academic Grant Initiative site visit, January 2004, Amherst, Massachusetts.

166. E. S. Aydil, D. Maroudas, S. Agarwal, S, Sriraman, and M. S. Valipa, “Surface Processes During Growth of Hydrogenated Amorphous Silicon,” MRS Spring Meeting, April 2004, San Francisco, California.

167. S. Agarwal, M. S. Valipa, S. Sriraman, M. C. M. van de Sanden, D. Maroudas, and E. S. Aydil, “Interaction of SiH3 Radicals with Amorphous Silicon Surfaces,” MRS Spring Meeting, April 2004, San Francisco, California.

168. S. Sriraman, M. S. Valipa, E. S. Aydil, and D. Maroudas, “Molecular-Dynamics Modeling of Hydrogen Post Treatment of Hydrogenated Amorphous Silicon Thin Films,” MRS Spring Meeting, April 2004, San Francisco, California.

169. M. S. Valipa, S. Sriraman, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of Fundamental Mechanisms of Surface Smoothening in Plasma-Deposited Amorphous Silicon Thin Films,” MRS Spring Meeting, April 2004, San Francisco, California.

170. D. Maroudas, M. S. Valipa, S. Agarwal, S. Sriraman, and E. S. Aydil, “Combined Use of Experiments and Atomic-Scale Simulations to Study the Mechanisms of Amorphous Silicon Film Growth,” 3rd International Conference on Computational Modeling and Simulation of Materials, May-June 2004, Acireale (Catania), Sicily, Italy.

171. T. Bakos and D. Maroudas, “Precursor-Surface Interactions Relevant to Plasma Deposition of Silicon Thin Films: An Analysis Based on First-Principles Density Functional Theory,” Gordon Research Conference on Plasma Processing Science, August 2004, Plymouth, New Hampshire.

172. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of SiH3 and H Surface Diffusion on Plasma-Deposited Amorphous Silicon Thin Films,” Gordon


Research Conference on Plasma Processing Science, August 2004, Plymouth, New Hampshire.

173. D. Maroudas, J. Zhao, and F. Milstein, “Molecular-Dynamics Analysis of Atomic Pattern Formation in Stressed Crystals Beyond the Onset of Elastic Instability,” AIChE Annual Meeting, November 2004, Austin, Texas.

174. M. R. Gungor and D. Maroudas, “Molecular-Dynamics Study of Atomistic Mechanisms of Stress-Induced Void Evolution in Metallic Thin Films,” AIChE Annual Meeting, November 2004, Austin, Texas.

175. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromigration-Induced Nonlinear Void Dynamical Phenomena in Metallic Thin Films,” AIChE Annual Meeting, November 2004, Austin, Texas.

176. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Addressing Time-Scale Limitations of Atomistic Dynamical Simulators Using Coarse Projective Integration,” AIChE Annual Meeting, November 2004, Austin, Texas.

177. T. Bakos and D. Maroudas, “Precursor-Surface Reactions in Plasma Deposition of Silicon Thin Films: A First-Principles Study,” AIChE Annual Meeting, November 2004, Austin, Texas.

178. M. S. Valipa, E. S. Aydil, and D. Maroudas, “Determination of the SiH3 Surface Reactivity During Plasma Deposition of Silicon Thin Films through Atomic-Scale Simulation of Plasma-Surface Interactions,” AIChE Annual Meeting, November 2004, Austin, Texas.

179. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of SiH3 and H Surface Diffusion on Plasma-Deposited Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2004, Austin, Texas.

180. S. Agarwal, D. Maroudas, and E. S. Aydil, “Interactions of SiH3 Radicals with Amorphous Silicon Surfaces,” AIChE Annual Meeting, November 2004, Austin, Texas.

181. T. Bakos and D. Maroudas, “First-Principles Analysis of Precursor-Surface Interactions Relevant to Plasma Deposition of Silicon Thin Films,” AVS 51st International Symposium and Exhibition, November 2004, Anaheim, California.

182. M. S. Valipa, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of the SiH3 Surface Reactivity During Plasma Deposition of Amorphous Silicon Thin Films,” AVS 51st International Symposium and Exhibition, November 2004, Anaheim, California.

183. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of SiH3 and H Surface Diffusion on Plasma-Deposited Amorphous Silicon Thin Films,” AVS 51st International Symposium and Exhibition, November 2004, Anaheim, California.

184. M. R. Gungor and D. Maroudas, “Molecular-Dynamics Study of Ductile Void Growth Mechanisms in Metallic Thin Films,” MRS Fall Meeting, December 2004, Boston, Massachusetts.

185. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromigration-Induced Void Migration and Surface Morphological Evolution in Metallic Thin Films,” MRS Fall Meeting, December 2004, Boston, Massachusetts.

186. T. Bakos and D. Maroudas, “Theoretical Analysis of Precursor-Surface Interactions in the Plasma Deposition of Silicon Thin Films,” MRS Fall Meeting, December 2004, Boston, Massachusetts.

187. M. S. Valipa, E. S. Aydil, and D. Maroudas, “Fundamental Mechanisms of Surface Smoothening in Plasma-Deposited Amorphous Silicon Thin Films: A Molecular-Dynamics Analysis,” MRS Fall Meeting, December 2004, Boston, Massachusetts.


188. T. Bakos, M. S. Valipa, and D. Maroudas, “Precursor-Surface Reactions in Plasma Deposition of Silicon Thin Films,” APS March Meeting, March 2005, Los Angeles, California.

189. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of SiH3 Diffusion on Surfaces of Plasma-Deposited Amorphous Si Thin Films,” APS March Meeting, March 2005, Los Angeles, California.

190. J. S. Cho, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Electromigration-Induced Void Migration and Surface Waves in Metallic Thin Films,” APS March Meeting, March 2005, Los Angeles, California.

191. M. R. Gungor and D. Maroudas, “Computational Study of Atomistic Strain Relaxation Mechanisms in Biaxially Strained Ultra-Thin Metallic Films,” APS March Meeting, March 2005, Los Angeles, California.

192. H. Djohari, J. Zhao, F. Milstein, and D. Maroudas, “Theoretical Analysis of Stress-Induced Structural Response of Cubic Crystals Beyond the Onset of Elastic Instability,” APS March Meeting, March 2005, Los Angeles, California.

193. T. Bakos, M. S. Valipa, and D. Maroudas, “First-Principles Analysis of Growth Precursor Diffusion on Surfaces of Plasma-Deposited Silicon Thin Films,” MRS Spring Meeting, March/April 2005, San Francisco, California.

194. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “The Role of SiH3 Diffusion in Determining the Surface Smoothness of Plasma-Deposited Amorphous Si Thin Films: An Atomic-Scale Analysis,” MRS Spring Meeting, March/April 2005, San Francisco, California (Graduate Student Award of the Materials Research Society to M. S. Valipa).

195. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromigration-Induced Void Motion and Surface Oscillations in Metallic Thin-Film Interconnects,” MRS Spring Meeting, March/April 2005, San Francisco, California.

196. M. R. Gungor and D. Maroudas, “Atomic-Scale Analysis of Strain Relaxation Mechanisms in Ultra-Thin Metallic Films,” MRS Spring Meeting, March/April 2005, San Francisco, California.

197. K. Kolluri, L. A. Zepeda-Ruiz, C.S. Murthy, and D. Maroudas, “Strain Relaxation in Si1-xGex Thin Films on Si (100) Substrates: Modeling and Comparisons with Experiments,” MRS Spring Meeting, March/April 2005, San Francisco, California.

