Alkali ion migration mechanisms in silicate glasses probed by molecular dynamics simulations

被引：178

作者：

Cormack, AN ^{[1
]}

Du, J ^{[1
]}

Zeitler, TR ^{[1
]}

机构：

[1] Alfred Univ, New York State Coll Ceram, Sch Ceram Engn & Mat Sci, Alfred, NY 14802 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2002年 / 4卷 / 14期

关键词：

D O I：

10.1039/b201721k

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 application of the molecular dynamics computer simulation technique to the problem of elucidating alkali ion migration mechanisms in alkali silicate glasses is reviewed. Some new results are presented that help to clarify the processes and their timing. In particular, it is shown that alkali ions jump into empty sites; that is, the mechanisms owe more in character to their crystalline vacancy counterpart rather than their interstitial cousins.

引用

页码：3193 / 3197

页数：5

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