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Ionic dynamics on the potential energy surfaces of glassy alkali chloride systems

 

作者: Kenichi Kinugawa,   Kohei Kadono,   Hiroshi Tanaka,  

 

期刊: AIP Conference Proceedings  (AIP Available online 1992)
卷期: Volume 256, issue 1  

页码: 185-186

 

ISSN:0094-243X

 

年代: 1992

 

DOI:10.1063/1.42435

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Molecular dynamics calculations are carried out for two Coulombic glasses, LiCl and LiCl‐KCl‐CsCl. Stillinger‐Weber’s inherent structures (the configurations of potential minima) which ions in glassy state undergo during 100 ps were explored for two systems. The ions in the LiCl‐KCl‐CsCl glass diffuse collectively via the successive potential basins whose minima are distributed along zigzag ways. On the contrary, in pure LiCl glass several ions transit to the next potential basins while the remaining ions continue to stay at almost the same potential basins.

 

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