The structure of molten AgCl revisited

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To access the full text documents, please follow this link: http://hdl.handle.net/2117/10232

dc.contributor	Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.contributor	Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
dc.contributor.author	Trullàs Simó, Joaquim
dc.contributor.author	Alcaraz Sendra, Olga
dc.contributor.author	Silbert, Moises
dc.date	2002-09
dc.identifier.citation	Trullàs, J.; Alcaraz, O.; Silbert, M. The structure of molten AgCl revisited. "Journal of non-crystallne solids", Setembre 2002, vol. 312-314, p. 438-442.
dc.identifier.citation	0022-3093
dc.identifier.uri	http://hdl.handle.net/2117/10232
dc.language.iso	eng
dc.relation	http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TXM-46RD39T-4-1&_cdi=5594&_user=1517299&_pii=S0022309302017076&_origin=browse&_zone=rslt_list_item&_coverDate=10%2F31%2F2002&_sk=996879999&wchp=dGLbVlb-zSkWb&md5=7b95eb1c5626276bc71d80a12d27c3a8&ie=/sdarticle.pdf
dc.rights	Attribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights	info:eu-repo/semantics/openAccess
dc.rights	http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subject	Àrees temàtiques de la UPC::Física
dc.subject	Molecular dynamics--Simulation methods
dc.subject	Dinàmica molecular -- Simulació per ordinador
dc.title	The structure of molten AgCl revisited
dc.type	info:eu-repo/semantics/publishedVersion
dc.type	info:eu-repo/semantics/article
dc.description.abstract	We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta–Rahman (VR) or the Born–Mayer rigidion potentials to which the anion-induced polarization contribution is added. Both model potentials reproduce well the main features of the structure of molten AgCl with that using the VR model potential giving marginally better results.

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