Molecular dynamics studies of layered fluorite superionic conductors

被引：7

作者：

Nomura, K

Kobayashi, M ^{[1
]}

机构：

[1] Niigata Univ, Dept Phys, Niigata 95021, Japan

[2] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan

来源：

IONICS | 2003年 / 9卷 / 1-2期

关键词：

Physical Chemistry; Analytical Chemistry; Diffusion Coefficient; Molecular Dynamic; Computer Simulation;

D O I：

10.1007/BF02376538

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：

A computer simulation by a molecular dynamics method at constant volume has been performed to a model material which is composed of accumulating two different fluorite conductors: ...BaF2-CaF2-BaF2-CaF2....CaF2 region is compressed and BaF2 region is stretched along the c-axis (z-axis). It is obtained that the diffusion coefficient and ionic conductivity of F ions in the layered fluorite conductors increases with decreasing periods, namely with the number of interfaces.

引用

页码：64 / 66

页数：3

共 3 条

[1] MOLECULAR-DYNAMICS STUDIES OF SUPERIONIC CONDUCTOR CAF2 [J].