| We have developed a code that implements the embedded atom potentials in conjunction with a Metropolis MC algorithm to investigate some of the thermodynamic properties of the bulk Cu-Ni binary alloy. Calculations were carried out in the semi-grand canonical ensemble---fixed temperature, pressure, number of atoms, and a fixed chemical bias. The results include a plot of equilibrium concentration versus chemical bias, Deltamicro, as well as a plot of a histogram of the probability of finding a specific concentration state. From the latter, we calculated the entropy of mixing, Ω, at 50% copper to be 32.6 x10-3 eV/atom which agrees well with a published value of 30 x10-3 eV/atom. |
