Modeling and numerical simulation of materials behavior and evolution : symposium held April 2-5, 2002, San Francisco, California, U.S.A. / editors, Antonios Zavaliangos, Veena Tikare, Eugene A. Olevsky.

Format:

Book

Contributor:

Zavaliangos, Antonios.

Tikare, Veena

Olevsky, Eugene A.

Anne and Joseph Trachtman Memorial Book Fund.

Series:

Materials Research Society symposia proceedings ; 731.

Materials Research Society symposia proceedings

Language:

English

Subjects (All):

Materials--Mathematical models--Congresses.

Materials.

Materials--Mathematical models.

Genre:

Conference papers and proceedings.

Physical Description:

xi, 322 pages : illustrations ; 24 cm.

Place of Publication:

Warrendale, Pa. : Materials Research Society, [2002]

Contents:

Materials Research Society Symposium Proceedings xii

Multiscale Modeling

Damage Mechanisms of Filled Siloxanes for Predictive Multiscale Modeling of Aging Behavior / Bryan Balazs, Robert Maxwell, Steve deTeresa, Long Dinh, Rick Gee 3

Dynamics and Thermodynamics of a System With Multiple Length Scales / Stefano Curtarolo, Gerbrand Ceder 9

Multiscale Modeling of Wave Propagation: FDTD/MD Hybrid Method / Krishna Muralidharan, Pierre A. Deymier, Joseph H. Simmons 15

Multiscale Modeling of Point Defects and Free Surfaces in Semi-Infinite Solids / V.K. Tewary 21

Dimension and Damage Control in Sintering of Multilayer Powder Composites / Eugene A. Olevsky, Andrey L. Maximenko, John H. Arterberry, Veena Tikare 27

Direct Simulation Monte Carlo Calculation: Strategies for Using Complex Initial Conditions / Michael I. Zeifman, Barbara J. Garrison, Leonid V. Zhigilei 33

Mechanical Properties

Simulations of Dislocation Dynamics in Aluminum Interconnects / Lucia Nicola, Erik Van der Giessen, Alan Needleman 41

[left angle bracket]100[right angle bracket] Dislocation Loop Formation and Characterization in Ferritic Materials: Comparison Between Experiments and Modeling / Jaime Marian, Brian D. Wirth, Robin Schaublin, J. Manuel Perlado 47

Stochastic Dislocation Dynamics Under Creep Conditions in Metals / Masato Hiratani, Hussein M. Zbib 53

The Virial Stress is Not a Measure of Mechanical Stress / Min Zhou 59

Non-Local Elasticity Kernels Extracted From Atomistic Simulations / R.C. Picu 71

Three Dimensional Modeling of Anisotropic Stress Effects in Thermal Oxidation of Silicon / Xiaopeng Xu, Norbert Strecker, Victor Moroz 77

Further Investigation and Application of the Principle of Correspondence Between Elastic and Piezoelectric Problems / Edgar Karapetian, Larissa Gorbatikh 83

Modeling and Numerical Simulations of Microdiffraction From Deformed Crystals / R.I. Barabash, G.E. Ice, F.J. Walker 89

Simulation of Polycrystalline Ceramics With Micro-Cracks / Jianwu Cao, Yoshihisa Sakaida, Yasuo Nagano, Hiroshi Kawamoto 97

Computer Simulation Studies of Fracture in Vitreous Silica / Romulo Ochoa, Michael Arief, Joseph H. Simmons 103

Transport Phenomena

Time Dependence of the Segregation of Diffusing Solute in Nanocrystalline Materials / Irina V. Belova, Graeme E. Murch 111

Migration of Aluminum Atoms in the Transformation of [gamma]- to [theta]-Alumina / Shu-Hui Cai, Karl Sohlberg 117

Estimation of the Phenomenological Effective Diffusivity in Nanocrystalline Materials / Irina V. Belova, Graeme E. Murch 123

The Simulation of Copper Drift in SiO[subscript 2] During Bias Temperature Stress (BTS) Test / Jang-Yeon Kwon, Ki-Su Kim, Young-Chang Joo, Ki-Bum Kim 129

Theoretical Investigation of Thermal Conductivity in Wurtzite GaN / Dmitri Kotchetkov, Jie Zou, Alexander A. Balandin 135

Large-Scale Molecular Dynamics Simulations of Interstitial Defect Diffusion in Silicon / David A. Richie, Jeongnim Kim, Richard Hennig, Kaden Hazzard, Steve Barr, John W. Wilkins 141

Phase Transformations

Phase Transformations of Anatase TiO[subscript 2] on Cation Intercalation From First Principles Simulation / Marina V. Koudriachova, Nicholas M. Harrison, Simon W. de Leeuw 149

