A Combined Molecular Dynamics-Coarse Graining Technique for Modeling the Mechanical Behavior of Crystalline Nano-Structures, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Co-Supervisor)
Abstract
In the area of material studies, the atom structure models are the basis of all simulations and methods. With improvements in computers power, these models have become more consistent with experimental results. New theoretical methods combined with supercomputers assist to an understanding with detail and accuracy of material behavior at the atomic scale that leads to develop of the Computational Materials Science. Recently, developments in fields such as quantum mechanics, statistical physics, solid-state physics, quantum chemistry, computer science and graphics, allowed for faster computing which leads a powerful tool for material calculations and designs. New computer applications allow...
Cataloging briefA Combined Molecular Dynamics-Coarse Graining Technique for Modeling the Mechanical Behavior of Crystalline Nano-Structures, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Co-Supervisor)
Abstract
In the area of material studies, the atom structure models are the basis of all simulations and methods. With improvements in computers power, these models have become more consistent with experimental results. New theoretical methods combined with supercomputers assist to an understanding with detail and accuracy of material behavior at the atomic scale that leads to develop of the Computational Materials Science. Recently, developments in fields such as quantum mechanics, statistical physics, solid-state physics, quantum chemistry, computer science and graphics, allowed for faster computing which leads a powerful tool for material calculations and designs. New computer applications allow...
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