Molecular dynamic simulation of solid-liquid phase transitions in nano structured transition metals

In this work, we have performed solid-liquid and liquid-solid phase transitions of transition metals Cu, Ni and Au with bulk and nanostructured, using MD simulation method which was set on EAM (Embedded Atom Method). The simulation have been performed by starting with the systems that consist 256?N?8788 atoms in a fcc structure cubic cell on which applied periodic boundry conditions along all the three directions. Nevertheless we have studied with nanocluster metals which don?t have periodic boundary conditions in three directions. We used RAJ potential energy function for Au and Cu, VC potential energy function for Ni, Mishin potential energy function for Cu again. Motion equitions were numerically integrated by using Predictor-Corrector(gear-5) algorithym. Phase transitions of systems in different temperatures were analyzed. The computed data was compared with the existent literature.Keywords: Nano structure, phase traslations, (EAM) Embedded Atom Method, Molecular Dynamic Simulation.