198. J. S. Cho, M. R. Gungor, and D. Maroudas, “Non-Linear Analysis of Electromigration-Induced Surface Waves on Voids in Metallic Thin Films,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

199. M. R. Gungor and D. Maroudas, “Atomic-Scale Analysis of Ductile Void Growth and Nanocrystalline Domain Formation as Strain Relaxation Mechanisms in Ultra-Thin Metallic Films,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

200. M. R. Gungor, V. Tomar, and D. Maroudas, “Effects of Elastic Stress on Electromigration-Driven Void Dynamics in Metallic Thin Films,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

201. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of Radical Precursor and Hydrogen Surface Diffusion on Plasma-Deposited Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

202. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Surface Smoothening Mechanism of Plasma-Deposited Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.


203. T. Bakos, M. S. Valipa, and D. Maroudas, “Analysis of Chemical Reactions Between Radical Growth Precursors Adsorbed on Plasma-Deposited Silicon Thin-Film Surfaces,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

204. H. Djohari, F. Milstein, and D. Maroudas, “Isostress Molecular-Dynamics Analysis of the Structural Response of Cubic Metallic Crystals to Hydrostatic Tension,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

205. H. Djohari, F. Milstein, and D. Maroudas, “Elastic Instability of Cubic Crystals Under High Hydrostatic Tension: Atomic Pattern Formation Leading to Structural Transformation or Failure,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

206. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Projective Molecular-Dynamics Integration for the Study of Structural Transitions in Condensed Matter,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

207. K. Kolluri, L. A. Zepeda-Ruiz, and D. Maroudas, “Relaxation of Lattice Mismatch Strain in Si1-xGex Thin Films on Si Substrates: Modeling and Comparisons with Experiments,” AIChE Annual Meeting, November 2005, Cincinnati, Ohio.

208. M. R. Gungor and D. Maroudas, “Atomic-Scale Analysis of Ductile Void Growth and Nanocrystalline Domain Formation as Strain Relaxation Mechanisms in Ultra-thin Metallic Films,” MRS Fall Meeting, November/December 2005, Boston, Massachusetts.

209. J. S. Cho, M. R. Gungor, and D. Maroudas, “Non-linear Analysis of Electromigration-Induced Surface Waves on Voids Confined in Metallic Thin Films,” MRS Fall Meeting, November/December 2005, Boston, Massachusetts.

210. V. Tomar, M. R. Gungor, and D. Maroudas, “Effects of Elastic Stress on Electromigration-Driven Dynamics of Voids Confined in Metallic Thin Films,” MRS Fall Meeting, November/December 2005, Boston, Massachusetts.

211. J. S. Cho, M. R. Gungor, and D. Maroudas, “Effects of Stress and Void-Void Interactions on Current-Driven Void Surface Evolution in Metallic Thin Films,” APS March Meeting, March 2006, Baltimore, Maryland.

212. M. R. Gungor and D. Maroudas, “Nanocrystalline Domain Formation as a Strain Relaxation Mechanism in Ultra-Thin Metallic Films,”APS March Meeting, March 2006, Baltimore, Maryland.

213. H. Djohari, F. Milstein, and D. Maroudas, “Elastic Stability Analysis of the Structural Response of Cubic Crystals to Hydrostatic Loading,” APS March Meeting, March 2006, Baltimore, Maryland.

214. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular Dynamics Applied to the Study of Structural Transitions in Condensed Matter,” APS March Meeting, March 2006, Baltimore, Maryland.

215. T. Bakos, M. S. Valipa, and D. Maroudas, “Analysis of Chemical Reactions between Radical Growth Precursors Adsorbed on Plasma-Deposited Silicon Thin-Film Surfaces,” APS March Meeting, March 2006, Baltimore, Maryland.

216. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas “Surface Smoothening Mechanism of Plasma-Deposited Amorphous Silicon Thin Films,” APS March Meeting, March 2006, Baltimore, Maryland.

217. T. Bakos, M. S. Valipa, and D. Maroudas, “Analysis of Chemical Reactions Between Radical Growth Precursors Adsorbed on Plasma-Deposited Silicon Thin-Film Surfaces,” MRS Spring Meeting, April 2006, San Francisco, California.


218. M. S. Valipa, T. Bakos, E. S. Aydil, and D. Maroudas, “Surface Smoothening Mechanism of Plasma-Deposited Amorphous Silicon Thin Films,” MRS Spring Meeting, April 2006, San Francisco, California.

219. M. R. Gungor and D. Maroudas, “Atomic-Scale Analysis of Stress-Induced Nanocrystalline Domain Formation in Ultra-Thin Metallic Films and Characterization of the Resulting Structure and Properties,” MRS Spring Meeting, April 2006, San Francisco, California.

220. J. S. Cho, M. R. Gungor, and D. Maroudas, “Theoretical Analysis of Current-Driven Interactions Between Voids in Metallic Interconnect Lines,” MRS Spring Meeting, April 2006, San Francisco, California.

221. E. D. Koronaki, M. R. Gungor, C. I. Siettos, and D. Maroudas, “Current-Induced Wave Propagation on Surfaces of Voids in Metallic Thin Films,” 2nd International Conference on Nonlinear Normal Modes and Localization in Vibrating Systems, June 2006, Samos, Greece.

222. T. Singh, M. S. Valipa, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Surface Hydride Dissociation on Silicon Surfaces,” UMass Amherst Center for Hierarchical Manufacturing Fall Annual Meeting, September 2006, Amherst, Massachusetts.

223. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Determination of the Onset of Structural Transitions in Condensed Matter through Coarse Molecular Dynamics,” AIChE Annual Meeting, November 2006, San Francisco, California.

224. M. S. Valipa, T. Singh, and D. Maroudas, “Atomic-Scale Analysis of Silicon Hydride Dissociation on Surfaces of Plasma-Deposited Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2006, San Francisco, California.

225. H. Djohari, F. Milstein, and D. Maroudas, “Effects of Temperature and Structural Defects on the Theoretical Strength of Cubic Metallic Crystals under Hydrostatic Tension,” AIChE Annual Meeting, November 2006, San Francisco, California.

226. H. Djohari, F. Milstein, and D. Maroudas, “Analysis of Elastic Stability and Structural Response of Cubic Crystals under Uniaxial Loading,” AIChE Annual Meeting, November 2006, San Francisco, California.

227. J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromigration-Driven Interactions between Voids in Metallic Thin Films,” AIChE Annual Meeting, November 2006, San Francisco, California.

228. V. Tomar, M. R. Gungor, and D. Maroudas, “Effects of the Combined Action of Electric Fields and Mechanical Stresses on the Morphological Stability of Solid Surfaces,” AIChE Annual Meeting, November 2006, San Francisco, California.

229. K. Kolluri, M. R. Gungor, and D. Maroudas, “Relaxation of Biaxial Strain in Ultra-Thin Films of Face-Centered Cubic Metals: Ductile Void Growth and Nanocrystalline Domain Formation,” AIChE Annual Meeting, November 2006, San Francisco, California.

230. K. Kolluri and D. Maroudas, “Analysis of Misfit Dislocation Formation and Strain Relaxation in Si1-xGex Thin Films on Si(100) Substrates,” AIChE Annual Meeting, November 2006, San Francisco, California.

231. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Analysis of Structural and Mechanical Properties of Microporous and Mesoporous Amorphous Silicas,” AIChE Annual Meeting, November 2006, San Francisco, California.

232. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Determination of the Onset of Structural Transitions in Condensed Matter,” MRS Fall Meeting, November 2006, Boston, Massachusetts.


