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

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

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.

Suggested Citation

  • Trullàs, J. & Giró, A. & Padró, J.A. & Silbert, M., 1991. "Charge ordering and size effects in sodium chloride and copper chloride melts. A computer simulation study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 171(2), pages 384-402.
    • Handle: RePEc:eee:phsmap:v:171:y:1991:i:2:p:384-402
    DOI: 10.1016/0378-4371(91)90285-K
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    1. Dupuy Yves, 1976. "Vimont (C.) et autres - Les attitudes des travailleurs et des employeurs à l'égard de l'emploi," Revue Économique, Programme National Persée, vol. 27(2), pages 313-316.
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