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Structure and dynamics of molten SrCl2
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2020-04-26 , DOI: 10.1080/00319104.2020.1757095
Yu. D. Fomin 1
Affiliation  

ABSTRACT Strontium chloride is a well-known crystalline superionic conductor. Because of this, a lot of attention was paid to its properties in crystalline phase, especially in the vicinity of transition into the supeionic state. In the present paper, we perform a molecular dynamics study of structural and dynamic properties of liquid strontium chloride. We show that its structure only modestly depends on the temperature. At the same time, the dynamic properties, such as diffusion do demonstrate strong temperature dependence. We also discuss the presence of optical modes in molten SrCl 2

中文翻译:

熔融 SrCl2 的结构和动力学

摘要 氯化锶是一种众所周知的晶体超离子导体。因此,人们对其结晶相的性质给予了很多关注,特别是在过渡到超离子状态附近。在本论文中,我们对液态氯化锶的结构和动力学特性进行了分子动力学研究。我们表明它的结构只是适度地依赖于温度。同时,动态特性,例如扩散,确实表现出强烈的温度依赖性。我们还讨论了熔融 SrCl 2 中光学模式的存在
更新日期:2020-04-26
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