Mayer group expansion for solids: Application to polymorphic transition in highly compressed nitrogen

被引:1
|
作者
Yakub, E. S. [1 ]
Yakub, L. N. [2 ]
机构
[1] Odessa Natl Econ Univ, Cybernet Dept, UA-65082 Odessa, Ukraine
[2] Odessa Natl Acad Food Technol, Thermophys Dept, UA-65039 Odessa, Ukraine
关键词
polymeric nitrogen; polymorph transition; negative thermal expansion;
D O I
10.1063/10.0002157
中图分类号
O59 [应用物理学];
学科分类号
摘要
The Mayer group expansion for solids proposed earlier is applied in prediction of the location of polymorphic phase transition line between the cubic and layered phases of polymeric nitrogen. The comparison with existing measurements revealed that theoretical calculations based on the proposed potential model calibrated on ab initio energy calculations are in agreement with existing experimental data. Predicted location of the polymorphic transition line and specific behavior of thermal properties of both phases in a wide temperature range is discussed.
引用
收藏
页码:1125 / 1131
页数:7
相关论文
共 14 条