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A simple model for the entropy of melting of monatomic liquids
Applied Physics Letters ( IF 4 ) Pub Date : 2021-02-24 , DOI: 10.1063/5.0041604
Drew Lilley 1, 2 , Anubhav Jain 1 , Ravi Prasher 1, 2
Affiliation  

We present an analytical model for calculating the entropy at melt of monatomic liquids. The model is motivated by the concept of a rough potential energy surface. It offers a simple, physical explanation for Richard's melting rule and provides a material-dependent correction to Trouton's vaporization rule. Without employing any adjustable parameters, the model agrees closely with experimental entropy of melting values for monatomic liquids. When combined with the phonon theory of liquids, it allows for estimation of entropy over the entire liquid range.

中文翻译:

单原子液体熔化熵的简单模型

我们提出了一种分析模型,用于计算单原子液体熔化时的熵。该模型是由粗糙的势能面的概念驱动的。它为Richard的熔化规则提供了简单的物理解释,并提供了对Trouton汽化规则的依赖于材料的校正。在不采用任何可调整参数的情况下,该模型与单原子液体的熔融值的实验熵非常吻合。当与液体的声子理论结合使用时,它可以估计整个液体范围内的熵。
更新日期:2021-02-26
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