Bibhakar Banik Ripon

Structure of Liquid Cu-ni Alloy Using Molecular Dynamic Simulation Bibhakar Banik Ripon

A method for calculating potential suggested earlier for the transition metals and transition metal alloys by Bretonnet and Silbert has been used to calculate the potentials of Cu-Ni alloy system at very high temperature in the liquid state. Molecular dynamics simulation was used to generate the pair correlation function using the above potentials at different relative concentrations of Cu and Ni. We have determined the pair correlation function at those concentrations. Almost all the results are in well agreement with the available experimental data and we have found that the potentials along with Molecular Dynamics produces good result. We have also computed the coordination numbers for the above system.