233. H. Djohari, F. Milstein, and D. Maroudas, “Effects of Temperature and Structural Defects on the Strength and Structural Response of Cubic Inorganic Crystals under Mechanical Loading,” MRS Fall Meeting, November 2006, Boston, Massachusetts.

234. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Analysis of Structural and Mechanical Properties of Amorphous Microporous and Mesoporous Silica Thin Films,” MRS Spring Meeting, April 2007, San Francisco, California.

235. M. S. Valipa, T. Singh, and D. Maroudas, “Atomistic Analysis of the Role of Surface Coordination Defects in the Growth of Amorphous Silicon Thin Films,” MRS Spring Meeting, April 2007, San Francisco, California.

236. T. Singh, M. S. Valipa, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Surface Hydride Dissociation on Plasma-Deposited Amorphous Silicon Thin Films,” MRS Spring Meeting, April 2007, San Francisco, California.

237. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Analysis of Structural and Mechanical Properties of Amorphous Mesoporous Silica Thin Films,” UMass Amherst Center for Hierarchical Manufacturing Fall Annual Meeting, September 2007, Amherst, Massachusetts.

238. T. Singh, M. S. Valipa, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of the Role of Surface Coordination Defects in the Growth of Amorphous Silicon Thin Films,” UMass Amherst Center for Hierarchical Manufacturing Fall Annual Meeting, September 2007, Amherst, Massachusetts.

239. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of the Structure and Stability of II-VI Semiconductor Nanoclusters,” UMass Amherst Center for Hierarchical Manufacturing Fall Annual Meeting, September 2007, Amherst, Massachusetts.

240. M. J. Behr, T. Singh, D. Maroudas, and E. S. Aydil, “New Carbon Allotropes Produced by Hydrogen Plasma Exposure of Carbon Nanotubes,” AVS 54th International Symposium and Exhibition, October 2007, Seattle, Washington.

241. M. A. Amat, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Analysis of Structural Transitions in Condensed Matter,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

242. H. Djohari, M. A. Amat, F. Milstein, I. G. Kevrekidis, and D. Maroudas, “Coarse Molecular-Dynamics Analysis of Polymorphic Transitions in Crystals under Uniaxial Loading,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

243. H. Djohari, F. Milstein, and D. Maroudas, “Analysis of Elastic Stability and Structural Response of Body-Centered Cubic Crystals under [100] and [110] Uniaxial Loading,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

244. V. Tomar, M. R. Gungor, and D. Maroudas, “Current-Induced Stabilization of Surface Morphology in Stressed Solids,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

245. V. Tomar, J. S. Cho, M. R. Gungor, and D. Maroudas, “Analysis of Electromechanically-Driven Complex Morphological Evolution of Void Surfaces in Metallic Thin Films,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

246. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Analysis of Structural and Mechanical Properties of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

247. K. Kolluri, M. R. Gungor, and D. Maroudas, “Atomic-Scale Analysis of Strained Ultra-Thin FCC Metallic Films: Defect Dynamics and Strain Relaxation Mechanisms,” AIChE Annual


Meeting, November 2007, Salt Lake City, Utah (Best Student Poster Award of the Nanoscale Science and Engineering Forum of AIChE to K. Kolluri).

248. K. Kolluri, M. R. Gungor, and D. Maroudas, “Relaxation of Biaxial Strain in Ultra-Thin Films of Face-centered-cubic Metals through Ductile Void Growth and Structural Phase Transitions,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

249. M. S. Valipa, T. Singh, and D. Maroudas, “Atomic-Scale Analysis of the Role of Surface Coordination Defects in the Growth of Amorphous Silicon Thin Films,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

250. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of the Structure and Stability of II-VI Semiconductor Nanoclusters,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

251. T. Singh, M. J. Behr, M. S. Valipa, E. S. Aydil, and D. Maroudas, “First-Principles Theoretical Analysis of Carbon Nanostructures and New Carbon Allotropes,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah.

252. M. J. Behr, T. Singh, D. Maroudas, and E. S. Aydil, “New Carbon Allotropes Produced by Hydrogen Plasma Exposure of Carbon Nanotubes,” AIChE Annual Meeting, November 2007, Salt Lake City, Utah (Best Student Poster Award of the Materials Engineering and Sciences Division of AIChE to M. J. Behr).

253. K. Kolluri, M. R. Gungor, and D. Maroudas, “Relaxation of Biaxial Strain in Ultra-Thin Films of Face-centered Cubic Metals through Ductile Void Growth, Grain Nucleation, and Structural Phase Transitions,” MRS Fall Meeting, November 2007, Boston, Massachusetts.

254. V. Tomar, M. R. Gungor, and D. Maroudas, “Current-induced Stabilization of Surface Morphology in Stressed Solids,” APS March Meeting, March 2008, New Orleans, Louisiana.

255. K. Kolluri, M. R. Gungor, and D. Maroudas, “Strain Relaxation through Structural Phase Transition in Ultrathin Films of FCC Metals,” APS March Meeting, March 2008, New Orleans, Louisiana.

256. A. R. Muniz, T. Singh, and D. Maroudas, “Atomic-scale Analysis of the Interactions Between Atomic Hydrogen and Multi-walled Carbon Nanotubes,” APS March Meeting, March 2008, New Orleans, Louisiana.

257. T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “First-principles Theoretical Analysis of Carbon Allotropes and Nanostructures,” APS March Meeting, March 2008, New Orleans, Louisiana.

258. S. C. Pandey and D. Maroudas, “Kinetic Monte Carlo Simulation of Plasma Deposition of Silicon Thin Films,” APS March Meeting, March 2008, New Orleans, Louisiana.

259. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Dopant Diffusion on Surfaces of ZnSe Nanocrystals,” APS March Meeting, March 2008, New Orleans, Louisiana.

260. A. R. Muniz, T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “Atomic-scale Analysis of the Interactions Between Atomic Hydrogen from a H2 Plasma and Multi-walled Carbon Nanotubes,” Gordon Research Conference on Plasma Processing Science, July 2008, South Hadley, Massachusetts.

261. T. Singh, M. J. Behr, A. R. Muniz, E. S. Aydil, and D. Maroudas, “First-principles Theoretical Analysis of Carbon Allotropes and Nanostructures Formed through Exposure of Multi-walled Carbon Nanotubes to H2 Plasmas,” Gordon Research Conference on Plasma Processing Science, July 2008, South Hadley, Massachusetts.


262. M. J. Behr, A. R. Muniz, T. Singh, D. Maroudas, and E. S. Aydil, “Diamonds and New Carbon Allotropes from Carbon Nanotubes at Room Temperature,” Gordon Research Conference on Plasma Processing Science, July 2008, South Hadley, Massachusetts.

263. M. J. Behr, A. R. Muniz, T. Singh, D. Maroudas, and E. S. Aydil, “Diamonds and new carbon allotropes from carbon nanotubes at room temperature,” AVS 55th International Symposium and Exhibition, October 2008, Boston, Massachusetts.

