Distribution Difference of Ag and Cu Ions in the Superionic Conductive Phase of AgBr-CuBr System: An Approach towards Molecular Dynamics Simulation

S. Matsunaga
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Abstract

The structural features of the superionic phase for (AgxCux-1)Br of x<0.5, which contains two kinds of moveable cations, Ag+ and Cu+, were investigated using molecular dynamics modelling.In the superionic phase, the distribution of Ag+ and Cu+ ions differs.The distribution of cations and their pair distribution functions show concentration dependency as well.
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Ag和Cu离子在agbr - cur超导电相中的分布差异:一种分子动力学模拟方法
采用分子动力学模型研究了(AgxCux-1)Br (x<0.5)中含有Ag+和Cu+两种可移动阳离子的超离子相的结构特征。在超离子相中,Ag+和Cu+离子的分布不同。阳离子的分布及其对分布函数也表现出浓度依赖性。
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