A molecular dynamics simulation of (1 1 0) surface premelting in Ni

Molecular dynamics simulations were used to examine the premelting behavior of the (1 1 0) surface for an embedded atom method model of pure nickel. The distributions of liquid layer widths were obtained at five temperatures ranging from 2 to 30 K below the melting point. The results were used to co...

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Bibliographic Details
Published inScripta materialia Vol. 63; no. 1; pp. 128 - 131
Main Authors Song, H., Fensin, S.J., Asta, M., Hoyt, J.J.
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.07.2010
Subjects
Computer simulation
Construction
Embedded atom method
Liquids
Mathematical models
Melting points
Molecular dynamics
Nickel
Premelting
Solid–liquid interfaces
Thermodynamics
Molecular dynamics
Solid–liquid interfaces
Premelting
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Summary:Molecular dynamics simulations were used to examine the premelting behavior of the (1 1 0) surface for an embedded atom method model of pure nickel. The distributions of liquid layer widths were obtained at five temperatures ranging from 2 to 30 K below the melting point. The results were used to construct the structural contribution to the disjoining potential, which describes the short-ranged contribution to the thermodynamic driving force for surface premelting.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2010.03.032