264. D. Maroudas, “Modeling Plasma Interactions with Materials Surfaces,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

265. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Dopant Adsorption and Diffusion on Surfaces of II-VI Compound Semiconductor Nanocrystals,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

266. T. Singh, M. J. Behr, A. R. Muniz, E. S. Aydil, and D. Maroudas, “First-Principles Theoretical Analysis of Carbon Allotropes and Nanostructures Formed through Exposure of Multi-Walled Carbon Nanotubes to Hydrogen Plasmas,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

267. A. R. Muniz, T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “Atomic-Scale Analysis of the Interactions Between Atomic Hydrogen and Multi-Walled Carbon Nanotubes,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

268. S. C. Pandey, T. Singh, and D. Maroudas, “Kinetic Monte Carlo Simulations of Surface Growth during Plasma Deposition of Silicon Thin Films,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

269. S. C. Pandey, T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Analysis and Monte Carlo Simulations of Surface Segregation in ZnSe1-xSx Nanostructures,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

270. V. Tomar, M. R. Gungor, and D. Maroudas, “Morphological Stability Analysis of Planar Crystalline Solid Surfaces Under the Simultaneous Action of Electric Fields and Mechanical Stresses,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

271. V. Tomar, J. S. Cho, M. R. Gungor, and D. Maroudas, “Electromechanically-Driven Complex Void Dynamics in Metallic Thin Films,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

272. K. Kolluri, M. R. Gungor, and D. Maroudas, “Ultra-High Strength Due to Dislocation Depletion in Small-Volume Structures of Face-Centered Cubic Metals,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

273. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Analysis of the Effects of Thermal Treatment and Loading Conditions on the Mechanical Properties of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

274. H. Djohari, F. Milstein, and D. Maroudas, “Elastic Stability and Structural Response of Body-Centered Cubic Crystals Under Uniaxial and Hydrostatic Loading,” AIChE Annual Meeting, November 2008, Philadelphia, Pennsylvania.

275. K. Kolluri, M. R. Gungor, and D. Maroudas, “Mechanisms of Dislocation Depletion in Small-volume Structures of FCC Metals,” MRS Fall Meeting, November 2008, Boston, Massachusetts (Graduate Student Award of the Materials Research Society to K. Kolluri).

276. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Effects of Thermal Treatment and Loading Conditions on the Mechanical Behavior of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films,” MRS Fall Meeting, November 2008, Boston, Massachusetts.


277. S. C. Pandey, T. Singh, and D. Maroudas, “Theoretical Analysis of Equilibrium Surface Segregation in Ternary III-V and II-VI Semiconductor Nanostructures,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

278. A. R. Muniz, T. Singh, and D. Maroudas, “Effects of Hydrogen Chemisorption on the Structure of Carbon Nanotubes,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

279. K. Kolluri, M. R. Gungor, and D. Maroudas, “Molecular-Dynamics Analysis of the Mechanical Behavior of Face-Centered Cubic Metallic Ultrathin Films,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

280. V. Tomar, M. R. Gungor, and D. Maroudas, “Surface Morphological Response of Stressed Elastic Solids under Electromigration Conditions,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

281. D. Maroudas, S. C. Pandey, and T. Singh, “On the Growth Mechanisms of Plasma Deposited Amorphous Silicon Thin Films,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

282. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Dopant Adsorption and Diffusion on Surfaces of II-VI Compound Semiconductor Nanocrystals,” APS March Meeting, March 2009, Pittsburgh, Pennsylvania.

283. S. C. Pandey, T. Singh, and D. Maroudas, “Atomic-Scale Analysis of Equilibrium Surface Segregation in Ternary Compound (III-V and II-VI) Semiconductor Nanostructures,” MRS Spring Meeting, April 2009, San Francisco, California.

284. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Dopant Adsorption and Diffusion on Surfaces of II-VI Compound Semiconductor Nanocrystals,” MRS Spring Meeting, April 2009, San Francisco, California.

285. A. R. Muniz, T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “Effects of Hydrogen Chemisorption on the Structure of Carbon Nanotubes,” MRS Spring Meeting, April 2009, San Francisco, California.

286. S. C. Pandey, T. Singh, and D. Maroudas, “Mechanism of Silicon Thin-Film Growth by Plasma Deposition from First-Principles-Based Kinetic Monte Carlo Simulations,” MRS Spring Meeting, April 2009, San Francisco, California.

287. A. R. Muniz, T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “Effects of Hydrogen Chemisorption on the Structure of Carbon Nanotubes,” Semiconductor Research Corporation Global Research Consortium (SRC/GRC) Annual Nanopatterning Research Review, October 2009, Hadley, Massachusetts.

288. S. C. Pandey, T. Singh, and D. Maroudas, “Mechanism of Silicon Thin-Film Growth by Plasma Deposition from First-Principles-Based Kinetic Monte Carlo Simulations,” Semiconductor Research Corporation Global Research Consortium (SRC/GRC) Annual Nanopatterning Research Review, October 2009, Hadley, Massachusetts.

289. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Modeling of the Mechanical Behavior of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

290. K. Kolluri, M. R. Gungor, and D. Maroudas, “Molecular-Dynamics Simulation Study of the Mechanical Behavior Under Biaxial Strain of Pre-Strained FCC Metallic Ultrathin Films,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

291. V. Tomar, M. R. Gungor, and D. Maroudas, “Current-Driven Surface Morphological Evolution and Pattern Formation in Stressed Elastic Solid Conductors,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.


292. V. Tomar, M. R. Gungor, and D. Maroudas, “Electromechanically-Driven Oscillatory and Chaotic Dynamics of Void Surfaces in Metallic Thin Films,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

293. S. C. Pandey, T. Singh, and D. Maroudas, “First-Principles-Based Kinetic Modeling of Surface Growth During Plasma Deposition of Silicon Thin Films,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

294. T. Singh, M. J. Behr, E. S. Aydil, and D. Maroudas, “First-Principles Theoretical Analysis of Pure and Hydrogenated Crystalline Carbon Phases and Nanostructures,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

295. A. R. Muniz and D. Maroudas, “Theoretical Analysis of the Hydrogen Storage Capacity Limitations of Single-Walled Carbon Nanotubes,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

296. A. R. Muniz, T. Singh, and D. Maroudas, “Structure of Carbon Nanocrystals Nucleated by Hydrogen-Induced Intershell C-C Bonding in Multi-Walled Carbon Nanotubes,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

297. S. C. Pandey, T. Singh, T. J. Mountziaris, and D. Maroudas, “Toward Optimal Design of Compound Semiconductor Nanocrystals: First-Principles Analysis, Monte Carlo Simulations, and Experimental Synthesis and Characterization,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

298. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Doping in II-VI Compound Semiconductor Nanocrystals,” AIChE Annual Meeting, November 2009, Nashville, Tennessee.

299. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Doping in II-VI Compound Semiconductor Nanocrystals,”MRS Fall Meeting, December 2009, Boston, Massachusetts.

300. A. R. Muniz and D. Maroudas, “Theoretical Analysis of the Hydrogen Storage Capacity of Single-walled Carbon Nanotubes,” MRS Fall Meeting, December 2009, Boston, Massachusetts.

301. S. C. Pandey, T. Singh, T. J. Mountziaris, and D. Maroudas, “Theoretical Analysis of Core/Shell-Like Structure Formation through Equilibrium Surface Segregation in InxGa1-xAs and ZnSe1-xSx Nanocrystals,” MRS Fall Meeting, December 2009, Boston, Massachusetts.

302. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Doping in II-VI Compound Semiconductor Nanocrystals,” APS March Meeting, March 2010, Portland, Oregon.

303. A. R. Muniz, T. Singh, and D. Maroudas, “Analysis of Diamond Nanocrystal Formation from Multi-walled Carbon Nanotubes,” APS March Meeting, March 2010, Portland, Oregon.

304. D. Maroudas and A. R. Muniz, “On the Hydrogen Storage Capacity Limitations of Carbon Nanotube Bundles,” APS March Meeting, March 2010, Portland, Oregon.

