Volume 538, Issue 1

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December 1998

Symposium J — Multiscale Modelling of Materials

Issue Editors:

V. Bulatov,
N. M. Ghoniem,
T. Kaxiras,
R. Phillips,
T. Diaz de la Rubia

80 articles in this issue

Dislocations and Plasticity in Silicon Crystals by 3-D Mesoscopic Simulations
L. P. Kubin
A. Moulin
P. Pirouz
OriginalPaper 10 February 2011 Pages: 3 - 14
On Dislocation Reactions and Hardening Mechanisms in 3D Dislocation Dynamics
H. M. Zbiib
M. Rhee
T. D. de la Rubia
OriginalPaper 10 February 2011 Pages: 15 - 26
Simulation of Dislocation Dynamics in the Continuum Limit
K. W. Schwarz
OriginalPaper 10 February 2011 Pages: 27 - 37
Discrete Dislocations Interacting with a Mode I Crack
H. H. M. Cleveringa
E. Van Der Giessen
A. Needleman
OriginalPaper 10 February 2011 Pages: 39 - 50
Atomic Scale Simulation of Cross Slip and Screw Dislocation Dipole Annihilation
Torben Rasmussen
OriginalPaper 10 February 2011 Pages: 51 - 62
Coupled Meso-Macro Simulations of Plasticity: Validation Tests
C. Lemarchand
B. Devincre
J. L. Chaboche
OriginalPaper 10 February 2011 Pages: 63 - 68
Dynamics of Dissociated Dislocations in SI: A Micro-Meso Simulation Methodology
W. Cai
V. V. Bulatov
A. S. Argon
OriginalPaper 10 February 2011 Pages: 69 - 75
Atomistic Simulations of Cross-Slip Processes in Model FCC Structures and L1₀ TiAl
S. Rao
OriginalPaper 10 February 2011 Pages: 77 - 85
Effect of Non-Glide Components of the Stress Tensor on Deformation Behavior of BCC Transition Metals
K. Ito
V. Vitek
OriginalPaper 10 February 2011 Pages: 87 - 92
Temperature Effects and Fast-Moving Screw Dislocations at High Strain Rate Deformations
A. Roos
E. D. Metselaar
E. Van Der Giessen
OriginalPaper 10 February 2011 Pages: 93 - 98
Three-Dimensional Numerical Simulation of Interacting Dislocations in a Strained Epitaxial Surface Layer
R. V. Kuktat
L. B. Freundt
OriginalPaper 10 February 2011 Pages: 99 - 105
Image Forces on 3D Dislocation Structures in Crystals of Finite Volume
A. El-Azab
OriginalPaper 10 February 2011 Pages: 107 - 112
A Peierls-Nabarro Model for Kink-Pair Generation in Screw Dislocations at Low Temperatures
A. H. W. Ngan
OriginalPaper 10 February 2011 Pages: 113 - 118
Kinetic Monte Carlo Simulation of Dislocation Dynamics
Karin Lin
D. C. Chrzan
OriginalPaper 10 February 2011 Pages: 119 - 124
Computer Simulation of Defect Production and Behaviour in Displacement Cascades in Metals
D. J. Bacon
F. Gao
Yu. N. Osetsky
OriginalPaper 10 February 2011 Pages: 127 - 138
Shock Wave Response of Materials at Different Length Scales
Y. M. Gupta
OriginalPaper 10 February 2011 Pages: 139 - 150
Evolution of Fractal Particles in Systems with Conserved Order Parameter
S. V. Kalinin
D. L. Gorbachev
Yu. D. Tretyakov
OriginalPaper 10 February 2011 Pages: 151 - 156
Multiscale Modeling of Recrystallization
M. A. Miodownik
E. A. Holm
R. Lesar
OriginalPaper 10 February 2011 Pages: 157 - 162
Computation of Microsegregation and Microstructure in Solidification with Fluid Convection
D. Juric
OriginalPaper 10 February 2011 Pages: 163 - 168
Modeling of Segregation and Microstructural Evolution near Grain Boundary in FE-CR-NI Alloy Under Irradiation
N. Sakaguchi
S. Watanabe
H. Takahashi
OriginalPaper 10 February 2011 Pages: 169 - 178
Characterizing and Modeling Plastic Strain Inhomogeneity in Thin Metallic Sheets
X. Li
W. Tong
OriginalPaper 10 February 2011 Pages: 179 - 184
Characterization of Cast Metals with Probability Distribution Functions
M. Steinzig
F. H. Harlow
OriginalPaper 10 February 2011 Pages: 185 - 190
Large Scale Molecular Dynamics Simulations of a Liquid Crystalline Droplet with Fast Multipole Implementations
Zhiqiang Wang
James Lupo
Ruth Pachter
OriginalPaper 10 February 2011 Pages: 191 - 196
Computational Modeling of Multiple Domain Pattern Formation
Tao Huang
Tomohiro Tsuji
Musa R. Kamal
OriginalPaper 10 February 2011 Pages: 197 - 202
From Molecular Dynamics to Kinetic Rate Theory: A Simple Example of Multiscale Modeling
Roger E. Stoller
Lawrence R. Greenwood
OriginalPaper 10 February 2011 Pages: 203 - 210
Kinetic Lattice Monte Carlo Simulations of Cascade Aging in Iron and Dilute Iron-Copper Alloys
B. D. Wirth
G. R. Odette
