Molecular Dynamics Study for Plastic Deformation and Elastic Properties of Amorphous Solids

Abstract

In present study, mechanical behaviors of single phase amorphous solid and nano-crystal dispersed amorphous solid were simulated by using molecular dynamics (MD) method. Plastic deformation of single phase amorphous solid was analyzed by statistical mechanics, solid mechanics and fluid dynamics from MD time series data. The simulated amorphous solids are a-Ar and a-Ar-Xe. Tensile and shearing plastic deformation were simulated for the former. Tensile deformation and hydrostatic compression, in elastic region, were done for the latter and the nano-crystal Xe dispersed binary amorphous Ar-Xe solid. The plastic deformation shows vicouse character. The nano-crystal modifies the elastic properties of a-Ar-Xe solid drastically.