305. S. C. Pandey, T. Singh, T. J. Mountziaris, and D. Maroudas, “Computational Analysis of Core/Shell-like Structure Formation through Equilibrium Segregation in Ternary Compound Semiconductor Nanocrystals,” APS March Meeting, March 2010, Portland, Oregon.

306. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Electromigration-Driven Surface Morphological Stabilization of a Strained Thin Film on a Substrate,” APS March Meeting, March 2010, Portland, Oregon.

307. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Effects of Loading Mode, Pore Morphology, and Thermal Treatment on the Mechanical Behavior of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films,” APS March Meeting, March 2010, Portland, Oregon.


308. T. Singh, A. R. Muniz, S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Computational Modeling of Synthesis, Structure, and Properties of Semiconductor Nanostructures,” MRS Spring Meeting, April 2010, San Francisco, California (Graduate Student Award of the Materials Research Society to T. Singh).

309. F. Milstein, H. Djohari, and D. Maroudas, “Stress Induced Inhomogeneous Destabilization Mechanisms in Ideal Crystals,” 18th Annual International Conference on Composites/Nano Engineering (ICCE-18), July 2010, Anchorage, Alaska.

310. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Electromigration-Driven Surface Morphological Stabilization of a Coherently Strained Heteroepitaxial Thin Film,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

311. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Effects of Loading Tensor Anisotropy on the Complex Electromechanically Driven Dynamics of Voids in Metallic Thin Films,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

312. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Modeling of the Mechanical Behavior of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silicate Films: Effects of Straining Mode and Pore Morphology and Orientation,”AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

313. A. R. Muniz and D. Maroudas, “Hydrogenation Effects on the Structure and Morphology of Graphene and Single-walled Carbon Nanotubes,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

314. A. R. Muniz and D. Maroudas, “Carbon Nanostructures Generated by Inter-layer Bonding in Multilayer Graphene and Inter-shell Bonding in Multi-walled Carbon Nanotubes,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

315. A. R. Muniz and D. Maroudas, “Computational Analysis of Structural Transformations in Carbon Nanostructures Induced by Hydrogenation,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

316. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Exploiting Equilibrium Properties for Assembly of Core/Shell-like Compound Semiconductor Nanocrystals,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

317. S. C. Pandey, J. Wang, T. J. Mountziaris, and D. Maroudas, “On the Thermodynamic Stability of ZnSe/ZnS Core/Shell Nanocrystals,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

318. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Thermodynamic and Electronic Properties of Ternary Compound Semiconductor Quantum Dots,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah (Graduate Student Award of the Computational Molecular Science and Engineering Forum of AIChE to S. C. Pandey).

319. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Doping in ZnO Nanocrystals,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

320. T. Singh, T. J. Mountziaris, and D. Maroudas, “First-Principles Theoretical Analysis of Doping in II-VI Compound Semiconductor Nanocrystals with Zinc-blende Structure,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.

321. D. J. Beltran-Villegas, R. M. Sehgal, D. Maroudas, D. M. Ford, and M. A. Bevan, “Constructing Free Energy Landscapes in Thermodynamically Small Colloidal Systems Using a Fokker-Planck Formalism,” AIChE Annual Meeting, November 2010, Salt Lake City, Utah.


322. S. C. Pandey, J. Wang, T. J. Mountziaris, and D. Maroudas, “Study of Process-Structure-Property Relations in Ternary Compound Semiconductor Quantum Dots,” MRS Spring Meeting, April 2011, San Francisco, California.

323. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Surface Morphological Stabilization of Heteroepitaxial Thin-Film Systems Driven by Electromigration,” MRS Spring Meeting, April 2011, San Francisco, California.

324. A. R. Muniz and D. Maroudas, “Formation of Carbon Nanostructures by Inter-layer Bonding in Bilayer Graphene and Multi-walled Carbon Nanotubes,” MRS Spring Meeting, April 2011, San Francisco, California.

325. A. R. Muniz and D. Maroudas, “Hydrogenation Effects on the Structure and Morphology of Graphene and Single-walled Carbon Nanotubes,” MRS Spring Meeting, April 2011, San Francisco, California.

326. M. R. Gungor, J. J. Watkins, and D. Maroudas, “Atomic-Scale Modeling of the Mechanical Behavior of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silicate Films,” MRS Spring Meeting, April 2011, San Francisco, California.

327. T. Singh, T. J. Mountziaris, and D. Maroudas, “Atomic-Scale Modeling of Transition-Metal Doping of Semiconductor Quantum Dots,” MRS Spring Meeting, April 2011, San Francisco, California.

328. S. C. Pandey, J. Wang, T. J. Mountziaris, and D. Maroudas, “Thermodynamic Stability and Self-Assembly of Heterogeneous Semiconductor Quantum Dots for Photovoltaic Applications,” Science for our Nation’s Energy Future: Energy Frontier Research Centers Summit & Forum, May 2011, Washington, D.C.

329. G. I. Sfyris and D. Maroudas, “Electromigration-Driven Surface Morphological Evolution of Heteroepitaxial Thin Films on Various Types of Deformable Substrates,” 7th GRACM International Congress on Computational Mechanics, Greek Association of Computational Mechanics (GRACM), June-July 2011, Athens, Greece.

330. A. R. Muniz and D. Maroudas, “Formation of Fullerene Superlattices by Interlayer Bonding in Twisted Bilayer Graphene,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

331. N. d’Eramo, A. R. Muniz, and D. Maroudas, “Two-Dimensional Crystalline Domains Embedded in Graphene Bilayers: Structure and Properties,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

332. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Internal Ordering and Electronic Structure of Self-Assembled Core/Shell-Like Quantum Dots,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

333. S. C. Pandey, J. Wang, T. J. Mountziaris, and D. Maroudas, “Interfacial Stability and Compositional Distribution Effects on Electronic Properties of ZnSe/ZnS Core/Shell Nanocrystals,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

334. R. M. Sehgal, D. J. Beltran-Villegas, D. Maroudas, D. M. Ford, and M. A. Bevan, “Characterization of Phase Behavior in Thermodynamically Small Systems Using Windowed Monte Carlo Umbrella Sampling,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

335. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Current-Driven Surface Morphological Stabilization of Coherently Strained Heteroepitaxial Thin Films,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.


336. G. I. Sfyris, D. Dasgupta, M. R. Gungor, and D. Maroudas, “Analysis of Current-Driven Morphological Evolution of Monolayer-Thick Coherently Strained Heteroepitaxial Islands On Substrates,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

337. D. Dasgupta, G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Surface Morphological Stability of Crystalline Solids Under Simultaneous Electromigration, Thermomigration, and Stress-Driven Surface Diffusional Mass Fluxes,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

338. D. Dasgupta, G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Effects of Anisotropic Mechanical Loading on the Current-Driven Dynamics of Voids In Metallic Thin Films,” AIChE Annual Meeting, October 2011, Minneapolis, Minnesota.

339. A. R. Muniz and D. Maroudas, “Clustering of Chemisorbed Hydrogen on Graphene Layers: Effects on the Structure and Morphology,” Sixth Brazilian Congress on Applications of Thermodynamics, November 2011, Salvador, Bahia, Brazil.

340. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Compositional Distribution and its Effect on the Electronic Properties of Semiconductor Ternary Quantum Dots,” MRS Fall Meeting, November 2011, Boston, Massachusetts.

341. A. R. Muniz and D. Maroudas, “Formation of Superlattice Structures by Interlayer Bonding in Twisted Bilayer Graphene,” APS March Meeting, March 2012, Boston, Massachusetts.

