EPJ Web of Conferences 15, 01013 (2011)
https://doi.org/10.1051/epjconf/20111501013

Diffusion coefficient of copper, tin and copper tin alloy

¹ Centre de recherche public Henri Tudor, Technoport, Avenue John F. Kennedy, 29, Esch-Sur-Alzette, Luxembourg.
(Email mouas@univ-metz.fr ).
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.

Abstract

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 Sn_95,6%Cu_4,4% .