This article has an erratum: [https://doi.org/10.1051/epjconf/20111501029]
EPJ Web of Conferences
Volume 15, 2011LAM14 - XIV Liquid and Amorphous Metals Conference
|Number of page(s)||4|
|Section||Liquid metals and alloys|
|Published online||18 May 2011|
Diffusion coefficient of copper, tin and copper tin alloy
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2 Laboratoire de Physique des Milieux Denses (L.P.M.D.) Institut de Chimie, Physique et Matériaux, Université Paul Verlaine – Metz. 1, Bd D. F. Arago 57078 Metz Cedex 3, France.
3 Laboratoire de Physique et Chimie Quantique (L.P.C.Q.), Département de Physique, Faculté des Sciences, Université de Tizi-Ouzou, Campus de Hasnaoua, 15000 Tizi-Ouzou, Algeria.
Pseudopotential formalism is used to construct an ionic effective potential (ion-ion potential screened by electrons). Molecular Dynamics is used in conjunction with the constructed effective potential to get the atomic structure factor of the pure components copper and tin which are compared to the experimental ones.
We selected the Shaw Optimized Model Potential having proved that it adequately describes the atomic structure, we used it to calculate the velocity autocorrelation function and to deduce the self diffusion of pure metals: copper, tin and the diffusion coefficient of copper in the Sn95,6%Cu4,4% .
© Owned by the authors, published by EDP Sciences, 2011
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