Surface Tension of Ni-Cu Alloys: A Molecular Simulation Approach

The MoInte Carlo (MC) method and the embedded-atom method (EAM) are used to calculate the surface tension and the temperature dependence of the sur- face tension of nickel-copper alloys. The simulation of the surface tension is per- formed through the calculation of the cohesive work of the alloy. The calculated surface tensions of the alloys are 30 to 400 larger than experimental values, while the changes in surface tension as a function of Cu composition show similar behavior in both calculated and experimental results. The simulation results for the temperature dependence of the surface tension in the undercooled region appear to be identical with that above the melting point, and for the Ni-Cu alloys, the temperature coefficients decrease with an increase of copper concentration.