Molecular dynamics simulation of binary hard sphere crystal/melt interfaces

The structure and thermodynamics of the (100) and (111) disordered face-cen tred cubic (fcc) crystal/melt interfaces for a binary hard sphere system ha ve been examined using molecular dynamics simulation. This study is an exte nsion of previous work (Davidchack, R. L., and Laird, B. B., 1996, Phys. Re v. E, 54, R5905), in which preliminary data for the (100) interface were re ported. Density and diffusion profiles on both fine and coarse grained scal es are calculated and analysed, leading to the conclusion that equilibrium interfacial segregation is minimal in this system.