How Do Martensitic Twin Boundaries Move? / Graeme J. Ackland, Udomsilp Pinsook 155

Microstructure and Its Evolution

Control of Primary Particle Size and the Onset of Aggregate Formation: The Effect of Energy Release in Nanoparticle Collision and Coalescence Processes / Karl E.J. Lehtinen, Michael R. Zachariah 163

A Multiparticle Simulation of Powder Compaction Using Finite Element Discretization of Individual Particles / Antonios Zavaliangos 169

Effects of Triple Line Tension on the Surface Topography of Polycrystals / Jon L. Hilden, Alexander H. King 177

Phase Separation in Alumina-Chromia / M.S. McIntosh, T.H. Sanders Jr., J.M. Hampikian 183

Recent Developments in Simulating Grain Growth With Monte Carlo Algorithms / Qiang Yu, Sven K. Esche 189

Large Scale Statistics for Computational Verification of Grain Growth Simulations With Experiments / Melik C. Demirel, Andrew P. Kuprat, Denise C. George, Galen K. Straub, Amit Misra, Kathleen Alexander, Anthony D. Rollett 195

Numerical Simulations of Microstructural Evolution of Lamellar Alloys: Applications to Pb-Sn Solder / Rifa J. El-Khozondar, Vitcheslav S. Solomatov, Veena Tikare 203

Simulation of Microstructural Evolution During Thermomechanical Cycling in Pb-Sn Solders / Michael Woodmansee, Veena Tikare 209

Modeling the Diffusion-Controlled Growth of Needle and Plate-Shaped Precipitates / Z. Guo, W. Sha 215

Modeling Microstructural Evolution During Sintering in a Complex Powder Compact / Veena Tikare, Michael V. Braginsky 221

Multiplicative Noise in Microstructure Evolution / K.G. Wang, M.E. Glicksman, P. Crawford 227

Atomistic Modeling

Large-Scale Ab Initio Simulations of Fe-Doped SrTiO[subscript 3] Perovskites / R.A. Evarestov, R.I. Eglitis, S. Piskunov, E.A. Kotomin, G. Borstel 237

From Bifurcations to Chua's Periodic Table / Roberto Tonelli, Leon O. Chua, Franco Meloni 243

A DFT-Study of Structure and Properties of Amorphous SiCN / Peter Kroll 249

Base-Catalytic Properties of Solid Silicon Imidonitrides / Peter Kroll, Dirk Mertens 255

Molecular Dynamics Study of Commensurate-Incommensurate Phases in Hexamethylenetetramine Suberate / Yuansheng Pan, David Brown, Gervais Chapuis 261

Materials Structure and Properties

Kinetic Monte Carlo Simulations of Strain-Induced Nanopatterning on Hexagonal Surfaces / M.I. Larsson, B. Lee, R. Sabiryanov, K. Cho, W. Nix, B.M. Clemens 269

Size Effect and Geometrical Effect of Polycrystals and Thin Film/Substrate System in Micro-Indentation Test / Y. Wei, M. Zhao, X. Wang, S. Tang 275

Theoretical and Experimental Investigation of Thermal Stability of HfO[subscript 2]/Si and HfO[subscript 2]/SiO[subscript 2] Interfaces / Chun-Li Liu, Matt Stoker, Rama I. Hegde, Raghaw S. Rai, Philip J. Tobin 281

A Model for Comprehensive Studies of Porosity in Mesoporous Low-k Dielectrics / Mihail P. Petkov 285

Micromagnetics Simulation of Asymmetric Pseudo-Spin Valve Dots / N. Dao, C.A. Ross, F.J. Castano, M.J. Donahue, S.L. Whittenburg 291

Fundamental Property of the Solid Equation of State Inferred from Shock Waves Physics / Francis Chaisse, Olivier Heuze 297

Modeling and Photoabsorption Study of YPd[subscript 2-x]Rh[subscript x]B[subscript 2]C Superconductors / L.-S. Hsu, Y.K. Wang, G.Y. Guo, Y.-J. Huang, M.-D. Lan 301

Modeling of Phonon Dispersion in a Semiconductor Quantum Dot Crystal / Olga L. Lazarenkova, Alexander A. Balandin 307

Model Compound Vulcanization and IGC as Prediction Tools in Carbon Black Effect on Vulcanization / E. Vidal-Escales, M.P. Diago, S. Borros 313.

Notes:

Includes bibliographical references and indexes.

Local Notes:

Acquired for the Penn Libraries with assistance from the Anne and Joseph Trachtman Memorial Book Fund.

ISBN:

1558996672

OCLC:

50280087