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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/42609

    Título
    Properties of bulk liquid Pd and Pt and their free liquid surface studied with first principles techniques
    Autor
    González del Río, Beatriz
    González Tesedo, Luis EnriqueAutoridad UVA
    González Fernández, David JoséAutoridad UVA
    Año del Documento
    2020
    Editorial
    IOP Publishing
    Descripción
    Producción Científica
    Documento Fuente
    Modelling and Simulation in Materials Science and Engineering, 2020,Volume 28, Number 4
    Abstract
    We have performed first principles computer simulations in order to study the structural and dynamic properties of bulk liquid Pd and Pt near their melting points. We find good agreement with the available experimental static structure and transport properties, and furthermore we provide more detailed information that is not available from experiments. Additional simulations have also been undertaken so as to study the free liquid surface of both liquid metals. The calculated longitudinal ionic density profile exhibits an oscillatory behavior whose properties have been analyzed. For both metals, the associated intrinsic surface structure factor presents a marked maximum related to surface layering
    Materias Unesco
    22 Física
    Palabras Clave
    Liquid Pd
    ISSN
    0965-0393
    Revisión por pares
    SI
    DOI
    10.1088/1361-651X/ab7e38
    Patrocinador
    Junta de Castilla y León (Ref. project VA124G18)
    Ministerio de Economía, Industria y Competitividad (Project PGC2018–093745-B-I00) and FEDER
    Version del Editor
    https://iopscience.iop.org/article/10.1088/1361-651X/ab7e38
    Propietario de los Derechos
    © 2020 IOP Publishing
    Idioma
    spa
    URI
    http://uvadoc.uva.es/handle/10324/42609
    Tipo de versión
    info:eu-repo/semantics/acceptedVersion
    Derechos
    openAccess
    Collections
    • PNM - Artículos de revistas [15]
    • DEP33 - Artículos de revista [106]
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    Attribution-NonCommercial-NoDerivatives 4.0 InternacionalExcept where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 Internacional

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