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
Año del Documento
2023
Editorial
AIP Publishing
Descripción
Producción Científica
Documento Fuente
The Journal of Chemical Physics, 2023, Vol. 159, p. 234502:1-12
Resumo
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
Patrocinador
Ministerio de Economía y Competitividad (proyecto PGC2018-093745-B-I00) y fondos FEDER
Ministerio de Universidades (programa María Zambrano) y fondos NextGenerationEU
Ministerio de Universidades (programa María Zambrano) y fondos NextGenerationEU
Version del Editor
Idioma
eng
Tipo de versión
info:eu-repo/semantics/acceptedVersion
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