Lithium and tritium diffusion in lithium oxide (Li2O), a molecular dynamics simulation

被引：19

作者：

Pfeiffer, H

Sánchez-Sánchez, J

Alvarez, LJ

机构：

[1] Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Mexico City 09340, DF, Mexico

[2] Univ Nacl Autonoma Mexico, Inst Matemat, Lab Simulac Mat, Cuernavaca 62251, Morelos, Mexico

来源：

JOURNAL OF NUCLEAR MATERIALS | 2000年 / 280卷 / 03期

关键词：

D O I：

10.1016/S0022-3115(00)00063-5

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular dynamics simulations of Li2O were performed in the microcanonical ensemble at several different temperatures in order to study the lithium diffusion process, and a preliminary exploration of the diffusion of tritium was performed. Different Li/O molar ratios were used to investigate the role of non-stoichiometry in the Li diffusion processes. The mechanism of lithium diffusion as a function of temperature is proposed based on the analysis of our simulations and a model is proposed to explain the overall behaviour of the lithium diffusion coefficient as a function of temperature. Our simulations suggest what is the role of hydrogen in the tritium release from breeder ceramic materials. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：295 / 303

页数：9

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