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Molecular dynamics simulation of mixtures of hard rod‐like molecules

 

作者: Tomonori Koda,   Susumu Ikeda,  

 

期刊: AIP Conference Proceedings  (AIP Available online 1904)
卷期: Volume 708, issue 1  

页码: 152-153

 

ISSN:0094-243X

 

年代: 1904

 

DOI:10.1063/1.1764099

 

出版商: AIP

 

数据来源: AIP

 

摘要:

We performed molecular dynamics simulation of binary system of 432 hard spheres and 1008 parallel hard spherocylinders. We calculated mean square displacements of molecules. Smectic layer structure was monitored through structure factor along molecular long axis. Results indicate that the smectic layer formation decreases diffusion of molecules along the layer normal. © 2004 American Institute of Physics

 

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