A polarizable ion model for the structure of molten AgI

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dc.creatorBitrián, Vicente
dc.creatorTrullàs, Joaquim
dc.date2007-07-17
dc.date.accessioned2026-07-07T08:18:47Z
dc.date.available2026-07-07T08:18:47Z
dc.descriptionThe results are reported of the molecular dynamics simulations of the coherent static structure factor of molten AgI at 923 K using a polarizable ion model. This model is based on a rigid ion potential, to which the many body interactions due to the anions induced polarization are added. The calculated structure factor is in better agreement with recent neutron diffraction data than that obtained by using simple rigid ion pair potentials. The Voronoi-Delaunay method has been applied to study the relationship between voids in the spatial distribution of cations and the prepeak of the structure factor.
dc.description12 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/0707.2544
dc.identifierhttp://arxiv.org/abs/0707.2544
dc.identifierThe Journal of Chemical Physics 126, 021105 (2007)
dc.identifierdoi:10.1063/1.2432346
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/134553
dc.subjectSoft Condensed Matter
dc.subjectChemical Physics
dc.titleA polarizable ion model for the structure of molten AgI
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