Molecular dynamics study on glass and molten state of AgI-AgPO3
Molecular dynamics study on glass and molten state of AgI-AgPO3
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AgI-AgPO3 玻璃态和熔融态的分子动力学研究
DOI：
10.1051/epjconf/201715103005
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Shigeki Matsunaga
中科院分区：
文献类型：
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作者：
Ishikawa Y.;Ohya K.;Miura S.;Fujii Y.;Mitsudo S.;Mizusaki T.;Fukuda A.;Matsubara A.;Kikuchi H.;Asano T.;Yamamori H.;Lee S.;Vasiliev S.;Shigeki Matsunaga
对AgI-AgPO3的熔融态和玻璃态进行了分子动力学模拟，研究了AgI-AgPO3的结构特征和输运性质。在分子动力学中，使用了包含离子极化率影响的屏蔽Born-Mayer型势。讨论了结构、电导率、剪切粘度和Voronoi多面体与温度变化的关系。
Molecular dynamics (MD) simulation on molten and glass state of AgI-AgPO3have been performed to investigate the structural features and transport properties. In MD, the screened Born-Mayer type potentials including the effect of polarizability of ions have been used. The structure, conductivity, shear viscosity, and Voronoi polyhedron are discussed in relation with the temperature change.