MOLECULAR-DYNAMICS STUDY OF MICROSCOPIC MECHANISM OF DIFFUSION IN LI2SIO3 SYSTEM

被引：10

作者：

HABASAKI, J

机构：

[1] Department of Electronic Chemistry, Tokyo Institute of Technology, Yokohama, Nagatsuta

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1991年 / 46卷 / 07期

关键词：

D O I：

10.1515/zna-1991-0710

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：

MD simulation has been performed to learn the microscopic mechanism of diffusion of ions in the Li2SiO3 system. The motion of lithium ions can be explained by the trapping model, where lithium is trapped in the polyhedron and moves with fluctuation of the coordination number. The mean square displacement of lithium was found to correlate well with the net changes in coordination number.

引用

页码：616 / 620

页数：5

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