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Molecular dynamics study of self-diffusion in a thin film lennard-jones systems

✍ Scribed by S. Das Sarma; K.E. Khor; Sun-Mok Paik; T.R. Kirkpatrick

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 338 KB
Volume: 120
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)87020-2

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✦ Synopsis

Molecular dynamics simulation is used IO smdy syslemalically the dependence of atomic self-diffusion in a thin iilm Lennard-Jones system on temperature. densizy. and ihe film thickness. Known (three-dimensional) bulk behavior is reproduced for a film only 5-I layers thick. The Lime needed lor dillLsive behavior LO se1 in goes up substintially for thinner systems indicating the absence of a rigorous diffusion constant in a strictly two-dimensional system. Qualitative result for the se&diffusion coefIicienr are presented.

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