Monte Carlo simulation of surface segregation in Pt-Rh alloys with an analytic EAM model

The (111) and (100) surface segregations of Pt-Rh binary alloys are studied by Monte Carlo simulation technology with a modified analytical EAM potential. The simulation results show that the two top-surfaces are enriched with Pt atoms, the sub-surfaces enriched with Rh, so appears an oscillation-like distribution concentration. The detailed oscillatory behaviors of the composition depth profiles of the (111) and (100) surfaces are quite different. The amount of segregation of Pt in the (111) surface is significantly less than that in the (100) surface. The oscillation distribution occurs in more than ten surface layers for (100), while only three surface layers for (111). The simulation results are in good agreement with other theoretical and experimental results.