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Monte Carlo simulations of hard cyclic pentamers in two dimensions

 

作者: A. Brańka,   K.W. Wojciechowski,  

 

期刊: Molecular Physics  (Taylor Available online 1993)
卷期: Volume 78, issue 6  

页码: 1513-1526

 

ISSN:0026-8976

 

年代: 1993

 

DOI:10.1080/00268979300100991

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The orientationally disordered phase of the two-dimensional hard cyclic pentamer system has been studied by Monte Carlo simulations. Various structural quantities have been calculated at several densities. The singlet distribution function, studied in detail, reveals considerable coupling between translational and rotational molecular motions. The coupling, stronger at higher densities, is present also at lower densities, down to melting, and cannot be neglected in any structural analysis of the system. An orientational transition connected with a change observed in the translational-orientational coupling is suggested.

 

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