Multi-scale calculation based on dual domain material point method combined with molecular dynamics

Abstract

Multi-scale calculation based on dual domain material point method combined with molecular dynamics by Tilak R. Dhakal This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting I would like to thank Physics and