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    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/63842

    Título
    Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys
    Autor
    González Del Rio, BeatrizAutoridad UVA Orcid
    González Tesedo, Luis EnriqueAutoridad UVA
    Año del Documento
    2023
    Editorial
    AIP Publishing
    Descripción
    Producción Científica
    Documento Fuente
    The Journal of Chemical Physics, 2023, Vol. 159, p. 234502:1-12
    Zusammenfassung
    The disparity between the masses of the two components in a binary liquid system can lead to the appearance of a peculiar phenomenon named “fast sound,” which was identified for the first time in Li4Pb several decades ago and later observed in other Li based alloys. However, the exact characteristics and nature of this phenomenon and the reasons behind its appearance have not totally been identified yet. In this work, we analyze the longitudinal and transverse current correlation functions of UO2 , Li4Pb, and Li0.17Pb0.83 , as obtained from ab initio molecular dynamics simulations. We find that fast sound appears to occur in the two former systems but not in the latter. Additionally, we discuss some of the properties of the liquid mixtures that may be related to the appearance (or absence) of the phenomenon, such as the composition, the polyhedral structure of the melt, and the type of bonding in the system.
    Palabras Clave
    binary liquid mixtures
    fast sound
    longitudinal and transverse dynamics
    first principles calculations
    ISSN
    0021-9606
    Revisión por pares
    SI
    DOI
    10.1063/5.0182648
    Patrocinador
    Ministerio de Economía y Competitividad (proyecto PGC2018-093745-B-I00) y fondos FEDER
    Ministerio de Universidades (programa María Zambrano) y fondos NextGenerationEU
    Version del Editor
    https://doi.org/10.1063/5.0182648
    Idioma
    eng
    URI
    https://uvadoc.uva.es/handle/10324/63842
    Tipo de versión
    info:eu-repo/semantics/acceptedVersion
    Derechos
    Aparece en las colecciones
    • PNM - Artículos de revistas [30]
    • DEP33 - Artículos de revista [199]
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    Dateien zu dieser Ressource
    Nombre:
    FS_clean.pdf
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    Universidad de Valladolid

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