table of contents - the minerals, metals & materials society · transitions of dislocation...

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v TABLE OF CONTENTS Supplemental Proceedings: Volume 2: Materials Characterization, Computation, Modeling and Energy The Vasek Vitek Honarary Symposium on Crystal Defects, Computational Materials Science and Applications Pushing Boundaries: Symposium Honors the Contributions of Vasek Vitek ........................................................................................ 3 Dislocations I Dislocation Nucleation and Re-Ordering of Bicrystal Interfaces ............................................................................................ 5 G. Tucker, and D. McDowell Mechanical Properties Breakdown of Relationship between Chemichal Bonding and Deformation Behavior in Crystalline Materials ............................... 13 P. Panfilov, Y. Gornostyrev, and A. Kuznetsov Transitions of Dislocation Glide to Twinning and Shear Transformation in Shock-Deformed Tantalum ................................ 25 L. Hsiung, G. Campbell, and J. McNaney Multiscale Modeling of Thin Films: Linking Dislocation Dynamics with Macroscopic Mechanical Behavior ........................ 33 R. Fertig, and S. Baker

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Page 1: Table of Contents - The Minerals, Metals & Materials Society · Transitions of Dislocation Glide to Twinning and Shear Transformation in Shock-Deformed Tantalum.....25 L. Hsiung,

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

The Vasek Vitek Honarary Symposium on Crystal Defects, Computational Materials

Science and Applications Pushing Boundaries: Symposium Honors the Contributions of Vasek Vitek........................................................................................3

Dislocations I

Dislocation Nucleation and Re-Ordering of Bicrystal Interfaces ............................................................................................5 G. Tucker, and D. McDowell

Mechanical Properties

Breakdown of Relationship between Chemichal Bonding and Deformation Behavior in Crystalline Materials...............................13 P. Panfilov, Y. Gornostyrev, and A. Kuznetsov Transitions of Dislocation Glide to Twinning and Shear Transformation in Shock-Deformed Tantalum................................25 L. Hsiung, G. Campbell, and J. McNaney Multiscale Modeling of Thin Films: Linking Dislocation Dynamics with Macroscopic Mechanical Behavior ........................33 R. Fertig, and S. Baker

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Crystal Defects and Mechanical Properties The Strength and Deformation of Gum Metak ................................41 J. Morris, E. Withey, R. Sankaran, A. Minor, and D. Chrzan Deformation of Preciptate Platelets in High Strength Aluminum Alloys under High Strain-Rate Compression ................47 K. El-Khodary, W. Lee, L. Sun, B. Cheeseman, D. Brenner, and M. Zikry Propagation of Shear Transformation Zone at Sound Velocity in Metallic Glass ..............................................................................53 S. Takeuchi, Y. Kamimura, T. Yoshihara, and K. Edagawa

Dislocations II

Dislocation Statistics in FCC Crystals .............................................61 M. Mohamed, J. Deng, and A. El-Azab

Poster Session

Dislocation-based Modeling of Yield Strength of Multilayer Thin Films with Nanoscale Microstructures ....................................69 Q. Li Thermodynamic Study of the Neptunium-Zirconium System.........75 S. Bajaj, A. Garay, R. Arroyave, C. Sevik, T. Cagin, and P. Turchi Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Advanced Materials and Fuels Enabling Future

Fusion, Fission and Hybrid Reactor Systems

Session I Interatomic Forces in Stainless Steels..............................................85 G. Ackland, and D. Hepburn TEM Study of Oxide Nanoparticles in ODS Steels Developed for Radiation Tolerance....................................................................93 L. Hsiung, M. Fluss, J. Kuntz, B. El-Dasher, W. Choi, and S. Tumey Thermo-Mechanical Response of a TRISO Fuel Particle in a Fusion/Fission Engine for Incineration of Weapons Grade Plutonium .......................................................................................101 M. Caro, P. DeMange, J. Marian, and A. Caro Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Advances in Composite, Cellular and Natural

Materials

Natural Materials and Polymer Matrix Composites Development of Eco-Friendly Brake Friction Composites............107 Y. Lu, B. Suo, H. Wang, and Y. Lu Energy Attenuation Capability of Woven Natural Silk (WNS)/Epoxy Composites Plates Subjected to Drop-Weight Impacts ...........................................................................................115 A. Ude, C. Azhari, and K. Sopian Structure and Capability of TiB2/UHMWPE Composite Shielding Material for Nuclear Radiation ......................................123 X. Cao, X. Xue, and T. Zhang

