Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment
Identifieur interne : 011A56 ( Main/Repository ); précédent : 011A55; suivant : 011A57Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment
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Abstract
An embedded-atom type potential for liquid indium is developed by fitting bulk liquid thermodynamic and structural data. An empirical pairwise Ar-In interaction is also proposed. Molecular-dynamics simulations of argon scattering from liquid indium are carried out and compared with molecular beam scattering data. Very good agreement is found between the experimental and theoretical angular and energy scattering distributions. This supports the potential functions used. Implications for the atomic-scale structure of liquid In and for gas-surface energy transfer are briefly discussed. © 2000 American Institute of Physics.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment</title><author><name sortKey="Chase, D" uniqKey="Chase D">D. Chase</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, Jerusalem 91904, Israel</s1><sZ>1 aut.</sZ></inist:fA14><country xml:lang="fr">Israël</country><wicri:regionArea>Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, Jerusalem 91904</wicri:regionArea><wicri:noRegion>Jerusalem 91904</wicri:noRegion></affiliation></author><author><name sortKey="Manning, M" uniqKey="Manning M">M. Manning</name><affiliation wicri:level="2"><inist:fA14 i1="02"><s1>Department of Chemistry, University of Wisconsin, Wisconsin 53706</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Wisconsin</region></placeName><wicri:cityArea>Department of Chemistry, University of Wisconsin</wicri:cityArea></affiliation></author><author><name sortKey="Morgan, J A" uniqKey="Morgan J">J. A. Morgan</name><affiliation wicri:level="2"><inist:fA14 i1="02"><s1>Department of Chemistry, University of Wisconsin, Wisconsin 53706</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Wisconsin</region></placeName><wicri:cityArea>Department of Chemistry, University of Wisconsin</wicri:cityArea></affiliation></author><author><name sortKey="Nathanson, G M" uniqKey="Nathanson G">G. M. Nathanson</name><affiliation wicri:level="2"><inist:fA14 i1="02"><s1>Department of Chemistry, University of Wisconsin, Wisconsin 53706</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Wisconsin</region></placeName><wicri:cityArea>Department of Chemistry, University of Wisconsin</wicri:cityArea></affiliation></author><author><name sortKey="Gerber, R Benny" uniqKey="Gerber R">R. Benny Gerber</name><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, Jerusalem 91904, Israel</s1><sZ>5 aut.</sZ></inist:fA14><country xml:lang="fr">Israël</country><wicri:regionArea>Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, Jerusalem 91904</wicri:regionArea><wicri:noRegion>Jerusalem 91904</wicri:noRegion></affiliation><affiliation wicri:level="2"><inist:fA14 i1="04"><s1>Department of Chemistry, University of California, Irvine, California 92697</s1><sZ>5 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Californie</region></placeName><wicri:cityArea>Department of Chemistry, University of California, Irvine</wicri:cityArea></affiliation></author></titleStmt><publicationStmt><idno type="inist">00-0493344</idno><date when="2000-11-22">2000-11-22</date><idno type="stanalyst">PASCAL 00-0493344 AIP</idno><idno type="RBID">Pascal:00-0493344</idno><idno type="wicri:Area/Main/Corpus">012282</idno><idno type="wicri:Area/Main/Repository">011A56</idno></publicationStmt><seriesStmt><idno type="ISSN">0021-9606</idno><title level="j" type="abbreviated">J. chem. phys.</title><title level="j" type="main">The Journal of chemical physics</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Argon</term><term>Atom-surface impact</term><term>Computerized simulation</term><term>Digital simulation</term><term>Experimental study</term><term>Indium</term><term>Liquid metals</term><term>Potential energy functions</term><term>Theoretical study</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>7920R</term><term>6125M</term><term>Simulation ordinateur</term><term>Etude théorique</term><term>Etude expérimentale</term><term>Argon</term><term>Collision atome surface</term><term>Simulation numérique</term><term>Fonction énergie potentielle</term><term>Métal liquide</term><term>Indium</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">An embedded-atom type potential for liquid indium is developed by fitting bulk liquid thermodynamic and structural data. An empirical pairwise Ar-In interaction is also proposed. Molecular-dynamics simulations of argon scattering from liquid indium are carried out and compared with molecular beam scattering data. Very good agreement is found between the experimental and theoretical angular and energy scattering distributions. This supports the potential functions used. Implications for the atomic-scale structure of liquid In and for gas-surface energy transfer are briefly discussed. © 2000 American Institute of Physics.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0021-9606</s0></fA01><fA02 i1="01"><s0>JCPSA6</s0></fA02><fA03 i2="1"><s0>J. chem. phys.</s0></fA03><fA05><s2>113</s2></fA05><fA06><s2>20</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment</s1></fA08><fA11 i1="01" i2="1"><s1>CHASE (D.)</s1></fA11><fA11 i1="02" i2="1"><s1>MANNING (M.)</s1></fA11><fA11 i1="03" i2="1"><s1>MORGAN (J. 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