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Coarse-Grain Multi-Scale Modeling for Numerical Simulation of Plastic Behavior in Nano-Scale Material, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor)
Abstract
In this paper, a multiscale coarse graining method is developed on the basis of the force matching theorem in order to model the nonlinear behavior of crystalline material. In this framework, two scales are involved, i.e. the nano- and meso-scales. In each of scales, molecular dynamic simulations are employed with this difference that the fine scale is modeled via embedded atom method many body potential and at the coarse scale the simulation is based on pairwise potential. In addition, the linkage between fine and coarse scales is achieved by data transfer between two scales; in a way that required information for coarse grain analyses, i.e. inter-particle potential and coarse scale initial...
Cataloging briefCoarse-Grain Multi-Scale Modeling for Numerical Simulation of Plastic Behavior in Nano-Scale Material, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor)
Abstract
In this paper, a multiscale coarse graining method is developed on the basis of the force matching theorem in order to model the nonlinear behavior of crystalline material. In this framework, two scales are involved, i.e. the nano- and meso-scales. In each of scales, molecular dynamic simulations are employed with this difference that the fine scale is modeled via embedded atom method many body potential and at the coarse scale the simulation is based on pairwise potential. In addition, the linkage between fine and coarse scales is achieved by data transfer between two scales; in a way that required information for coarse grain analyses, i.e. inter-particle potential and coarse scale initial...
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