computational mechanics lab - virginia tech

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Computational Mechanics Lab Carbon Nanotubes (CNT) Adiabatic Shear Bands (ASB) Micro-Eletcro-Mechanical Systems (MEMS) NanoIndentation Functionally Graded Materials (FGM) Biomechanics Equivalent continuum structure Buckling modes for a single walled CNT using molecular mechanics Shell Wall Columnar Columnar with crimping Torsional Multiwalled CNT tubes connected by trusses Buckling modes for a multi-walled CNT using molecular mechanics Columnar Shell Wall Crimped Vibration Analysis Torsion and Breathing modes A. Sears and R. C. Batra, Physical Review B, 69 (2004) 235406 A. Sears and R. C. Batra, Physical Review B, 73 (2006) 085410 R. C. Batra and A. Sears, International Journal of Solids and Structures, 44 (2007) 7577-7596 R. C. Batra and A. Sears, Modeling and Simulation in Materials Science and Engineering, 15 (2007) 835-844 Stress vs. strain curve for tungsten and nickel-iron (matrix) WHA an alloy (Tungsten spheres embedded within the matrix) with application in projectiles Effect of the Size of Tungsten Spheres ASB initiation criteria Microstructural Effects Microstructure is converted to patches each with the volume fraction of the region ASB initiation times in both cases was close R. C. Batra and B. M. Love, International Journal of Plasticity 22 (2006) 1858-1878 R. C. Batra and B. M. Love, Journal of Thermal Stresses 28 (2005) 747-782 R. C. Batra and M. H. Lear, International Journal of Plasticity 21 (2005) 1521-1545 R. C. Batra and W. G. Zei, International Journal of Impact Engineering 32 (2006) 947-967 B. M. Love and R. C. Batra, International Journal of Plasticity 22 (2006) 1026-1061 When rate of temperature increase at a point shows a jump 1D model for Narrow Electrically Actuated Microbeams Large deformation of beams : Electrostatic force: Accounts for fringing fields from all surfaces Pull-in instabilities of electrostatic MEMS using MLPG method Rectangular Circular Symmetric deformation Annular Disk Asymmetric deformation Annular Disk R. C. Batra, M. Porfiri, and D. Spinello Journal of Microelectromechanical Systems 15 (2006) 1175 R. C. Batra, M. Porfiri, and D. Spinello Engineering Analysis with Boundary Elements 30 (2006) 949 R. C. Batra, M. Porfiri, and D. Spinello Micro & Nano Letters 1 (2007) 71 R. C. Batra, M. Porfiri, and D. Spinello Europhysics Letters 77 (2007) 20010 R. C. Batra, M. Porfiri, and D. Spinello Journal of Sound and Vibrations 309 (2008) 600 R. C. Batra, M. Porfiri, and D. Spinello Smart Materials and Structures 16 (2007) 23 R. C. Batra and B.M. Love Journal of Thermal Stresses 28 (2005) 747-782 D. F. Gilhooley, J. R. Xiao, R. C. Batra, M. A. McCarthy, and J. W. Gillespie Computational Materials Science (accepted) G. M. Zhang and R. C. Batra Journal of Computational Physics 222 (2007) 374-390 A. J. M. Ferreira, R. C. Batra, C. M. C. Roque, L. F. Qian, and R. M. N. Jorge Composite Structures 75 (2006) 593-600 R. C. Batra AIAA Journal 44 (2006) 1363 Z. H. Jin and R. C. Batra Journal of Mechanics and Physics of Solids 44 (1996) 1221-1235 R. C. Batra and J. Jin Journal of Sound and Vibrations 282 (2005) 509-516 ASB in FGMs Instabilities in Atomic Systems Determination of conditions for nucleation of local instabilities Deformation of non-homogeneous regions 1.5 2 2.5 3 3.5 4 4.5 5 -4 -2 0 2 4 6 8 10 12 14 16 Tight Binding-SMA Potential Potential energy between two atoms [eV] Distance between two atoms [A] IDF factor an indicator of local instabilities 2D nanoindentation with cylindrical indenter Indentation region Continuum region Continuum region Handshake region Handshake region P x(x’) y z y z’ x y(y’) z x x y z x y z(z’) x’ y (I) (II I) (II) (I V) L h Shear X[100] Y[010] Continuum results from present configuration Atomic positions from previous configuration MM Simulations with LAMMPS Single walled CNT Hollow cylinders Vibration Analysis Bending modes Vibration Analysis MM [cm -1 ] 3D FE [cm -1 ] 22.270 22.268 209.008 206.493 209.166 209.578 MM [cm -1 ] 3D FE [cm -1 ] 5.513 5.546 14.472 14.552 26.624 26.763 Type I Type II Analysis of FGM using MLPG method Transparent Polymers Constitutive Equations for poly methyl methacrylate (PMMA) Constitutive equations to predict thermo-mechanical response of PMMA at high strain rate (none reported in literature) Instabilities in Transparent Polymers Uniaxial Compression How does the interaction of intrinsic strain softening and strain hardening trigger an instability? Analysis of Damage in Human Tissue due to Impact Develop constitutive equations for body tissues skin, bone, cartilage, etc. Model the human torso Impact of a ball at v 0 m/s on human body Study stress wave propagation Characterize damage on internal organs v 0 Molecular Mechanics (Tinker) MM3 Potential L & R: MM assume h 3-D Elasticity + 3-D Finite Elements Frequencies Modeshapes: Torsion, Axial Bending & Radial Breathing Static Deformations Elastic Properties & Geometry Yes No

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Page 1: Computational Mechanics Lab - Virginia Tech

Computational Mechanics LabCarbon Nanotubes (CNT) Adiabatic Shear Bands (ASB)

