碱金属
逆向蒙特卡罗
离子
价(化学)
材料科学
蒙特卡罗方法
维数之咒
化学物理
统计物理学
热力学
物理
化学
结晶学
晶体结构
数学
统计
量子力学
中子衍射
作者
Jan Swenson,Stefan Adams
标识
DOI:10.1103/physrevlett.90.155507
摘要
We have applied the bond-valence technique to reverse Monte Carlo produced structural models of mixed alkali phosphate glasses in order to elucidate the mixed alkali effect (MAE) in glasses. For the first time, the MAE is reproduced and understood directly from structural models in quantitative agreement with available experimental results. The two types of alkali ions are randomly mixed and have distinctly different conduction pathways of low dimensionality. This implies that A ions tend to block the pathways for the B ions and vice versa, and this is the main reason for the MAE.
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