Multiscale Investigation of Plastic Behavior in Crystalline Metals, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Co-Advisor)
Abstract
In this study, a modern multiscale sequential molecular dynamics (MD) – finite element (FE) coupling method is proposed to represent the role of grain boundary (GB) planar defect on mechanical properties of crystalline structures at various temperatures. Different Grain Boundary misorientation angle is considered and the temperature varies from 0 up to 800 K. The embedded-atom method (EAM) many-body interatomic potential is implemented to consider pairwise interactions between atoms in the crystalline structures with face-centered-cubic (FCC) lattice structure at different temperatures. In addition, the Nose-Hoover thermostat is employed to adjust the fluctuation of temperature. The atomic...
Cataloging briefMultiscale Investigation of Plastic Behavior in Crystalline Metals, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Co-Advisor)
Abstract
In this study, a modern multiscale sequential molecular dynamics (MD) – finite element (FE) coupling method is proposed to represent the role of grain boundary (GB) planar defect on mechanical properties of crystalline structures at various temperatures. Different Grain Boundary misorientation angle is considered and the temperature varies from 0 up to 800 K. The embedded-atom method (EAM) many-body interatomic potential is implemented to consider pairwise interactions between atoms in the crystalline structures with face-centered-cubic (FCC) lattice structure at different temperatures. In addition, the Nose-Hoover thermostat is employed to adjust the fluctuation of temperature. The atomic...
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