Static structure and ionic transport in molten AgBr and AgCl

Tasseven, C.; Trullas, J.; Alcaraz, O.; Silbert, M.; Giro, A.
May 1997
Journal of Chemical Physics;5/1/1997, Vol. 106 Issue 17, p7286
Academic Journal
Calculates the static structure of molten solids using the hypernetted chain theory of liquids (HNC) and molecular dynamics (MD) simulations with effective potentials based on the functional form originally proposed by Vashishta and Rahman. Outline of the HNC and MD simulations; Time correlation functions and ionic transport properties.


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