Cellular and Porous Materials

Mechanical and Biological Properties of Titanium Syntactic Foams .............................................................................................129 X. Xue, V. Kearns, R. Williams, and Y. Zhao Mechanical Properties of LCS Porous Steel: Comparison between the Dissolution and Decomposition Routes.....................137 M. Lu, and Y. Zhao

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Metal Foams I Formation and Disappearance of Crack-Like Pores for Al Foams Made by PM Route.............................................................143 L. Wang, G. Yao, X. Zhang, Y. Liu, and J. Ma Mechanical Damping Properties of Al-Si Closed-Cell Aluminum Foam ............................................................................149 Y. Mu, G. Yao, and H. Luo Sound Absorption of Closed-cell Aluminum Foam Fabricated by Melt Foaming Route .................................................................157 L. Liang, Y. Mu, L. Wang, Z. Hua, J. Ma, and G. Yao

Metal Matrix Composites

Fabrication of Al6061-SiC Composite by a Novel Semisolid Powder Processing .........................................................................165 Y. Wu, G. Kim, I. Anderson, and T. Lograsso Un-bundled Carbon Nanotubes Reinforced Titanium Composites via Powder Metallurgy Process..................................173 K. Kondoh, T. Threrujirapapong, H. Imai, J. Umeda, and B. Fugetsu Fabrication of High Strength Pure Ti Matrix Composite Reinforced with Carbon Black Particle via Wet Process...............181 T. Threrujirapapong, K. Kondoh, H. Imai, J. Umeda, and B. Fugetsu Microstructural Evaluation of ZrC Reinforced Al-Cu Matrix Alloy Composites Fabricated by Mechanical Alloying and Vacuum Hot Pressing.....................................................................189 H. Kaftelen, N. Unlu, M. Ovecoglu, and H. Henein

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Functional Composite Materials Extreme Piezoresistivity of Silicone/Nickel Nanocomposites for High Resolution Large Strain Measurement ............................197 O. Johnson, G. Kaschner, T. Mason, D. Fullwood, T. Hyatt, B. Adams, and G. Hansen Synthesis and Microstructural Evolution of SiC/Si3N4/Si2N2O Nitride Porous Ceramic Composites Processed via HYSYCVD..............................................................207 M. Pech-Canul, and J. Flores-Garcia Long Term Thermal Stability of Al2O3 Fiber (Sapphire) Reinforced NiAl Composites .........................................................215 J. Song, W. Hu, and G. Gottstein

Metal Foams II and Modelling of Composites

An Accurate and Efficient Method for Constituent-Based Progressive Failure Modeling of a Woven Composite ..................223 R. Fertig SMT Reflow Jig Material Analysis ...............................................231 X. Ma Microstructure in Work-Hardened Micro-Truss Materials Given Post-Forming Annealing Treatments ..................................239 B. Bouwhuis, U. Klement, and G. Hibbard Compressive Properties of Closed-Cell Aluminum Foams Reinforced with Fly Ash Particles .................................................247 Y. Mu, G. Yao, and H. Luo The Influence of Cell Shape Anisotropy on the Compressive Property of Closed-Cell Al-Si Alloy Foam....................................253 Y. Mu, and G. Yao

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Study on Compressive Properties of Aluminum Foams Reinforced with Short Copper-Coated Carbon Fibers ...................259 J. Du, G. Yao, and Z. Cao Research on Aluminum Foam Railway Noise Barrier...................267 L. Liang, G. Yao, L. Wang, Y. Mu, Z. Hua, and J. Ma

Poster Session

Effects of Particle Sizes of Titanium Hydride on Cell Structures for Al Foams .................................................................275 L. Wang, G. Yao, H. Luo, L. Liang, J. Ma, and Z. Hua On Closed-cell Aluminum Foam Used as Train Floor and Side Plate................................................................................................281 L. Liang, G. Yao, Y. Mu, and L. Wang Nanocrystalline Al4Si3C6 Formed in Low Temperature Sinter Processing ......................................................................................289 L. Xiaodan, Z. Yuchun, Q. Feng, and Z. Haixin Preparation of Aluminum Matrix Composites Reinforced with Nano-SiC Particles by Stir Casting Technique ..............................295 L. Xiaodan, Z. Yuchun, Q. Feng, and Z. Haixin Effect of Vacuum Degassing on Composites Preparation .............301 C. Dehui, Y. Guangchun, K. Wei, and Z. Xiaoming Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Computational Thermodynamics and Kinetics

