Investigation on Coupling of Molecular Dynamics Method and Temperature Related Cauchy Born Methods, M.Sc. Thesis Sharif University of Technology ; Kazemi, Mohammad Taghi (Supervisor)
Abstract
Computational Nano Mechanics growth has led researchers towards the development of new multi-scale models. Accordingly, in this dissertation, a step was taken towards introduction, presentation and creation of a new concurrent multi-scale by studying the feasibility of coupling of molecular dynamics methods and temperature related Cauchy-born.To do so, firstly, the above mentioned methods have been studied and then in order to perform molecular dynamics simulations, a program written in C++ language has been used. The accuracy of the written code has been confirmed through studying intuitive phenomenon of gas perfect particle exit from cylinder with an open end. The interpretation of out put...
Cataloging briefInvestigation on Coupling of Molecular Dynamics Method and Temperature Related Cauchy Born Methods, M.Sc. Thesis Sharif University of Technology ; Kazemi, Mohammad Taghi (Supervisor)
Abstract
Computational Nano Mechanics growth has led researchers towards the development of new multi-scale models. Accordingly, in this dissertation, a step was taken towards introduction, presentation and creation of a new concurrent multi-scale by studying the feasibility of coupling of molecular dynamics methods and temperature related Cauchy-born.To do so, firstly, the above mentioned methods have been studied and then in order to perform molecular dynamics simulations, a program written in C++ language has been used. The accuracy of the written code has been confirmed through studying intuitive phenomenon of gas perfect particle exit from cylinder with an open end. The interpretation of out put...
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