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Título
Properties of bulk liquid Pd and Pt and their free liquid surface studied with first principles techniques
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
Patrocinador
Junta de Castilla y León (Ref. project VA124G18)
Ministerio de Economía, Industria y Competitividad (Project PGC2018–093745-B-I00) and FEDER
Ministerio de Economía, Industria y Competitividad (Project PGC2018–093745-B-I00) and FEDER
Version del Editor
Propietario de los Derechos
© 2020 IOP Publishing
Idioma
spa
Tipo de versión
info:eu-repo/semantics/acceptedVersion
Derechos
openAccess
Collections
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