## Multiscale Modeling of Materials - 2000:Ladislas P. Kubin, Robin L. B. Selinger, John L. Bassani, Kyeongjae Cho Multiscale modeling of materials has emerged as a powerful tool with application to metals, semiconductors, polymers and biochemical systems. Together with rapid advances in computing power, these new methods represent an important step toward the goal of linking atomic-scale processes - modeled with interatomic potentials, tight-binding and ab initio methods - to simulations of macroscopic phenomena. This volume brings together scientists and engineers from various disciplines to discuss state-of-the-art methodologies for linking disparate length and time scales, and for understanding and predicting the behavior of complex materials systems. The book is organized around several major themes representing current challenges in multiscale simulation and modeling. Topics include: length-scale and time-scale problems; applications to microstructure evolution; plastic deformation and fracture; multiscale modeling schemes; length scales and size effects. |

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### Contents

Periodic Boundary Conditions for Dislocation Dynamics | 9 |

Dislocation Exhaustion During Plastic Deformation Z1 | 3 |

New Line Model for Optimized Dislocation Dynamics Simulations Z1 | 3 |

Copyright | |

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### Common terms and phrases

2001 Materials Research atomistic atomistic simulation atoms B.N.Singh behavior bond Burgers vector calculations cell coating computational configuration constant continuum Cosserat crack propagation crack tip crystal plasticity curvature DD simulations deformation diffusion dipoles direction dislocation density displacement dynamic edge dislocation effects elastic electronic energy release rate equation experimental Figure finite element function Gibbs free energy grain boundary hardening increase initial interface ions ISBN isotropic kink lattice layer length loading Materials Research Society matrix mechanical metals method microstructure molecular dynamics multiscale nucleation obtained parameters particles pearlite phonon Phys plane potential predicted present Proc properties region relaxation sample scale screw dislocation segments self-affine shear stress shown in Fig SIA clusters single crystal slip system solute atoms specimens stacking fault energy strain gradient strain rate stress-relaxation stress-strain curve structure substrate Symp temperature tensor theory vacancy volume yield point