MOLECULAR-DYNAMICS STUDY OF MOLTEN LITHIUM IODIDE

被引：0
|
作者：
ITOH, S [1 ]
KONAGAI, M [1 ]
TAKAHASHI, K [1 ]
机构：
[1] TOKYO INST TECHNOL, DEPT ELECT & ELECTR ENGN, MEGURO KU, TOKYO 152, JAPAN
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1991年 / 46卷 / 1-2期
关键词：
MOLECULAR DYNAMICS; LIQUID STRUCTURE; LIL; LITHIUM IODIDE; PRESSURE;
D O I：
暂无
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The structural and dynamic properties of molten lithium iodide are investigated at two pressures (334 MPa at 784 K and 1054 MPa at 915 K), using molecular dynamics simulations with Born-Mayer-Huggins type pair potentials. On increasing the pressure, the local packing of the ions changes from tetrahedral to octahedral, the self-exchange velocity in the coordination shells decreases by a factor of 0.031, D(Li) by a factor of 0.033 and D(I) by a factor of 0.021.
引用
收藏
页码：155 / 159
页数：5
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