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Molecular dynamics analysis of the wetting front structure in metal/metal systems

KUBO, A ; MAKINO, T ; SUGIYAMA, D ; TANAKA, S.-I

Journal of materials science, 2005-05, Vol.40 (9-10), p.2395-2400 [Periódico revisado por pares]

Heidelberg: Springer

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Título:
Molecular dynamics analysis of the wetting front structure in metal/metal systems
Autor: KUBO, A ; MAKINO, T ; SUGIYAMA, D ; TANAKA, S.-I
Assuntos: Aluminum ; Condensed matter: structure, mechanical and thermal properties ; Copper ; Crystal structure ; Dynamic structural analysis ; Dynamical systems ; Dynamics ; Exact sciences and technology ; Liquids ; Materials science ; Mathematical analysis ; Molecular dynamics ; Molecular orbitals ; Molecular structure ; Physics ; Solid-fluid interfaces ; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) ; Wetting ; Wetting front
É parte de: Journal of materials science, 2005-05, Vol.40 (9-10), p.2395-2400
Notas: ObjectType-Article-2
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Descrição: We developed two-body potentials based on ab initio molecular orbital calculations, and used these to perform molecular dynamics calculations of wetting in the Al/Cu, In/Cu and Zn/Cu systems in order to clarify the structure of the wetting front. To optimize the description of liquid/solid interface energetics, it was found that the interatomic potentials differed for the surfaces having different crystal orientations, even in the cases of the same pairs of elements. Different interaction energetics resulted in a difference in the wetting behavior on the (100) and (111) surfaces. A precursor film appeared in the nonreactive system, and the condition for film formation was estimated.
Editor: Heidelberg: Springer
Idioma: Inglês

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Molecular dynamics analysis of the wetting front structure in metal/metal systems

KUBO, A ; MAKINO, T ; SUGIYAMA, D ; TANAKA, S.-I

Heidelberg: Springer

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