Temperature dependent atomic transport properties of liquid Sn

Amit B. Patel (), Nisarg K. Bhatt, Brijmohan Y. Thakore, Pulastya R. Vyas and Ashwinkumar R. Jani

The European Physical Journal B: Condensed Matter and Complex Systems, 2014, vol. 87, issue 2, 1-9

Abstract: A simple analytical model for atomic motion of Tankeshwar et al. [J. Phys.: Condens. Matter 3, 3173 (1991)] is used to obtain velocity autocorrelation function (VACF) with the inter-atomic potential and the pair correlation function as required inputs for liquid Sn. For the electron-ion interaction the modified empty-core potential is used, which represents the orthogonalisation effect due to s-core states in such sp-bonded metals. Temperature dependence of structure factor is considered through temperature dependent potential parameter in the pair potential. The coherent behaviour of liquid Sn in terms of the dynamic structure factor employing viscoelastic theory has also been studied. Intrinsic temperature effect has been studied through damping term\hbox{${\exp}( {-\frac{{\pi k}_{{B}} {T}}{{2k}_{{F}} }{r}} )$} exp (−πkBT2kFr)in the pair potential. The predicted results for VACF, cosine power spectrum, mean square displacement, diffusion and viscosity coefficients have been compared with recent available data, and a good agreement has been achieved. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2014

Keywords: Computational Methods (search for similar items in EconPapers)
Date: 2014
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DOI: 10.1140/epjb/e2014-40888-7

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