Molecular dynamics simulation of binary hard-sphere crystal/melt interfaces

Details Molecular dynamics simulation of binary hard-sphere crystal/melt interfaces Molecular dynamics simulation of binary hard-sphere crystal/melt interfaces

1999-03-10

arxiv.org/abs/cond-mat/9903156v1

Physics

Condensed Matter

Statistical Mechanics

7 pages, 7 figures, to appear in Molecular Physics

Scientific paper

10.1080/002689799163244

We examine, using molecular dynamics simulation, the structure and thermodynamics of the (100) and (111) disordered face-centered cubic (FCC) crystal/melt interfaces for a binary hard-sphere system. This study is an extension of our previous work, [Phys. Rev. E 54, R5905 (1996)], in which preliminary data for the (100) interface were reported. Density and diffusion profiles on both fine- and course-grained scales are calculated and analyzed leading to the conclusion that equilibrium interfacial segregation is minimal in this system.

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