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Conductivity of molten sodium chloride in an alternating electric field

Petravic, Janka; Delhommelle, Jérôme

Description

We study the properties of molten sodium chloride in alternating electric fields of two amplitudes and for a large range of frequencies using nonequilibrium molecular dynamics simulations, and compare the responses with two different methods of temperature control to the predictions of linear response theory. We find that the considerable nonlinearity in the resulting current density observed at low frequencies can be explained by the characteristics of the nonlinear response to constant...[Show more]

dc.contributor.authorPetravic, Janka
dc.contributor.authorDelhommelle, Jérôme
dc.date.accessioned2015-10-13T05:10:39Z
dc.date.available2015-10-13T05:10:39Z
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/1885/15906
dc.description.abstractWe study the properties of molten sodium chloride in alternating electric fields of two amplitudes and for a large range of frequencies using nonequilibrium molecular dynamics simulations, and compare the responses with two different methods of temperature control to the predictions of linear response theory. We find that the considerable nonlinearity in the resulting current density observed at low frequencies can be explained by the characteristics of the nonlinear response to constant fields. We also comment on the differences in the dissipation mechanisms and the entropy change with two thermostats.
dc.publisherAmerican Institute of Physics (AIP)
dc.rightshttp://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 13/10/15). Copyright 2003 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.1613256
dc.sourceThe Journal of Chemical Physics
dc.subjectKeywords: Computer simulation; Current density; Electric conductivity of solids; Electric field effects; Entropy; Molecular dynamics; Sodium chloride; Temperature control; Linear response theory; Molten sodium chloride; Molten materials
dc.titleConductivity of molten sodium chloride in an alternating electric field
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume119
dc.date.issued2003-10-22
local.identifier.absfor030704
local.identifier.ariespublicationMigratedxPub17203
local.publisher.urlhttps://www.aip.org/
local.type.statusPublished Version
local.contributor.affiliationPetravic, Janka, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University
local.contributor.affiliationDelhommelle, Jerome, Vanderbilt University, United States of America
local.bibliographicCitation.issue16
local.bibliographicCitation.startpage8511
local.bibliographicCitation.lastpage8518
local.identifier.doi10.1063/1.1613256
dc.date.updated2015-12-12T08:29:12Z
local.identifier.scopusID2-s2.0-0242677767
CollectionsANU Research Publications

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