Phase Field, CALPHAD and Other Modeling

Techniques A Mixed-mode Model for Precipitation in Al-Mg-Si Alloys ........309 A. Bahrami, A. Miroux, J. Sietsma, and L. Kestens Thermodynamics, Structural Properties and Transformation Behavior of CoNiGa Alloys from First Principles.........................317 R. Arroyave, A. Junkaew, A. Garay, A. Chari, and C. Yao Occupancy Probability of α Sublattice Of D022-Ni3V In Ni- Al-V System: Determined by Microscopic Phase Field ................325 J. Zhang, H. Zhuang, and Z. Chen

Poster Session

Using Size Distributions for Determining Growth Mechanisms of Grain Boundary Precipitates......................................................333 S. Northover Kinetics of ALN Precipitation in the Ferrite Phase Field of Microalloyed (HSLA) Steels..........................................................341 R. Radis, and E. Kozeschnik

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Modeling of Phase Transformation Behaviors by Cementite Formation at Isothermal Bainite Transformation Region in TRIP-Assisted Steels......................................................................349 B. Park, J. Choi, S. Kim, and K. Lee Modeling of Cementite Formation in Extra and Ultra Low Carbon Steels .................................................................................357 J. Choi, B. Park, S. Kim, K. Lee, and K. Lee Simulation of Decarburizing Depth In AISI 1074 Steel with Spheroidite Microstructure.............................................................365 L. Quan, L. Cerully, and T. Sanders Kinetics of Corrosive Defects Formed on Au Substrates Accompanied by Alkanethiol Monolayer Assembly in the Presence of Oxygen........................................................................373 Z. Cao, P. Zeng, X. He, D. Huang, and L. Zhang Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Heterogeneous Nucleation and Initial

Microstructure Evolution in Alloys and Colloids

Experiment-I Study of Heterogeneous Nucleation in High Purity Al-Si Alloys with Sr Addition .................................................................381 P. Schumacher

Experiment-II

Heterogeneous Nucleation in Liquid Immiscible Alloys...............389 M. Koehler, and L. Ratke Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Hume-Rothery Symposium: Configurational

Thermodynamics of Materials

Session V Quantitative Phase-field Simulations of Growth and Coarsening in Polycrystalline Multi-component and Multi- phase Materials ..............................................................................399 N. Moelans, L. Vanherpe, J. Heulens, B. Rodiers, B. Blanpain, and P. Wollants Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Materials in Clean Power Systems V: Clean Coal-, Hydrogen Based-Technologies, Fuel

Cells, and Materials for Energy Storage

Materials for Hydrogen Production, Storage, and Distribution

Hydrogen Storage using Electric Field Enhanced Adsorption ......413 J. Hwang, S. Shi, X. Sun, S. Hackney, and X. Li Effect of Hydrogen on the Mechanical Behavior of AISI 4340 and SA372 Steels ...........................................................................421 A. Saigal, J. Aguaze, G. Leisk, C. Marchi, and D. Matson

SOFC - I

Degradation of SOFC Anodes and SOFC Performance in Coal Syngas Containing Phosphine........................................................429 H. Finklea, O. Demircan, J. Zondlo, and C. Xu Effects of Phosphine on Solid Oxide Fuel Cell Performance and Related Anode Surface Temperature Measurement................435 H. Guo, G. Iqbal, and B. Kang Sintering Performance of YSZ Ceramics with Transition Metal Oxide Sintering Aid.............................................................443 S. Sofie, M. Lifson, and C. Law

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Modeling of Total and Topologically Connected Triple Phase Boundaries in Composite Cathodes for Solid Oxide Fuel Cells ....451 A. Gokhale, and S. Zhang Reliability Model for Different Configurations of Planar- SOFC Anode under Syngas Contaminants ....................................459 G. Iqbal, H. Guo, and B. Kang

SOFC - II

Coating of Dense Oxide Layer on the Fe-Cr Alloys for Interconnects of Solid Oxide Fuel Cells ........................................467 T. Horita, H. Kishimoto, K. Yamaji, M. Brito, and H. Yokokawa Interactions between (Mn,Co)3O4 SOFC Interconnect Coating Materials and Chromia...................................................................473 J. Fergus, K. Wang, and Y. Liu

