Teplofizika vysokikh temperatur
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Teplofizika vysokikh temperatur, 2012, Volume 50, Issue 3, Pages 354–362 (Mi tvt344)  

This article is cited in 16 scientific papers (total in 16 papers)

Thermophysical Properties of Materials

Electron contribution to energy of alkali metals in the scheme of an embedded atom model

D. K. Belashchenko

Moscow Institute of Steel and Alloys, National Research University, Moscow, Russia
References:
Abstract: The behavior of the energy of molecular dynamics models of alkali metals constructed using the embedded atom potential at high temperatures is discussed. Pair potentials and embedding potentials for lithium, sodium, potassium, rubidium, and cesium are presented as uniform analytical expressions. If the parameters of the potential of the embedded atom model (EAM) are selected based on the known dependence of the density of liquid metal on temperature, then, as temperature approaches the critical one, the actual energy increases faster than the energy of the models in all cases. The thermal contribution of electron gas to the energy of metal is considered as the cause of the discrepancy. It is shown that it is possible to eliminate the discrepancy between energies of models and the actual metal at high temperatures, if the energy of thermal excitation of electrons is taken into consideration. The difference between the actual energy of metal and the energies of EAM for liquid $\mathrm{Li}$, $\mathrm{K}$, and $\mathrm{Cs}$ is almost equal to the contribution of the thermal energy of electrons. The thermal energy of electrons is taken into account in analysis of data obtained using shock compression.
Received: 15.11.2010
English version:
High Temperature, 2012, Volume 50, Issue 3, Pages 331–339
DOI: https://doi.org/10.1134/S0018151X12010014
Bibliographic databases:
Document Type: Article
UDC: 536.7
Language: Russian
Citation: D. K. Belashchenko, “Electron contribution to energy of alkali metals in the scheme of an embedded atom model”, TVT, 50:3 (2012), 354–362; High Temperature, 50:3 (2012), 331–339
Citation in format AMSBIB
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\paper Electron contribution to energy of alkali metals in the scheme of an embedded atom model
\jour TVT
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\issue 3
\pages 354--362
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\transl
\jour High Temperature
\yr 2012
\vol 50
\issue 3
\pages 331--339
\crossref{https://doi.org/10.1134/S0018151X12010014}
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  • https://www.mathnet.ru/eng/tvt344
  • https://www.mathnet.ru/eng/tvt/v50/i3/p354
  • This publication is cited in the following 16 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Teplofizika vysokikh temperatur Teplofizika vysokikh temperatur
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