Abstract
Molecular Dynamics calculations of atomic displacements were performed to study size effects in binary metallic alloys. The copper-gold alloy was chosen as the system of interest due to a large size mismatch and the existence of well developed embedded-atom potentials. Static displacements are shown to depend significantly on temperature while thermal displacement are shown to be equal for both components of alloy, which was an unjustified assumption made by X-ray diffraction experimentalists
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Puzyrev, Y., Faulkner, J.S. (2003). Calculation of Static and Thermal Displacements in Metallic Alloys. In: Landau, D.P., Lewis, S.P., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics XV. Springer Proceedings in Physics, vol 90. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-55522-0_17
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DOI: https://doi.org/10.1007/978-3-642-55522-0_17
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