Volume 653, Issue 1

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December 2000

Symposium Z — Multiscale Modeling of Materials-2000

Issue Editors:

J. L. Bassani,
K. Cho,
L. P. Kubin,
R. L. B. Selinger

38 articles in this issue

Monte-Carlo Simulation of Three Dimensional Ion Dynamics in Polymers
A. Wagner
H. Kliem
OriginalPaper 21 March 2011 Article: 10101
Efficient Treatment of Fixed and Induced Dipolar Interactions
Celeste Sagui
Thoma Darden
OriginalPaper 21 March 2011 Article: 7221
Al Grain Boundary Embrittlement Promoted by Na Impurity: An ab initio Study
Guang-Hong Lu
Masanori Kohyama
Rayoichi Yamamoto
OriginalPaper 21 March 2011 Article: 7171
Modeling of the Heterogeneous Deformation of an Aggregate of Grains
Philippe P. Erieau
Thierry P. Hoc
Colette C. Rey
OriginalPaper 21 March 2011 Article: 7111
Effective Determination of Coexistence Curves using Reversible-Scaling Molecular Dynamics Simulations
Maurice de Koning
Alex Antonelli
Sidney Yip
OriginalPaper 21 March 2011 Article: 1091
A Method to Simulate the Interface-Diffusion in Solid-State Bonding-Processes Considering the Elastic Deformation
Takehiko Ito
Shigeki Saito
Tadao Onzawa
OriginalPaper 21 March 2011 Article: 1081
Modeling Stress and Failure in Shrinking Coatings
Herong Lei
Lorraine F. Francis
L. E. Scriven
OriginalPaper 21 March 2011 Article: 1051
Stresses in Thin Coatings from Curvature Measurements on Non-Planar Substrates
A. Wikström
P. Gudmundson
OriginalPaper 21 March 2011 Article: 1041
Calculation of Intrinsic Stresses and Elastic Moduli in Nonhomogeneous Thin Films
Pedro C. Andia
Francesco Costanzo
Thomas J. Yurick
OriginalPaper 21 March 2011 Article: 1031
FACET: a two Dimensional Simulator of Polycrystalline thin film Growth
Jie Zhang
James B. Adams
OriginalPaper 21 March 2011 Article: 1011
Features of Vacancy Interaction with Interstitial Clusters in BCC Metals
Marta Pelfort
Yuri N. Osetsky
Anna Serra
OriginalPaper 21 March 2011 Article: 981
Atomically-based Field Formulations for Coupled Problems of Composition and Mechanics
Krishna Garikipati
Lori C. Bassman
OriginalPaper 21 March 2011 Article: 961
Coupling of Length Scales: Hybrid Molecular Dynamics and Finite Element Approach for Multiscale Nanodevice Simulations
Elefterios Lidorikis
Martina E. Bachlechner
Priya Vashishta
OriginalPaper 21 March 2011 Article: 931
Experimental Assessment of Strain Gradient Plasticity
Monica M. Barney
Geoffrey H. Campbell
John W. Morris Jr.
OriginalPaper 21 March 2011 Article: 861
Intrinsic and Extrinsic Size Effects in Plasticity by Dislocation Glide
J. Gil Sevillano
OriginalPaper 21 March 2011 Article: 851
Cosserat Modeling of Size Effects in Crystalline Solids
Samuel Forest
OriginalPaper 21 March 2011 Article: 821
Transition Regime Fracture Toughness-temperature Properties of two Advanced Ferriticmartensitic Steels
Philippe Spätig
Eric Donahue
Max Victoria
OriginalPaper 21 March 2011 Article: 781
Self-Affinity Analysis of the Fracture Surfaces of Polypropylene and Opal Glass.
M. Hinojosa
E. Reyes
U. Ortiz
OriginalPaper 21 March 2011 Article: 771
A Theory for Multi Damage Evaluation of TiN Thin Film
Kazunori Misawa
Tomonaga Okabe
Nobuo Takeda
OriginalPaper 21 March 2011 Article: 710
Parallel Tight-Binding Simulations of Nanophase Ceramics: Atomic and Electronic Transport at Grain Boundaries
Kenji Tsuruta
Hiroo Totsuji
Chieko Totsuji
OriginalPaper 21 March 2011 Article: 671
Hybrid Electronic-density-functional/molecular-dynamics Simulation on Parallel Computers: Oxidation of Si Surface
Shuji Ogata
Fuyuki Shimojo
Rajiv K. Kalia
OriginalPaper 21 March 2011 Article: 651
Lattice Trapping of Cracks in Fe Using an Interatomic Potential Derived from Experimental Data and Ab Initio Calculations
D. Farkas
M. J. Mehl
D. A. Papaconstantopoulos
OriginalPaper 21 March 2011 Article: 641
Bond-Order Potentials with Analytic Environment-Dependent Tight-Binding Integrals: Application to BCC Molybdenum
Matous Mrovec
Duc Nguyen-Manh
Vaclav Vitek
OriginalPaper 21 March 2011 Article: 631
Dynamics and Patterning of Screw Dislocations in Two Dimensions
Robin L. B. Selinger
Brian B. Smith
Wei-Dong Luo
OriginalPaper 21 March 2011 Article: 541
Unstable Motion of an Edge Dislocation in a Solute Atom Atmosphere Studied by Kinetic Monte Carlo Simulations
X. M. Gu
Y. Q. Sun
OriginalPaper 21 March 2011 Article: 471
Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr
C. Domain
A. Legris
OriginalPaper 21 March 2011 Article: 381
Interactions between Edge Dislocations and Interstitial Clusters in Iron and Copper
Yu. N. Osetsky
D. J. Bacon
B. N. Singh
OriginalPaper 21 March 2011 Article: 341
Crack Behaviour at Bi-Crystal Interfaces: A Mixed Atomistic and Continuum Approach
Arun R. Pillai
Ronald E. Miller
OriginalPaper 21 March 2011 Article: 291
Multiscale Simulations of Brittle Fracture and the Quantum-Mechanical Nature of Bonding in Silicon
N. Bernstein
D. Hess
OriginalPaper 21 March 2011 Article: 271
Mechanics Of Crack Bridging Under Dynamic Loads
N. Sridhar
B. N. Cox
I. J. Beyerlein
OriginalPaper 21 March 2011 Article: 251
A Discrete Dislocation Approach to Crack Propagation
E. D. Metselaar
J. Th. M. de Hosson
E. Van der Giessen
OriginalPaper 21 March 2011 Article: 241
New Line Model for Optimized Dislocation Dynamics Simulations
Ronan Madec
Benoit Devincre
Ladislas P. Kubin
OriginalPaper 21 March 2011 Article: 181
Dislocation Exhaustion During Plastic Deformation
Olivier Couteau
Corinne Charbonnier
Jean-Luc Martin
OriginalPaper 21 March 2011 Article: 171
Multiscale Modeling of Dislocation Processes in Bcc Tantalum: Bridging Atomistic and Mesoscale Simulations
L. H. Yang
Meijie Tang
John A. Moriarty
OriginalPaper 21 March 2011 Article: 121
Micromechanical Modeling of Two-Phase Steels
Mikael Nygårds
Dilip Chandrasekaran
Peter Gudmundson
OriginalPaper 21 March 2011 Article: 88
Dislocation Multiplication in Germanium Single Crystals
Corinne Charbonnier
Tomas Kruml
Jean-Luc Martin
OriginalPaper 21 March 2011 Article: 57
Coarse Slip Bands in a Single-Crystalline Aluminum Alloy
Seung-Yong Yang
Xianghong Li
Wei Tong
OriginalPaper 21 March 2011 Article: 49
Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions
Vasily V. Bulatov
Moon Rhee
Wei Cai
OriginalPaper 21 March 2011 Article: 13

