Molecular-dynamic simulation of nanocrystal structure evolution under dynamic loading

Abstract

Abstract. The paper presents results of molecular-dynamic simulation and investigation of the process of the uniaxial dynamic compression of copper nano-crystals. The micro-structural mechanisms of irreversible lattice transformations are analyzed, and the presence of the critical load is shown; at this load, the energy absorption mechanism changes. It has been found that the structure takes place in the elastic wave; along with it, the rotary strain member occurs. The effect of a nanocrystal size on the peculiarities of the microstructural mechanisms of the dynamic compression process has been studied.