Hyperelastic Modeling of Atomistic Continuum in the Presence of Inhomogeneity, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Supervisor)
Abstract
In this study, a pioneer multiscale hierarchical molecular dynamics (MD) – finite element (FE) coupling method is proposed to illustrate the influence of large deformation on mechanical properties of heterogeneous nano-crystalline structures. The embedded-atom method (EAM) of many-body interatomic potential is applied to evaluate pairwise interactions between atoms in the metallic alloys with face-centered-cubic (FCC) lattice structure at room temperature. In addition, the Nose-Hoover thermostat is used to control the instability of temperature. A weight average between the lattice parameters of atomic structures is utilized in order to calculate the equivalent lattice parameter. The...
Cataloging briefHyperelastic Modeling of Atomistic Continuum in the Presence of Inhomogeneity, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Supervisor)
Abstract
In this study, a pioneer multiscale hierarchical molecular dynamics (MD) – finite element (FE) coupling method is proposed to illustrate the influence of large deformation on mechanical properties of heterogeneous nano-crystalline structures. The embedded-atom method (EAM) of many-body interatomic potential is applied to evaluate pairwise interactions between atoms in the metallic alloys with face-centered-cubic (FCC) lattice structure at room temperature. In addition, the Nose-Hoover thermostat is used to control the instability of temperature. A weight average between the lattice parameters of atomic structures is utilized in order to calculate the equivalent lattice parameter. The...
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