Diffusion coefficient of copper, tin and copper tin alloy

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...

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Bibliographic Details
Published in:EPJ Web of conferences 2011-01, Vol.15, p.1013
Main Authors: Mouas, M., Gasser, J.-G., Hellal, S., Grosdidier, B., Makradi, A., Belouettar, S.
Format: Article
Language:English
Subjects:
Physics
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Summary: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% .
ISSN:2100-014X
2100-014X
DOI:10.1051/epjconf/20111501013