Volume 978, Issue 1

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December 2006

Symposium GG — Multiscale Modeling of Materials

Issue Editors:

R. Devanathan,
M. J. Caturla,
A. Kubota,
A. Chartier,
S. Phillpot

31 articles in this issue

Molecular Dynamics Simulation of Nanoparticle Chain Aggregate Sintering
Takumi Hawa
R. Zachariah Michael
OriginalPaper 01 May 2007 Article: 1604
Multiscale Modeling of Growth and Structure of Silicon Nanoparticles in an Oxide Matrix
Decai Yu
Sangheon Lee
S. Hwang Gyeong
OriginalPaper 01 May 2007 Article: 1602
Multiscale Modeling of Frictional Behavior of Highly-Ordered Carbon Nanotube/Ceramic Nanocomposites
H. Z. Xia
W. A. Curtin
P. Guduru
OriginalPaper 01 May 2007 Article: 1504
Simulations of Multi-atom Vacancies in Diamond
Istvan Laszlo
Miklos Kertesz
Yury Gogotsi
OriginalPaper 01 May 2007 Article: 1315
Growth study of nanocrystalline Ni and Ni₃Al using molecular dynamics
Y. Zhang Z.
K. Meng X.
X.-Y. Liu
OriginalPaper 01 May 2007 Article: 1309
A Procedure of Determining Parameters to Expand Applicability of Modified Embedded Atom Method to Non-bulk Systems
Kento Tokumaru
Kunio Takahashi
Yingchen Yin
OriginalPaper 01 May 2007 Article: 1306
Cooling Mechanism and Structural Change of Local Regions With a Different Cooling Rate of Excimer Laser Annealed Si
Byoung-Min Lee
Seok Seong Baek
Teruaki Motooka
OriginalPaper 01 May 2007 Article: 1301
Hierarchical nanomechanics of vimentin alpha helical coiled-coil proteins
Theodor Ackbarow
J. Buehler Markus
OriginalPaper 01 May 2007 Article: 1005
Systematic Coarse-graining and Multiscale Modeling of Soft Matter
Greg Voth
OriginalPaper 01 May 2007 Article: 1001
Influence of Mineral -Polymer Interactions on Molecular Mechanics of Polymer in Composite Bone Biomaterials
Rahul Bhowmik
S. Katti Kalpana
R. Katti Dinesh
OriginalPaper 01 May 2007 Article: 905
Brittle-Ductile Transition in Heterogeneous Metallic Materials
J. A. Noronha
M. Ghoniem N.
OriginalPaper 01 May 2007 Article: 904
Inelastic Behavior and Grain-Boundary Effects in Polycrystalline Materials
Jibin Shi
Mohammed Zikry
Moustafa Hatem Tarek
OriginalPaper 01 May 2007 Article: 807
Exploring simulation methods for self-healing oxide films
Ivan Lazic
Barend Thijsse
OriginalPaper 01 May 2007 Article: 805
Three-Dimensional Boundary Element – Dislocation Dynamics Modeling of Plastic Flow in Small Volumes
A. El-Awady Jaafar
Akiyuki Takahashi
M. Ghoniem Nasr
OriginalPaper 01 May 2007 Article: 803
Modeling of Atomistic Processes in Semiconductors: from Defect Signatures to a Hierarchy of Annealing Mechanisms
Michel Bockstedte
OriginalPaper 01 May 2007 Article: 801
A method for analyzing nanomechanical deformation of nanocrystalline Ni at higher timesteps than is possible in classical molecular dynamics
Vikas Tomar
OriginalPaper 01 May 2007 Article: 603
Interface Conditions for Coupled Atomistic and Continuum Models of Solids for Dynamics Problems at Finite Temperature
Xiantao Li
E. Weinan
OriginalPaper 01 May 2007 Article: 602
Modeling the Effect of Oxidation and Etching of Silicon Photonic Crystals
Makhin Thitsa
Haider Ali
Sacharia Albin
OriginalPaper 01 May 2007 Article: 526
Effect of Surface Roughness on Remelting and Stresses During Splat Solidification
G. Ye
R. Khare
S. N. Basu
OriginalPaper 01 May 2007 Article: 522
Interplay of Shock-induced Melting and Alloying in Nanostructured Multilayer Films
Shijin Zhao
C. Germann Timothy
Alejandro Strachan
OriginalPaper 01 May 2007 Article: 520
Void Evolution via Coupled Creep, Diffusion and Electromigration in Confined Nano-interconnects
Dongchoul Kim
Wei Lu
OriginalPaper 01 May 2007 Article: 513
Simulation of Dislocation Relaxation in FCC Metals
Yoshiaki Kogure
Kei Sakieda
Tadatoshi Nozaki
OriginalPaper 01 May 2007 Article: 509
Computer Simulation of Fracture in Aerogels
Brian Good
OriginalPaper 01 May 2007 Article: 503
Ab Initio and Rate Theory Modeling of Radiation-Induced Segregation on 316SS Oversized Solute Alloys
Hackett Gary Was Micah
Reza Najafabadi
OriginalPaper 01 May 2007 Article: 206
Simulation of Directed Nanocrack Patterns for the Fabrication of Nanowires
David Salac
Wei Lu Dr.
OriginalPaper 01 May 2007 Article: 205
Multiscale modelling of bcc-Fe based alloys for nuclear applications
L. Malerba
A. Al Mazouzi
D. A. Terentyev
OriginalPaper 01 May 2007 Article: 205
Role of trapping impurities on He desorption and clustering in irradiated α-Fe
J. Ortiz C.
J. Caturla M.
F. Willaime
OriginalPaper 01 May 2007 Article: 204
Threshold crack speed in dynamic fracture of silicon
J. Buehler Markus
Harvey Tang
A. Goddard William
OriginalPaper 01 May 2007 Article: 203
Multipolar Expansion Methods for Coarse Grained Force Fields
D. Chao Sheng
OriginalPaper 01 May 2007 Article: 104
Using Elasticity to Correct for Boundary Effects in Calculations of Stress-Diffusion Coupling Parameters
Brian Puchala
Michael Falk
Krishna Garikipati
OriginalPaper 01 May 2007 Article: 103
Uniform Accuracy of the Quasicontinuum Method
Zhijian Yang Jerry
OriginalPaper 01 May 2007 Article: 102

