Premelting on the low-index faces of palladium

Premelting on the (100), (110) and (111) faces of Pd is investigated by the Molecular Dynamics technique using the semi-empirical potential based on the embedded atom method. Mean-square vibrational amplitudes and the structure factors of the atoms in a plane are used to study the onset of anharmonicity in the three faces as a function of temperature. The premelting temperature is determined by calculating the layer density. The observed order in the surface stability follows the order in the packing density. (110) premelts first at 1300K, followed by (100) and (111) which premelt respectively at 1500K and 1600K. The bulk melting temperature of Pd is found to be (1825+/-25)K. Copyright (C) 1996 Elsevier Science Ltd