342. S. C. Pandey and D. Maroudas, “Compositional Distribution and Electronic Structure of Ternary Compound Semiconductor Nanocrystals,” APS March Meeting, March 2012, Boston, Massachusetts.

343. R. M. Sehgal, D. J. Beltran-Villegas, M. A. Bevan, D. Maroudas, and D. M. Ford, “Characterization of Phase Behavior in Assemblies of Colloidal Nanoparticles,” APS March Meeting, March 2012, Boston, Massachusetts.

344. A. Ramasubramaniam, C. Carpenter, and D. Maroudas, “Vacancy-induced Order-to-disorder Transition in Single-layer Graphene,” APS March Meeting, March 2012, Boston, Massachusetts.

345. G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Electromigration-driven Surface Morphological Stabilization of Coherently Strained Thin Films on Elastically Deformable Substrates,” APS March Meeting, March 2012, Boston, Massachusetts.

346. D. Dasgupta, G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Surface Morphological Stabilization of Crystalline Solids under the Simultaneous Action of Electric, Thermal, and Mechanical Fields,” APS March Meeting, March 2012, Boston, Massachusetts.

347. D. Maroudas, D. Dasgupta, and G. I. Sfyris, “Electromigration-driven Morphological Evolution of Monolayer-thick Epitaxial Islands on Substrates,” APS March Meeting, March 2012, Boston, Massachusetts.

348. S. C. Pandey, T. J. Mountziaris, and D. Maroudas, “Impact of Inorganic Internal Alloying and Surface Passivation on the Electronic Structure and Properties of Ternary Quantum Dots,” MRS Spring Meeting, April 2012, San Francisco, California.

349. A. R. Muniz and D. Maroudas, “Formation of Superlattice Structures by Interlayer Bonding in Twisted Bilayer Graphene,” XXXV Condensed Matter Physics National Meeting, May 2012, Águas de Lindóia, SP, Brazil.

350. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Onset of Crystallization in Assemblies of Colloidal Nanoparticles,” Twenty-third Conference on Crystal Growth and Epitaxy, American Association for Crystal Growth and Epitaxy, June 2012, Fallen Leaf Lake, California.


351. C. Carpenter, A. Ramasubramaniam, and D. Maroudas, “Analysis of Defect-Induced Amorphization of Single-Layer Graphene,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

352. A. R. Muniz and D. Maroudas, “Opening and Tuning of Band Gap by Formation of Nanodiamond Superlattices in Twisted Bilayer Graphene,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

353. A. R. Muniz and D. Maroudas, “Electronic and Mechanical Properties of Superlattices of Crystalline Domains Embedded in Twisted Bilayer Graphene,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

354. S. C. Pandey, X. Han, and D. Maroudas, “Toward Design of Semiconductor Ternary Quantum Dots with Optimal Optoelectronic Function,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

355. G. I. Sfyris, D. Dasgupta, and D. Maroudas, “Surface Stabilization of Heteroepitaxial Thin Films Induced by the Combined Action of Electric and Thermal Fields,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

356. D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Current-Driven Morphological Evolution of Monolayer-thick Epitaxial Islands on Elastic Substrates,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

357. D. Dasgupta, G. I. Sfyris, M. R. Gungor, and D. Maroudas, “Electromechanically Driven Nonlinear Dynamics of Voids in Metallic Thin Films Under Anisotropic Mechanical Stress,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

358. R. M. Sehgal, D. J. Beltran-Villegas, M. A. Bevan, D. Maroudas, and D. M. Ford, “Phase Behavior of Thermodynamically Small Assemblies of Colloidal Nanoparticles,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

359. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Toward a Systematic Coarse Grained Model of Phase Behavior in Assemblies of Colloidal Particles,” AIChE Annual Meeting, October-November 2012, Pittsburgh, Pennsylvania.

360. D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Electromigration-driven Dynamics of Single-layer Epitaxial Islands on Substrates,” APS March Meeting, March 2013, Baltimore, Maryland (APS Division of Materials Physics Iris Ovshinsky Student Travel Award to D. Dasgupta).

361. G. I. Sfyris, D. Dasgupta, and D. Maroudas, “Electromigration- and Thermomigration-driven Surface Morphological Stabilization of Coherently Strained Thin Films on Elastically Deformable Substrates,” APS March Meeting, March 2013, Baltimore, Maryland.

362. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Size and Interaction-strength Effects on the Phase Behavior of Colloidal Particle Assemblies,” APS March Meeting, March 2013, Baltimore, Maryland.

363. C. Carpenter, A. Ramasubramaniam, and D. Maroudas, “Defect-induced Amorphization of Single-layer Graphene: Structure and Mechanical Properties,” APS March Meeting, March 2013, Baltimore, Maryland.

364. A. R. Muniz and D. Maroudas, “Structural, Electronic, and Mechanical Properties of Superlattices of Interlayer-bonded Domains in Twisted Bilayer Graphene,” APS March Meeting, March 2013, Baltimore, Maryland.

365. X. Han, S. C. Pandey, and D. Maroudas, “Compositional Distribution in Semiconductor Ternary Quantum Dots and Its Effects on Their Optoelectronic Properties,” APS March Meeting, March 2013, Baltimore, Maryland.


366. A. R. Muniz and D. Maroudas, “Electronic Structure and Mechanical Properties of Domain Superstructures in Twisted Bilayer Graphene,” Frontiers of Soft Interfaces, UMass Materials Research Science and Engineering Center on Polymers, May 2013, Amherst Massachusetts.

367. A. Ramasubramaniam, C. Carpenter, and D. Maroudas, “The Influence of Defect-Induced Amorphization on the Structural and Mechanical Properties of Single-Layer Graphene,” Society of Engineering Science 50th Annual Technical Meeting, July 2013, Brown University School of Engineering, Providence, Rhode Island.

368. D. Maroudas, “Modeling of Mass Transport in Semiconductor Nanocrystals and Single-Layer Epitaxial Islands on Crystalline Substrates,” AIChE Annual Meeting, November 2013, San Francisco, California.

369. A. R. Muniz, A. S. Machado, and D. Maroudas, “Structural, Electronic, and Mechanical Properties of Superlattices of Interlayer-Bonded Domains in Twisted Bilayer Graphene,” AIChE Annual Meeting, November 2013, San Francisco, California.

370. C. Carpenter, A. Ramasubramaniam, and D. Maroudas, “Structural, Morphological, Electronic, and Mechanical Properties of Irradiated Single-Layer Graphene,” AIChE Annual Meeting, November 2013, San Francisco, California.

371. X. Han, S. C. Pandey, and D. Maroudas, “Effects of Composition and Compositional Distribution on the Optoelectronic Properties and Function of Semiconductor Ternary Quantum Dots,” AIChE Annual Meeting, November 2013, San Francisco, California.

372. X. Han and D. Maroudas, “Analysis of Charge Carrier Transport in Organic Photovoltaic Thin Films and Nanoparticle Assemblies,” AIChE Annual Meeting, November 2013, San Francisco, California.

373. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Analysis of Drift and Diffusional Transport of Mobile Helium Clusters in Near-Surface Regions of Plasma-Exposed Tungsten,” AIChE Annual Meeting, November 2013, San Francisco, California.

374. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Evolution of Plasma-Exposed Tungsten Surfaces due to Helium Diffusion and Bubble Growth,” AIChE Annual Meeting, November 2013, San Francisco, California.

375. D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Current-Driven Evolution of Single-Layer Epitaxial Islands and Island Pairs on Crystalline Solid Substrates,” AIChE Annual Meeting, November 2013, San Francisco, California.

