Simulations of Metal Cu in Heating Process

Based on the Finnis‐Sinsclair (FS) many‐body potential model, the melting process of a system, which consists of 500 Cu atoms, controlled by period boundary condition has been simulated. The means of pair correlation function, mean square displacement and Honeycutt‐Anderson bonded pair have been used to characterize the melting behavior of Cu at different heating rates. The simulation indicates that melting point of metal Cu is 1444 K during a continuous heating process, and the calculated diffusion constant at the melting point is 4.31×10−‐9/s. These results are better than those from the EAM method, showing that the FS potential model works well in some disordered systems.