Volume 653, Issue 1

Monte-Carlo Simulation of Three Dimensional Ion Dynamics in Polymers

Efficient Treatment of Fixed and Induced Dipolar Interactions

Al Grain Boundary Embrittlement Promoted by Na Impurity: An ab initio Study

Modeling of the Heterogeneous Deformation of an Aggregate of Grains

Effective Determination of Coexistence Curves using Reversible-Scaling Molecular Dynamics Simulations

A Method to Simulate the Interface-Diffusion in Solid-State Bonding-Processes Considering the Elastic Deformation

Modeling Stress and Failure in Shrinking Coatings

Stresses in Thin Coatings from Curvature Measurements on Non-Planar Substrates

Calculation of Intrinsic Stresses and Elastic Moduli in Nonhomogeneous Thin Films

FACET: a two Dimensional Simulator of Polycrystalline thin film Growth

Features of Vacancy Interaction with Interstitial Clusters in BCC Metals

Atomically-based Field Formulations for Coupled Problems of Composition and Mechanics

Coupling of Length Scales: Hybrid Molecular Dynamics and Finite Element Approach for Multiscale Nanodevice Simulations

Experimental Assessment of Strain Gradient Plasticity

Intrinsic and Extrinsic Size Effects in Plasticity by Dislocation Glide

Cosserat Modeling of Size Effects in Crystalline Solids

Transition Regime Fracture Toughness-temperature Properties of two Advanced Ferriticmartensitic Steels

Self-Affinity Analysis of the Fracture Surfaces of Polypropylene and Opal Glass.

A Theory for Multi Damage Evaluation of TiN Thin Film

Parallel Tight-Binding Simulations of Nanophase Ceramics: Atomic and Electronic Transport at Grain Boundaries

Hybrid Electronic-density-functional/molecular-dynamics Simulation on Parallel Computers: Oxidation of Si Surface

Lattice Trapping of Cracks in Fe Using an Interatomic Potential Derived from Experimental Data and Ab Initio Calculations

Bond-Order Potentials with Analytic Environment-Dependent Tight-Binding Integrals: Application to BCC Molybdenum

Dynamics and Patterning of Screw Dislocations in Two Dimensions

Unstable Motion of an Edge Dislocation in a Solute Atom Atmosphere Studied by Kinetic Monte Carlo Simulations

Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr

Interactions between Edge Dislocations and Interstitial Clusters in Iron and Copper

Crack Behaviour at Bi-Crystal Interfaces: A Mixed Atomistic and Continuum Approach

Multiscale Simulations of Brittle Fracture and the Quantum-Mechanical Nature of Bonding in Silicon

Mechanics Of Crack Bridging Under Dynamic Loads

A Discrete Dislocation Approach to Crack Propagation

New Line Model for Optimized Dislocation Dynamics Simulations

Dislocation Exhaustion During Plastic Deformation

Multiscale Modeling of Dislocation Processes in Bcc Tantalum: Bridging Atomistic and Mesoscale Simulations

Micromechanical Modeling of Two-Phase Steels

Dislocation Multiplication in Germanium Single Crystals

Coarse Slip Bands in a Single-Crystalline Aluminum Alloy

Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions

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