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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