Atomistic simulation of the segregation profiles in Mo–Re random alloys

Simple modified analytic embedded atom method (MAEAM) many-body potentials are constructed for bcc molybdenum and hcp rhenium metal in the present paper. Using the MAEAM and analytic alloy potentials, the segregation profiles for (1 0 0) surface in Mo–Re bcc-type random alloys were studied with Monte Carlo simulation technology. The simulation results show that the topmost surface is almost completely enriched with molybdenum, the subsurface is depleted of molybdenum, and the molybdenum concentration oscillates toward the bulk value. The simulation results are in good agreement with available low-energy electron diffraction and low-energy ion scattering experiment data, and the calculations from tight-binding Ising model.