PEM and Batteries

Sol-gel Derived Lithium Iron Phosphate Films for Efficient Lithium-ion Intercalation ...............................................................481 Y. Liu, D. Liu, Q. Zhang, B. Garcia, and G. Cao Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Nuclear Energy: Processes and Policies

Material Behavior

In-plane Anisotropy in Microstructure and Mechanical Behavior of Alloy 617 following High Temperature Aging..........491 K. Mo, G. Lovicu, H. Tung, X. Chen, and J. Stubbins Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Polymer Nanocomposite

Polymer Nanocomposites: Metals and other

Nanoparticles Electrical Resistance Investigation of Cotton Fabrics after Treating with Polyaniline Solution ................................................501 C. Gunesoglu, S. Gunesoglu, S. Wei, and Z. Guo Design, Synthesis, and Characterization of Polymer Matrix Nanophosphor Composite Scintillators..........................................509 M. Barta, J. Nadler, and Z. Kang

Polymer Nanocomposites: Fabrication,

Characterization, Modeling and Applications Negative Permittivity in Polymer Nanocomposites: Influences of Size Distribution of Carbon Nanofiber Networks .....................517 B. Li, and W. Zhong Effect of Melt Flow Rate on the Properties of Polypropylene/Bentonite Nanocomposites ....................................525 T. Alves, L. Carvalho, E. Canedo, P. Cipriano, and V. Fernandes Modification of Nanocrystal-Polymer Composite Electrolyte by Ethelene Glycol for Dye-Sensitized Solar Cell.........................533 Y. Ying, and G. Xueyi

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Catalytic Reduction of Nitrates using Modified Double Layered Hydroxides .......................................................................541 J. Gomes, G. Irwin, K. Das, M. Rahate, D. Tran, and D. Cocke Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Solar Cell Silicon

Production and Recycling

Hierarchy of Slurry Recycling Options..........................................551 W. Radeker Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Stochastic Methods in Materials Research

Stochastic Methods I: New Algorithms and Model

Building Fractal Analysis of Microstructural Images for Evaluation of HSLA Steel ....................................................................................567 M. Tarafder, I. Chattoraj, S. Das, M. Nasipuri, and S. Tarafder Monte Carlo Method for Electromagnetic Scattering Incorporating Finite Element Methods to Generate Scatter Sources for Nanoscale Inclusions in Composites ..........................577 E. Sapper, and B. Hinderliter

Stochastic Methods II: Property Prediction and

Material Design Multiscale Entropy Analysis of the Portevin-Le Chatelier Effect in an Al-2.5%Mg Alloy.......................................................585 A. Sarkar, P. Barat, and P. Mukherjee Modeling Stochastic Interaction between Fatigue Damage Evolution and Random Heterogeneities ........................................593 Y. Xue Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Surface Engineering for Amorphous-, Nanocrystalline-, and Bio-Materials

Session I

Evolution of Microstructure in Laser Clad Coatings Studied by Orientation Imaging Microscopy ..............................................601 V. Ocelík, I. Furár, and J. Hosson Wear Resistance and Adherence of TiO2 Sol-Gel Thin Films.......609 M. Alterach, P. Favilla, M. Rosenberger, A. Ares, and C. Schvezov

Session II

Nanostructured Bio-scaffold for Bone Implants, Stents: A Biomedical Evolution ....................................................................617 S. Aich, C. Shekhar, and M. Mishra Fabrication and Characterization of TiO2 Films on Ti-6Al-4V by Anodic Oxidation......................................................................625 M. Vera, A. Ares, M. Rosenberger, D. Lamas, and C. Schvezov

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Session III Surface Amorphization in "Chromium-On-Silicon" System Resulted by Compression Plasma Action ......................................633 V. Uglov, N. Kvasov, Y. Petukhou, V. Astashynski, and A. Kuzmitski Laser and E-Beam Generated Micro-Nanostructures on the Surface of Amorphous Chalcogenide Layers ...............................641 S. Kokenyesi, V. Takats, I. Chernovich, M. Trunov, A. Csik, and C. Cserhati A High Throw Bright Acid Copper for Rack Plating of Printed Circuit Boards ................................................................................649 X. Faxin, and S. Xiaoni