Volume 978, Issue 1

Molecular Dynamics Simulation of Nanoparticle Chain Aggregate Sintering

Multiscale Modeling of Growth and Structure of Silicon Nanoparticles in an Oxide Matrix

Multiscale Modeling of Frictional Behavior of Highly-Ordered Carbon Nanotube/Ceramic Nanocomposites

Simulations of Multi-atom Vacancies in Diamond

Growth study of nanocrystalline Ni and Ni₃Al using molecular dynamics

A Procedure of Determining Parameters to Expand Applicability of Modified Embedded Atom Method to Non-bulk Systems

Cooling Mechanism and Structural Change of Local Regions With a Different Cooling Rate of Excimer Laser Annealed Si

Hierarchical nanomechanics of vimentin alpha helical coiled-coil proteins

Systematic Coarse-graining and Multiscale Modeling of Soft Matter

Influence of Mineral -Polymer Interactions on Molecular Mechanics of Polymer in Composite Bone Biomaterials

Brittle-Ductile Transition in Heterogeneous Metallic Materials

Inelastic Behavior and Grain-Boundary Effects in Polycrystalline Materials

Exploring simulation methods for self-healing oxide films

Three-Dimensional Boundary Element – Dislocation Dynamics Modeling of Plastic Flow in Small Volumes

Modeling of Atomistic Processes in Semiconductors: from Defect Signatures to a Hierarchy of Annealing Mechanisms

A method for analyzing nanomechanical deformation of nanocrystalline Ni at higher timesteps than is possible in classical molecular dynamics

Interface Conditions for Coupled Atomistic and Continuum Models of Solids for Dynamics Problems at Finite Temperature

Modeling the Effect of Oxidation and Etching of Silicon Photonic Crystals

Effect of Surface Roughness on Remelting and Stresses During Splat Solidification

Interplay of Shock-induced Melting and Alloying in Nanostructured Multilayer Films

Void Evolution via Coupled Creep, Diffusion and Electromigration in Confined Nano-interconnects

Simulation of Dislocation Relaxation in FCC Metals

Computer Simulation of Fracture in Aerogels

Ab Initio and Rate Theory Modeling of Radiation-Induced Segregation on 316SS Oversized Solute Alloys

Simulation of Directed Nanocrack Patterns for the Fabrication of Nanowires

Multiscale modelling of bcc-Fe based alloys for nuclear applications

Role of trapping impurities on He desorption and clustering in irradiated α-Fe

Threshold crack speed in dynamic fracture of silicon

Multipolar Expansion Methods for Coarse Grained Force Fields

Using Elasticity to Correct for Boundary Effects in Calculations of Stress-Diffusion Coupling Parameters

Uniform Accuracy of the Quasicontinuum Method

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