Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals

Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals

Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated static structure shows good agreement with the available X-ray a...

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Bibliographic Details
Main Authors: G.M. Bhuiyan, L.E. Gonzalez, D.J. Gonzalez
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2012-10-01
Series:Condensed Matter Physics
Subjects:
liquid noble metals
orbital free density functional theory
molecular dynamics simulations
static structure
dynamic properties
transport coefficients
Online Access:http://dx.doi.org/10.5488/CMP.15.33604

Internet

http://dx.doi.org/10.5488/CMP.15.33604

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