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

页码：155 / 159

页数：5

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