Polymorphic transitions in highly compressed molecular nitrogen. Application of Mayer group expansion for solids

被引：0
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作者：
Yakub, E.S. [1 ]
Yakub, L.N. [2 ]
机构：
[1] Cybernetics Department, Odessa National Economic University, Odessa,65082, Ukraine
[2] Thermophysics Department, Odessa National Academy of Food Technologies, Odessa,65039, Ukraine
来源：
Fizika Nizkikh Temperatur | 2022年 / 48卷 / 02期
关键词：
Temperature distribution - Calculations;
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摘要：
We applied the Mayer group expansion method for solids to predict locations of the polymorphic phase transitions lines between molecular Ε and ζ phases, as well as between molecular ζ phase and polymeric cubic-gauche-phase in highly compressed nitrogen solid. A simple potential model is proposed and its parameters are determined using known ab initio energy calculations for the molecular α phase. The results are compared with existing experimental data and the influence of intermolecular correlations on the temperature dependence of phase transition pressures is estimated. © E. S. Yakub and L. N. Yakub, 2022
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页码：185 / 190
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