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Introduction 1.4

Introduction 1.4 - Multiscale modeling of dislocations in...

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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Multiscale modeling of dislocations in semiconductors by V. Bulatov, LLNL
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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Plan of the course ¾ Numerical integration of differential equations (ODE for particle dynamics). – hands on ¾ Atomistic methods - Molecular dynamics, kinetic and Metropolis Monte Carlo. Computer codes will be provided. The knowledge from this part of the course should be sufficient to design and perform your own simulations. – hands on ¾ Advanced techniques in atomistic simulation that may be useful in your research projects. Control of temperature and pressure. Methods for analysis of simulation results, diffusion, spatial and time correlation functions Review of interatomic potentials. ¾ Mesoscopic techniques (Dislocation Dynamics, Kinetic MC, Potts model, Cellular automata etc.) – overview/examples ¾ Multiscale approaches (hierarchical and combined). Coupling of continuum and atomistic models. – brief overview
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Introduction 1.4 - Multiscale modeling of dislocations in...

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