Conductivity of molten sodium chloride in an alternating electric field
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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.author | Petravic, Janka | |
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dc.contributor.author | Delhommelle, Jérôme | |
dc.date.accessioned | 2015-10-13T05:10:39Z | |
dc.date.available | 2015-10-13T05:10:39Z | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.uri | http://hdl.handle.net/1885/15906 | |
dc.description.abstract | 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 fields. We also comment on the differences in the dissipation mechanisms and the entropy change with two thermostats. | |
dc.publisher | American Institute of Physics (AIP) | |
dc.rights | http://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.source | The Journal of Chemical Physics | |
dc.subject | Keywords: 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.title | Conductivity of molten sodium chloride in an alternating electric field | |
dc.type | Journal article | |
local.description.notes | Imported from ARIES | |
local.description.refereed | Yes | |
local.identifier.citationvolume | 119 | |
dc.date.issued | 2003-10-22 | |
local.identifier.absfor | 030704 | |
local.identifier.ariespublication | MigratedxPub17203 | |
local.publisher.url | https://www.aip.org/ | |
local.type.status | Published Version | |
local.contributor.affiliation | Petravic, Janka, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | |
local.contributor.affiliation | Delhommelle, Jerome, Vanderbilt University, United States of America | |
local.bibliographicCitation.issue | 16 | |
local.bibliographicCitation.startpage | 8511 | |
local.bibliographicCitation.lastpage | 8518 | |
local.identifier.doi | 10.1063/1.1613256 | |
dc.date.updated | 2015-12-12T08:29:12Z | |
local.identifier.scopusID | 2-s2.0-0242677767 | |
Collections | ANU Research Publications |
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