OriginalPaper 10 February 2011 Pages: 211 - 216
Kinetic Monte Carlo Simulations of Fecu Alloys
C. Domain
C. S. Becquart
J. C. Van Duysen
OriginalPaper 10 February 2011 Pages: 217 - 222
Atomistic Simulation of Mobile Defect Clusters in Metals
Yu. N. Osetsky
D. J. Bacon
A. Serra
OriginalPaper 10 February 2011 Pages: 223 - 228
Effective Interactions Approach to Phase Stability in Alloys Under Irradiation
Raúl A. Enrique
Pascal Bellon
OriginalPaper 10 February 2011 Pages: 229 - 234
Oxygen Vacancy Migration in Disordered Gd₂(Zr_xTi_1-x)₂O₇
R. E. Williford
W. J. Weber
J. D. Gale
OriginalPaper 10 February 2011 Pages: 235 - 240
The Role of Cluster Size and Topology on the Ripening of Defect Aggregates in Crystalline Si
Antonino La Magna
Salvatore Coffa
Luciano Colombo
OriginalPaper 10 February 2011 Pages: 241 - 246
Molecular Dynamics Simulations of Crystal Growth from Melted silicon: Defect Formation Processes
Manabu Ishimaru
Teruaki Motooka
OriginalPaper 10 February 2011 Pages: 247 - 250
A Study of Grain Growth and Microstructure Control in Silicon Nitride by Computer Simulation
Y. Okamoto
N. Hirosaki
H. Matsubara
OriginalPaper 10 February 2011 Pages: 251 - 255
A Unified Computational Approach to Oxide Aging Processes
Harold P. Hjalmarson
Peter A. Schultz
Daniel M. Fleetwood
OriginalPaper 10 February 2011 Pages: 257 - 262
Modeling of Failure in Metallic Thin Films Induced by Stress and Electromigration: A Multiscale Computational Analysis
M. R. Gungor
L. J. Gray
D. Maroudas
OriginalPaper 10 February 2011 Pages: 263 - 268
Coupled Simulations of Mechanical Deformation and Microstructural Evolution Using Polycrystal Plasticity and Monte Carlo Potts Models
C. C. Battaile
T. E. Buchheit
M. K. Neilsen
OriginalPaper 10 February 2011 Pages: 269 - 273
Surface Chemistry of CVD Diamond: Linking the Nanoscale and Mesoscale Modelling Hierarchies
I. I. Oleinik
D. G. Pettifor
J. E. Butler
OriginalPaper 10 February 2011 Pages: 275 - 284
Self-Consistent Kinetic Lattice Monte Carlo
Andrew Horsfield
Scott Dunham
Hideaki Fujitani
OriginalPaper 10 February 2011 Pages: 285 - 290
Linking ab initio Energetics to Experiment: Kinetic Monte Carlo Simulation of Transient Enhanced Diffusion of B in Si
Silva K. Theiss
M. J. Caturla
P. B. Griffin
OriginalPaper 10 February 2011 Pages: 291 - 295
Atomic-Scale Modeling of the Deformation of Nanocrystalline Metals
J. Schiøtz
T. Vegge
K. W. Jacobsen
OriginalPaper 10 February 2011 Pages: 299 - 308
AB-Initio Based Calculations of Vacancy Formation and Clustering Energies Including Lattice Relaxation in Fe₃Al
Leonid S. Muratov
Bernard R. Cooper
OriginalPaper 10 February 2011 Pages: 309 - 315
Vacancy Migration Barrier Energetics and Pathways in Silica
L. R. Corrales
R. M. Van Ginhoven
H. Jónsson
OriginalPaper 10 February 2011 Pages: 317 - 321
Multiscale Simulations of the RF Diode Sputtering of Copper
H. N. G. Wadley
W. Zou
D. X. Wang
OriginalPaper 10 February 2011 Pages: 323 - 328
Measurement of Planar Fault Energies in Ni₃Ge-Fe₃Ge Intermetallic Alloys
Mukul Kumar
T. J. Balk
K. J. Hemker
OriginalPaper 10 February 2011 Pages: 329 - 334
Multiscale Analysis of Interfacial Stability and Misfit Dislocation Formation in Layer-By-Layer Semiconductor Heteroepitaxy
L. A. Zepeda-Ruiz
D. Maroudas
W. H. Weinberg
OriginalPaper 10 February 2011 Pages: 335 - 340
First-Principles Study of SI(lll) Homoepitaxy
Kyeongjae Cho
Efthimios Kaxiras
OriginalPaper 10 February 2011 Pages: 341 - 345
An Effect of Hydrostatic Compression on Defects in Energetic Materials: AB Initio Modeling Maija
M. Kuklja
A. Barry Kunz
OriginalPaper 10 February 2011 Pages: 347 - 352
Understanding Structure and Electronic Properties of Extended Self-Interstitial Defects in Silicon
P. Alippi
L. Colombo
OriginalPaper 10 February 2011 Pages: 353 - 358
A Study of Vacancies in Pure Aluminium and Their Role in the Diffusion of Lithium in a Dilute Al-Li Alloy Using the Embedded Atom Model
P. M. Derlet
R. Hoier
N. Ryum
OriginalPaper 10 February 2011 Pages: 359 - 369
First-Principles Study of π-Bonded (100) Planar Defects in Diamond
Peter Zapol
Larry A. Curtiss
Dieter M. Gruen
OriginalPaper 10 February 2011 Pages: 371 - 376

Volume 538, Issue 1

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