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Molecular dynamics studies of argon-diluted nitrogen films adsorbed on graphite

 

作者: Stefan Sokolowski,   William Steele,  

 

期刊: Molecular Physics  (Taylor Available online 1985)
卷期: Volume 54, issue 6  

页码: 1453-1468

 

ISSN:0026-8976

 

年代: 1985

 

DOI:10.1080/00268978500101101

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Molecular dynamics simulations of thermodynamic properties and order parameters are reported for mixtures of argon and nitrogen adsorbed as a monolayer in registry with the graphitic basal plane. Two concentrations were treated: 5·41 and 10·42 mole per cent Ar, using initial argon positions in the layer selected randomly. Although the calculated properties of these phases show some scatter from run to run (due to differences in the initial Ar atom configurations), the results showed quite clearly that the in-plane orientational order-disorder transition progressed to a lower temperature, became broader and involved smaller energy changes as the pure N2layer was diluted with argon.

 

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