A molecular dynamics simulation of (110) surface premelting in Ni

H Song and SJ Fensin and M Asta and JJ Hoyt, SCRIPTA MATERIALIA, 63, 128-131 (2010).

DOI: 10.1016/j.scriptamat.2010.03.032

Molecular dynamics simulations were used to examine the premelting behavior of the (1 1 0) surface for an embedded atom method model of pure nickel. The distributions of liquid layer widths were obtained at five temperatures ranging from 2 to 30 K below the melting point. The results were used to construct the structural contribution to the disjoining potential, which describes the short-ranged contribution to the thermodynamic driving force for surface premelting. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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