Charge ordering and size effects in sodium chloride and copper chloride melts. A computer simulation study

J. Trullàs, A. Giró, J.A. Padró and M. Silbert

Physica A: Statistical Mechanics and its Applications, 1991, vol. 171, issue 2, 384-402

Abstract: The molecular dynamics studies presented in this work are concerned with two systems, molten NaCl and CuCl. In the former the ionic radii ratio is 0.74 while in the latter it is 0.36, which allows the study of the effects due to size difference. Studies of the effects due to charge ordering have also been carried out by considering incomplete ionization and the complete removal of the Coulomb interaction. Both the statics-pair distribution functions gαβ(r)- and time correlations-the normalized velocity autocorrelation functions Cαt- have been studied.

Date: 1991
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:171:y:1991:i:2:p:384-402

DOI: 10.1016/0378-4371(91)90285-K

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