Freezing of 4He and its liquid-solid interface from density functional theory

We show that, at high densities, fully variational solutions of solidlike types can be obtained from a density functional formalism originally designed for liquid 4He . Motivated by this finding, we propose an extension of the method that accurately describes the solid phase and the freezing transit...

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Detalhes bibliográficos
Autores: Ancilotto, Francesco, Barranco Gómez, Manuel, Caupin, F., Mayol Sánchez, Ricardo, Pi Pericay, Martí
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2005
País:España
Recursos:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/10553
Acesso em linha:https://hdl.handle.net/2445/10553
Access Level:acceso abierto
Palavra-chave:Líquids quàntics
Teoria del funcional de densitat
Heli
Equacions d'estat
Quantum fluids
Density functional theory
Helium
Equations of state
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spelling Freezing of 4He and its liquid-solid interface from density functional theoryAncilotto, FrancescoBarranco Gómez, ManuelCaupin, F.Mayol Sánchez, RicardoPi Pericay, MartíLíquids quànticsTeoria del funcional de densitatHeliEquacions d'estatQuantum fluidsDensity functional theoryHeliumEquations of stateWe show that, at high densities, fully variational solutions of solidlike types can be obtained from a density functional formalism originally designed for liquid 4He . Motivated by this finding, we propose an extension of the method that accurately describes the solid phase and the freezing transition of liquid 4He at zero temperature. The density profile of the interface between liquid and the (0001) surface of the 4He crystal is also investigated, and its surface energy evaluated. The interfacial tension is found to be in semiquantitative agreement with experiments and with other microscopic calculations. This opens the possibility to use unbiased density functional (DF) methods to study highly nonhomogeneous systems, like 4He interacting with strongly attractive impurities and/or substrates, or the nucleation of the solid phase in the metastable liquid.The American Physical Society200920092005info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion5 p.application/pdfhttps://hdl.handle.net/2445/10553Articles publicats en revistes (Física Quàntica i Astrofísica)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.72.214522Physical Review B, 2005, vol. 72, núm. 21, p. 214522-1-214522-5http://dx.doi.org/10.1103/PhysRevB.72.214522(c) The American Physical Society, 2005info:eu-repo/semantics/openAccessoai:recercat.cat:2445/105532026-05-29T05:05:01Z
dc.title.none.fl_str_mv Freezing of 4He and its liquid-solid interface from density functional theory
title Freezing of 4He and its liquid-solid interface from density functional theory
spellingShingle Freezing of 4He and its liquid-solid interface from density functional theory
Ancilotto, Francesco
Líquids quàntics
Teoria del funcional de densitat
Heli
Equacions d'estat
Quantum fluids
Density functional theory
Helium
Equations of state
title_short Freezing of 4He and its liquid-solid interface from density functional theory
title_full Freezing of 4He and its liquid-solid interface from density functional theory
title_fullStr Freezing of 4He and its liquid-solid interface from density functional theory
title_full_unstemmed Freezing of 4He and its liquid-solid interface from density functional theory
title_sort Freezing of 4He and its liquid-solid interface from density functional theory
dc.creator.none.fl_str_mv Ancilotto, Francesco
Barranco Gómez, Manuel
Caupin, F.
Mayol Sánchez, Ricardo
Pi Pericay, Martí
author Ancilotto, Francesco
author_facet Ancilotto, Francesco
Barranco Gómez, Manuel
Caupin, F.
Mayol Sánchez, Ricardo
Pi Pericay, Martí
author_role author
author2 Barranco Gómez, Manuel
Caupin, F.
Mayol Sánchez, Ricardo
Pi Pericay, Martí
author2_role author
author
author
author
dc.subject.none.fl_str_mv Líquids quàntics
Teoria del funcional de densitat
Heli
Equacions d'estat
Quantum fluids
Density functional theory
Helium
Equations of state
topic Líquids quàntics
Teoria del funcional de densitat
Heli
Equacions d'estat
Quantum fluids
Density functional theory
Helium
Equations of state
description We show that, at high densities, fully variational solutions of solidlike types can be obtained from a density functional formalism originally designed for liquid 4He . Motivated by this finding, we propose an extension of the method that accurately describes the solid phase and the freezing transition of liquid 4He at zero temperature. The density profile of the interface between liquid and the (0001) surface of the 4He crystal is also investigated, and its surface energy evaluated. The interfacial tension is found to be in semiquantitative agreement with experiments and with other microscopic calculations. This opens the possibility to use unbiased density functional (DF) methods to study highly nonhomogeneous systems, like 4He interacting with strongly attractive impurities and/or substrates, or the nucleation of the solid phase in the metastable liquid.
publishDate 2005
dc.date.none.fl_str_mv 2005
2009
2009
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/10553
url https://hdl.handle.net/2445/10553
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.72.214522
Physical Review B, 2005, vol. 72, núm. 21, p. 214522-1-214522-5
http://dx.doi.org/10.1103/PhysRevB.72.214522
dc.rights.none.fl_str_mv (c) The American Physical Society, 2005
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) The American Physical Society, 2005
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 5 p.
application/pdf
dc.publisher.none.fl_str_mv The American Physical Society
publisher.none.fl_str_mv The American Physical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Física Quàntica i Astrofísica)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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