Molecular dynamics investigation of the crystal–fluid interface. III. Dynamical properties of fcc crystal–vapor systems

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Abstract
Dynamical properties of the (111), (100), and (110) faces of a face centered cubic crystal–vapor system have been obtained at a series of temperatures along the crystal–vapor coexistence line by molecular dynamics techniques. The particles interact by means of a Lennard‐Jones potential. We find that all three faces exhibit a signficant degree of surface disorder and atomic mobility near the bulk melting point. Although the diffusion coefficients in the surface layers vary markedly, the total surface mass transport is approximately equal for the three faces.