376. D. Dasgupta, L. Du, G. I. Sfyris, and D. Maroudas, “Morphological Stabilization of Solid Surfaces Induced by the Combined Action of Electric Fields and Thermal Gradients,” AIChE Annual Meeting, November 2013, San Francisco, California.

377. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Coarse-Grained Modeling of the Phase Behavior of Thermodynamically Small Particle Assemblies,” AIChE Annual Meeting, November 2013, San Francisco, California.

378. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Coarse-Grained Description of Phase Behavior in 38-Member Clusters of Lennard-Jones Particles,” AIChE Annual Meeting, November 2013, San Francisco, California.

379. R. Thyagarajan, R. M. Sehgal, D. Maroudas, M. A. Bevan, and D. M. Ford, “Fundamental Thermodynamic and Kinetic Models for Self-Assembly of Small Clusters of Colloidal Particles,” AIChE Annual Meeting, November 2013, San Francisco, California.

380. A. R. Muniz, A. S. Machado, and D. Maroudas, “Computational Analysis of Electronic and Mechanical Properties of Graphene/Diamond Superstructures,” VII Brazilian Congress on Applied Thermodynamics, November 2013, Uberlandia, MG, Brazil.


381. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Energetics and Dynamics of Mobile Helium Clusters in Near-Surface Regions of Plasma-Exposed Tungsten,” 55th Annual Meeting of the APS Division of Plasma Physics, November 2013, Denver, Colorado.

382. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Evolution of Plasma-Exposed Tungsten Surfaces due to Helium Diffusion and Bubble Growth,” 55th Annual Meeting of the APS Division of Plasma Physics, November 2013, Denver, Colorado.

383. D. Maroudas and L. Hu, “Development of Drift-Diffusion Models of Mobile Helium Cluster Dynamics Near Surfaces of Plasma-Exposed Tungsten,” 55th Annual Meeting of the APS Division of Plasma Physics, November 2013, Denver, Colorado.

384. C. Carpenter, A. Ramasubramaniam, and D. Maroudas, “Structural, Morphological, Electronic, and Mechanical Properties of Irradiated Single-Layer Graphene,” MRS Fall Meeting, December 2013, Boston, Massachusetts.

385. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Coarse-Grained Model for Phase Behavior in Thermodynamically Small Assemblies,” MRS Fall Meeting, December 2013, Boston, Massachusetts (MRS Oral Presentation Award to R. M. Sehgal).

386. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Analysis of Drift and Diffusional Transport of Mobile Helium Clusters in Near-Surface Regions of Plasma-Exposed Tungsten,” MRS Fall Meeting, December 2013, Boston, Massachusetts.

387. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Evolution of Plasma-Exposed Tungsten Surfaces due to Helium Diffusion and Bubble Growth,” MRS Fall Meeting, December 2013, Boston, Massachusetts.

388. D. Dasgupta and D. Maroudas, “Electromigration-driven Assembly of Single-layer Epitaxial Islands on Substrates: An Approach to Nanopatterning,” APS March Meeting, March 2014, Denver, Colorado.

389. L. Du, D. Dasgupta, G. I. Sfyris, and D. Maroudas, “Inhibition of Surface Instabilities by Combined Action of Electric Fields and Thermal Gradients,” APS March Meeting, March 2014, Denver, Colorado.

390. A. Ramasubramaniam, C. Carpenter, A. R. Muniz, and D. Maroudas, “Elastic Properties of Graphene Nanomeshes,” APS March Meeting, March 2014, Denver, Colorado.

391. X. Han and D. Maroudas, “Analysis of Charge Carrier Transport in Organic Photovoltaic Thin Films and Nanoparticle Assemblies,” APS March Meeting, March 2014, Denver, Colorado.

392. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Phase Behavior of the 38-atom Lennard-Jones Cluster,” APS March Meeting, March 2014, Denver, Colorado.

393. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Describing the Phase Behavior of Thermodynamically Small Colloidal Particle Assemblies Using Coarse-Grained Free Energy Landscapes,” Workshop on Energy Landscapes: From Single Molecules to Soft Matter, August 2014, Durham, United Kingdom.

394. X. Han and D. Maroudas, “Analysis of Charge Carrier Transport in Organic Photovoltaic Active Layers,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

395. D. Dasgupta, L. Du, and D. Maroudas, “Rippling Instabilities on the Surface of Stressed Crystalline Solids,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

396. L. Du, D. Dasgupta, and D. Maroudas, “Stabilization of the Surface Morphology of Stressed Solids Using Electric Fields and Thermal Gradients,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.


397. D. Dasgupta and D. Maroudas, “Current-Driven Evolution of Single-Layer Epitaxial Islands on Crystalline Solid Conductors,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

398. A. R. Muniz, A. S. Machado, and D. Maroudas, “Mechanical Behavior of Interlayer-bonded Nanostructures Obtained from Bilayer Graphene,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

399. C. Carpenter, S. Wyant, L. Hu, A. R. Muniz, A. Ramasubramaniam, and D. Maroudas, “Elastic Properties and Fracture Mechanics of Graphene Nanomeshes,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

400. L. Hu and D. Maroudas, “Thermal Properties of Graphene Nanomeshes,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

401. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Transport and Reactions of Mobile Helium Clusters near Surfaces and Grain Boundaries of Plasma-Exposed Tungsten,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

402. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Large-Scale Simulation of Plasma-Facing Materials for Tokamaks and Linear Devices,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

403. R. M. Sehgal, D. M. Ford, and D. Maroudas, “Effects of Interaction Range, Interaction Strength, and System Size on the Phase Behavior of Small Clusters of Colloidal Particles,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

404. R. M. Sehgal and D. Maroudas, “Equilibrium Shape of Colloidal Crystals,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

405. R. Thyagarajan, R. M. Sehgal, D. Maroudas, M. A. Bevan, and D. M. Ford, “Low-Dimensional Dynamic Models of Colloidal Cluster Assembly Using Tunable Electric Fields,” AIChE Annual Meeting, November 2014, Atlanta, Georgia.

406. R. M. Sehgal and D. Maroudas, “Coarse-grained Analysis of the Phase Behavior of Thermodynamically Small Colloidal Clusters,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

407. L. Hu and D. Maroudas, “Thermal Transport Properties of Graphene Nanomeshes,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

408. C. Carpenter, S. Wyant, L. Hu, A. R. Muniz, A. Ramasubramaniam, and D. Maroudas, “Elastic Properties and Mechanical Behavior of Graphene Nanomeshes,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

409. D. Dasgupta and D. Maroudas, “Current-driven Assembly of Single-Layer Epitaxial Islands for Surface Nanopatterning,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

410. X. Han and D. Maroudas, “Analysis of Charge Carrier Transport in Organic Photovoltaic Active Layers,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

411. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Transport and Reactions of Mobile Helium Clusters near Surfaces and Grain Boundaries of Plasma-Exposed Tungsten,” MRS Fall Meeting, December 2014, Boston, Massachusetts.

412. X. Han and D. Maroudas, “Analysis of Charge Carrier Transport in Organic Photovoltaic Active Layers,” APS March Meeting, March 2015, San Antonio, Texas (APS Division of Materials Physics Iris Ovshinsky Student Travel Award to X. Han).

413. L. Hu, C. Carpenter, S. Wyant, A. R. Muniz, A. Ramasubramaniam, and D. Maroudas, “Mechanical Properties of Defective Graphene: a Comparative Study of Graphene


http://meeting.aps.org/Meeting/MAR15/Session/B41.12

http://meeting.aps.org/Meeting/MAR15/Session/B41.12

http://meeting.aps.org/Meeting/MAR15/Session/D1.13

Nanomeshes and Defect-Amorphized Graphene,” APS March Meeting, March 2015, San Antonio, Texas.

