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The structure of molten AgCl revisited
| dc.contributor.author | Trullàs Simó, Joaquim |
| dc.contributor.author | Alcaraz Sendra, Olga |
| dc.contributor.author | Silbert, Moises |
| dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
| dc.date.accessioned | 2010-11-09T19:47:07Z |
| dc.date.available | 2010-11-09T19:47:07Z |
| dc.date.created | 2002-09 |
| dc.date.issued | 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.issn | 0022-3093 |
| dc.identifier.uri | http://hdl.handle.net/2117/10232 |
| 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. |
| dc.format.extent | 5 p. |
| dc.language.iso | eng |
| dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
| dc.subject | Àrees temàtiques de la UPC::Física |
| dc.subject.lcsh | Molecular dynamics--Simulation methods |
| dc.title | The structure of molten AgCl revisited |
| dc.type | Article |
| dc.subject.lemac | Dinàmica molecular -- Simulació per ordinador |
| dc.contributor.group | Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity |
| dc.relation.publisherversion | 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.access | Restricted access - publisher's policy |
| local.identifier.drac | 794303 |
| dc.description.version | Postprint (published version) |
| local.citation.author | Trullàs, J.; Alcaraz, O.; Silbert, M. |
| local.citation.publicationName | Journal of non-crystallne solids |
| local.citation.volume | 312-314 |
| local.citation.startingPage | 438 |
| local.citation.endingPage | 442 |
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