Lithium diffusion in gamma-LiAlO2, a molecular dynamics simulation

被引：32
作者：
Jacobs, JP
SanMiguel, MA
Alvarez, LJ
Giral, PB
机构：
[1] UNIV NACL AUTONOMA MEXICO,DIRECC GEN SERV COMP ACAD,LAB SIMULAC MAT,MEXICO CITY 04510,DF,MEXICO
[2] UNIV AUTONOMA METROPOLITANA IZTAPALAPA,DEPT QUIM,MEXICO CITY 04390,DF,MEXICO
来源：
JOURNAL OF NUCLEAR MATERIALS | 1996年 / 232卷 / 2-3期
关键词：
D O I：
10.1016/S0022-3115(96)00435-7
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A set of molecular dynamics simulations in the microcanonical ensemble has been performed in order to study the diffusion of lithium in gamma-LiAlO2, since this material is considered as candidate material for tritium breeder for fusion reactors, In this system tritium release and diffusion depends on the diffusion of lithium. Radial distribution functions, diffusion coefficient and activation energy for the process were determined from our calculations.
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页码：131 / 137
页数：7
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