Micro-Eletcro-Mechanical Systems (MEMS)

NanoIndentation

Functionally Graded Materials (FGM) BiomechanicsEquivalent continuum structure

Buckling modes for a single walled CNT using molecular mechanics

Shell Wall Columnar Columnar with crimping

Torsional

Multiwalled CNT – tubes connected by trusses

Buckling modes for a multi-walled CNT using molecular mechanics

Columnar Shell Wall Crimped

Vibration Analysis – Torsion and Breathing modes

A. Sears and R. C. Batra, Physical Review B, 69 (2004) 235406

A. Sears and R. C. Batra, Physical Review B, 73 (2006) 085410

R. C. Batra and A. Sears, International Journal of Solids and Structures, 44 (2007)

7577-7596

R. C. Batra and A. Sears, Modeling and Simulation in Materials Science and

Engineering, 15 (2007) 835-844

Stress vs. strain curve for tungsten and nickel-iron (matrix)

WHA an alloy (Tungsten spheres embedded within the matrix) with application in projectiles

Effect of the Size of Tungsten Spheres

ASB initiation criteria

Microstructural Effects

Microstructure is converted to patches each with the volume fraction of the regionASB initiation times in both cases was close

R. C. Batra and B. M. Love, International Journal of Plasticity 22 (2006) 1858-1878

R. C. Batra and B. M. Love, Journal of Thermal Stresses 28 (2005) 747-782

R. C. Batra and M. H. Lear, International Journal of Plasticity 21 (2005) 1521-1545

R. C. Batra and W. G. Zei, International Journal of Impact Engineering 32 (2006) 947-967

B. M. Love and R. C. Batra, International Journal of Plasticity 22 (2006) 1026-1061

When rate of temperature increase at a point shows a jump

1D model for Narrow Electrically Actuated Microbeams

Large deformation of beams :

Electrostatic force:

Accounts for fringing fields from all surfaces

Pull-in instabilities of electrostatic MEMS using MLPG method

Rectangular Circular Symmetric deformation Annular Disk

Asymmetric deformation Annular Disk

R. C. Batra, M. Porfiri, and D. Spinello Journal of Microelectromechanical Systems 15 (2006) 1175

R. C. Batra, M. Porfiri, and D. Spinello Engineering Analysis with Boundary Elements 30 (2006) 949

R. C. Batra, M. Porfiri, and D. Spinello Micro & Nano Letters 1 (2007) 71

R. C. Batra, M. Porfiri, and D. Spinello Europhysics Letters 77 (2007) 20010

R. C. Batra, M. Porfiri, and D. Spinello Journal of Sound and Vibrations 309 (2008) 600

R. C. Batra, M. Porfiri, and D. Spinello Smart Materials and Structures 16 (2007) 23

R. C. Batra and B.M. Love Journal of Thermal Stresses 28 (2005) 747-782

D. F. Gilhooley, J. R. Xiao, R. C. Batra, M. A. McCarthy, and J. W. Gillespie Computational

Materials Science (accepted)

G. M. Zhang and R. C. Batra Journal of Computational Physics 222 (2007) 374-390

A. J. M. Ferreira, R. C. Batra, C. M. C. Roque, L. F. Qian, and R. M. N. Jorge Composite

Structures 75 (2006) 593-600

R. C. Batra AIAA Journal 44 (2006) 1363

Z. H. Jin and R. C. Batra Journal of Mechanics and Physics of Solids 44 (1996) 1221-1235

R. C. Batra and J. Jin Journal of Sound and Vibrations 282 (2005) 509-516

ASB in FGMs

Instabilities in Atomic SystemsDetermination of conditions for nucleation of local instabilitiesDeformation of non-homogeneous regions

1.5 2 2.5 3 3.5 4 4.5 5-4

-2

0

2

4

6

8

10

12

14

16

Tight Binding-SMA Potential

Po

ten

tia

l e

ne

rgy b

etw

ee

n tw

o a

tom

s [e

V]

Distance between two atoms [A]

IDF factor –an indicator of local instabilities

2D nanoindentation with cylindrical indenter

Indentation regionContinuum region

Continuum region

Handshake region

Handshake region

P

x(x’)

y

z

y

z’

x

y(y’)

zx

x

y

z

x

y

z(z’) x’

y

(I) (II

I)

(II) (I

V)

L

h

Shear

X[100]

Y[010]

Continuum results from

present configuration

Atomic positions from

previous configuration

MM Simulations with LAMMPS

Single walled CNT – Hollow cylinders

Vibration Analysis – Bending modes

Vibration Analysis

MM [cm-1] 3D FE [cm-1]

22.270 22.268

209.008 206.493

209.166 209.578

MM [cm-1] 3D FE [cm-1]

5.513 5.546

14.472 14.552

26.624 26.763

Type I Type II

Analysis of FGM using MLPG method

Transparent PolymersConstitutive Equations for poly methyl methacrylate (PMMA)

Constitutive equations to predict thermo-mechanical response of PMMA at high strain rate (none reported in literature)

Instabilities in Transparent Polymers

Uniaxial Compression

How does the interaction of intrinsic strain softening and strain hardening trigger an instability?

Analysis of Damage in Human Tissue due to Impact

Develop constitutive equations for body tissues – skin, bone, cartilage, etc.Model the human torso

Impact of a ball at v0 m/s on human bodyStudy stress wave propagationCharacterize damage on internal organs

v0

Molecular Mechanics (Tinker)MM3 Potential

L & R: MMassume h

3-D Elasticity+

3-D Finite Elements

FrequenciesModeshapes: Torsion,

AxialBending & Radial

BreathingStatic Deformations

Elastic Properties &

Geometry

Yes

No