Session IV

The Effect of Frequency of Microarc Oxidation on Surface Properties of 7075 Aluminum Alloys ............................................657 S. Bozkus, M. Baydogan, H. Cimenoglu, and E. Kayali A Novel High Throw Bright Acid Tin Plating of Printed Circuit Boards ................................................................................663 X. Faxin, and S. Xiaoni A High Speed Electroless Copper Plating Process of Printed Circuit Board from EDTA•2Na -Containing Solution...................671 X. Faxin, S. Xiaoni, and N. Fei Influence of Process Parameters for Electroless Plating Nickel Alloy Nanoparticles on Carbon Fibers...........................................679 J. Ma, Y. Guangchun, B. Li, Z. Xiao, and M. Junfei Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Thermo-Mechanical Response of Molecular

Solids: Multi-Resolution Theory, Simulations, and Experiments

Molecular Solids II

Elastic Deformation Mechanics of Cellulose Nanocrystals...........689 X. Wu, R. Wagner, A. Raman, R. Moon, and A. Martini Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Three-Dimensional Materials Science VI

Three-Dimensional Crystallography and Grain

Boundary Analysis Crystallographic Orientation Determined from the Pattern of Solidified Structure ........................................................................699 H. Esaka, and K. Shinozuka

Applications of 3D Microstructural Data

3D Characterisation of Fatigue Cracks Using X-Ray Tomography: From Synchrotron to Laboratory Sources ...............705 J. Buffiere, N. Limodin, J. Rethoré, W. Ludwig, A. Gravouil, F. Hild, and S. Roux Modeling the Effect of Eutectic Nucleation Behavior on Permeability during Solidification of Al-19.5wt%Cu ...................713 E. Khajeh, and D. Maijer Microstructures Simulation of Magnesium-Based Alloys during Solidification by Phase-Field Method ................................721 T. Jing, and M. Wang Author Index ..................................................................................811 Subject Index..................................................................................817

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TABLE OF CONTENTS Supplemental Proceedings: Volume 2:

Materials Characterization, Computation, Modeling and Energy

Ultrafine Grained Materials - Sixth

International Symposium

Stability A Study of the Thermal Stability of Nano-Twinned Copper.........731 C. Saldana, S. Suslov, M. Hudspeth, E. Stach, and S. Chandrasekar

Characterization and Computational Modeling

Microstructure Evolution through Heavy Compression Aided by Thermodynamic Calculations ...................................................739 F. Hajiakbari, M. Nili-Ahmadabadi, B. Poorganji, and T. Furuhara

Mechanical Response

Microstructures and Mechanical Properties of Ultrafine Grained Medium Carbon Steel Processed By HPT at Increased Temperature ...................................................................................747 J. Zrnik, R. Pippan, S. Scheriau, and L. Kraus Mechanical Evaluation of Heavily Drawn Fe-Ni-Mn Martensitic Steel ............................................................................749 H. Ghasemi-Nanesa, M. Nili-Ahmadabadi, and H. Shirazi

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Processing Technologies Mechanical and Dry Sliding Wear Behavior of Ultrafine- Grained AISI 1024 Steel Processed Using Multi Axial Forging ...757 A. Padap, G. Chaudhari, and S. Nath

Microstructural Evolution

Recrystallization of Tantalum Processed by Equal Channel Angular Pressing ............................................................................765 J. House, J. Bingert, P. Flater, J. O'Brien, W. Hosford, R. DeAngelis, and R. Harris

Deformation and Processing Mechanics

Plastic Deformation in Nanocrystalline and Ultrafine Carbon Steel................................................................................................773 R. Rodríguez-Baracaldo, J. Páramo, and J. Marrero

Applications and Transitions

Processing and Oxidation Resistance of Nanocrystalline Fe-Cr Alloys .............................................................................................781 R. Gupta, R. Singh, and C. Koch

Processing-Microstructure-Properties I

The Brittle-to-Ductile Transition in Severely Deformed Low Carbon Steel ...................................................................................787 M. Tanaka, K. Higashida, and T. Shimokawa

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Processing-Microstructure-Properties II Implications of Deformation under Constraint in Development of UFG Microstructure in an Austenitic Stainless Steel ................795 C. Gupta, J. Singh, S. Mulki, R. Kapoor, A. Sarkar, I. Samajdar, and J. Chakravartty

Poster Session

Influence of Stacking Fault Energy on Microstructures and Mechanical Properties of FCC Metals by Equal Channel Angular Pressing ............................................................................803 Y. Zhang, J. Wang, and J. Liu Author Index ..................................................................................811 Subject Index..................................................................................817