Dynamical properties of Ag-Cu binary alloy from molecular dynamics simulation

G. A. Adebayo () and B. C. Anusionwu

The European Physical Journal B: Condensed Matter and Complex Systems, 2006, vol. 54, issue 4, 423-427

Abstract: Molecular dynamics simulations (MD) of dynamical properties of molten binary Ag-Cu alloy is presented at various temperature above the eutetic temperature. Atoms in the system have been modelled through an interatomic Lennard-Jones potential interaction. The structure, through the effective pair distribution function allows to determine the Enksog collision frequency as well as the coordination of atoms in the first shell. The surface traction, which is the force per unit area between the species shows a long separation oscillation about the value zero, while the collision frequency of pairs of atoms increase with increasing temperature. The adhesion energy between components found to be 3.4178 J/m 2 . In agreement with theory, we found a decrease in surface tension of Ag-Cu alloy as temperature increases. Separation of atoms pairs in the first shell might be responsible for a non linear relationship found between temperature and coordination number in present calculations. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Keywords: 61.20.-p Structure of liquids; 61.20.Ja Computer simulation of liquid structure (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1140/epjb/e2007-00016-8

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