414. D. Dasgupta and D. Maroudas, “Current-driven Complex Dynamics of Single-layer Epitaxial Islands on Substrates,” APS March Meeting, March 2015, San Antonio, Texas.

415. A. Kumar, D. Dasgupta, and D. Maroudas, “Surface Nanopatterning Using Electric-field-driven Assembly of Single-layer Epitaxial Islands,” APS March Meeting, March 2015, San Antonio, Texas.

416. L. Du, D. Dasgupta, and D. Maroudas, “Nonlinear Analysis of Secondary Ripple Formation on Surfaces of Stressed Crystalline Solids,” APS March Meeting, March 2015, San Antonio, Texas.

417. R. M. Sehgal and D. Maroudas, “Effects of Interaction Range and Strength on the Phase Behavior of Small Clusters of Colloidal Particles,” APS March Meeting, March 2015, San Antonio, Texas.

418. D. Maroudas and R. M. Sehgal, “Equilibrium Shape of Colloidal Crystals,” APS March Meeting, March 2015, San Antonio, Texas.

419. L. Hu and D. Maroudas, “Thermal Transport Properties of Graphene Nanomeshes,” Spring 2015 Polymer Event, University of Massachusetts, May 2015, Amherst, Massachusetts.

420. L. Hu, M. Chen, A. Ramasubramaniam, and D. Maroudas, “Elastic Properties and Fracture Mechanics of Graphene Nanomeshes,” Spring 2015 Polymer Event, University of Massachusetts, May 2015, Amherst, Massachusetts.

421. C.-T. Lu, A. Weerasinghe, D. Maroudas, and A. Ramasubramaniam, “Mechanical Properties of Polymer-Graphene Composites,” Fall 2015 Polymer Event, University of Massachusetts, October 2015, Amherst, Massachusetts.

422. X. Han and D. Maroudas, “Charge Carrier Transport Modeling in Organic Photovoltaic Devices with Active Layers of P3HT/PCBM Self-Assembled Nanoparticles,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

423. X. Han and D. Maroudas, “ Charge Transport Modeling in Perovskite Hybrid Solar Cells,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

424. A. Kumar, D. Dasgupta, C. Dimitrakopoulos, and D. Maroudas, “Surface Nanopatterning By Electric-Field-Driven Assembly of Single-Layer Epitaxial Islands,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

425. D. Dasgupta and D. Maroudas, “Current-Driven Complex Dynamics of Single-Layer Epitaxial Islands on Crystalline Solid Substrates,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

426. L. Du, D. Dasgupta, and D. Maroudas, “Nonlinear Analysis of the Surface Morphological Evolution of Stressed Crystalline Materials and Heteroepitaxial Thin Films,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

427. A. Weerasinghe, A. Ramasubramaniam, and D. Maroudas, “Electronic and Mechanical Properties of Hydrogenated Irradiated and Amorphous Graphene,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

428. L. Hu, M. Chen, A. Ramasubramaniam, and D. Maroudas, “Mechanical Behavior and Properties of Graphene Nanomeshes,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

429. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Analysis of Mobile Helium Cluster Reactions Near Surfaces and Grain Boundaries of Plasma-Exposed Tungsten,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.


http://meeting.aps.org/Meeting/MAR15/Session/D1.13

http://meeting.aps.org/Meeting/MAR15/Session/L3.15






http://meeting.aps.org/Meeting/MAR15/Session/M16.13

http://meeting.aps.org/Meeting/MAR15/Session/M16.13

http://meeting.aps.org/Meeting/MAR15/Session/Z23.10

430. K. D. Hammond, L. Hu, D. Maroudas, and B. D. Wirth, “Microsecond-Length Atomistic Simulations of Plasma-Facing Materials,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

431. R. M. Sehgal and D. Maroudas, “Computation of the Equilibrium Morphology of Small Colloidal Crystals,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

432. R. M. Sehgal and D. Maroudas, “Phase Behavior of Thermodynamically Small Colloidal Particle Assemblies,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

433. R. M. Sehgal, M. A. Bevan, D. M. Ford, and D. Maroudas, “Local-Environment-Based Distance Metric for Dimensionality Reduction in Colloidal Self- Assembly,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

434. R. Thyagarajan, D. Maroudas, M. A. Bevan, and D. M. Ford, “Coarse-Grained Thermodynamic Models for Self and Directed Assembly of Small Ensembles of Colloidal Particles,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

435. R. Thyagarajan, D. Maroudas, and D. M. Ford, “Thermodynamic Study of Phase Behavior of Small Clusters of Colloidal Particles,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

436. R. Thyagarajan, D. Maroudas, M. A. Bevan, and D. M. Ford, “Low-Dimensional Thermodynamic Models for Self and Directed Assembly of Small Ensembles of Colloidal Particles,” AIChE Annual Meeting, November 2015, Salt Lake City, Utah.

437. D. Maroudas, L. Hu, K. D. Hammond, and B. D. Wirth, “Analysis of Helium Segregation on Surfaces of Plasma-Exposed Tungsten,” 57th Annual Meeting of the APS Division of Plasma Physics, November 2015, Savannah, Georgia.

438. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Analysis of Helium Cluster Dynamics near Grain Boundaries of Plasma-Exposed Tungsten,” 57th Annual Meeting of the APS Division of Plasma Physics, November 2015, Savannah, Georgia.

439. S. Blondel, D. Maroudas, L. Hu, K. D. Hammond, and B. D. Wirth, “Cluster dynamics modeling of He accumulation kinetics in W exposed to low-energy He plasma exposure,” 57th Annual Meeting of the APS Division of Plasma Physics, November 2015, Savannah, Georgia.

440. X. Han and D. Maroudas, “Charge Transport Modeling and Device Efficiency Optimization in Perovskite Hybrid Solar Cells,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

441. C.-T. Lu, A. Weerasinghe, D. Maroudas, and A. Ramasubramaniam, “Mechanical Properties of Graphene-Polymer Nanocomposites,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

442. L. Hu, M. Chen, A. Ramasubramaniam, and D. Maroudas, “Mechanical Properties of Graphene Nanomeshes,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

443. L. Hu, K. D. Hammond, B. D. Wirth, and D. Maroudas, “Analysis of Helium Segregation and Mobile Helium Cluster Reactions near Surfaces of Plasma-Exposed Tungsten,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

444. R. M. Sehgal and D. Maroudas, “Computation of Equilibrium Morphology and Structure in Small Colloidal Crystals,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

445. R. M. Sehgal, M. A. Bevan, D. M. Ford, and D. Maroudas, “Developing Machine Learning-Based Coarse-Grained Descriptions of Directed Assembly of Colloidal Particles,” MRS Fall Meeting, December 2015, Boston, Massachusetts.


446. R. Thyagarajan, D. Maroudas, and D. M. Ford, “Fundamental Thermodynamic Models for Self and Directed Assembly of Small Ensembles of Colloidal Particles,” MRS Fall Meeting, December 2015, Boston, Massachusetts.

447. S. Blondel, L. Hu, K. D. Hammond, D. Maroudas, and B. D. Wirth, “Scale-Bridging Modeling of Helium Segregation on Surfaces of Plasma-Exposed Tungsten,” 145th TMS Annual Meeting and Exhibition, February 2016, Nashville, Tennessee.


dimitrios maroudas curriculum vitae - umass...

Documents