Molecular Dynamics Simulation of Two-Phase Structures of Copper Formed by Laser Grooving

Abstract

It is a concerned problem that what influences of cooling rate on evolution of microstructures of the treated and untreated Cu are during solidification process after Cu’s being melted by laser grooving. Based on the embedded-atom method, molecular dynamics simulations have been performed on the cooling processes of liquid metal Cu by using crystal-liquid configuration method at six different cooling rates. Through the two-phase structural features, pair correlation function, average atomic energy and mean square displacement analysis, it is found that the cooling rate plays a critical role on the solidification process to the liquid Cu. The liquid Cu becomes its crystalline state during relatively low cooling rate, while the glass transition of the liquid Cu is performed with the relatively high cooling rate. The solidification process of the liquid Cu has effect on the solid crystal Cu and leads to form the indented interface between two-phase structures.