Физика Низких Температур: Том 46, Выпуск 11 (Ноябрь 2020), c. 1323-1330 ( к оглавлению , назад )
Mayer group expansion for solids: application to polymorphic transition in highly compressed nitrogen
E. S. Yakub1 and L. N. Yakub2
1Cybernetics Department, Odessa National Economic University, Odessa 65082, Ukraine
2Thermophysics Department, Odessa National Academy of Food Technologies, Odessa 65039, Ukraine
Received July 23, 2020, published online September 21, 2020
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.
Key words: polymeric nitrogen, polymorph transition, negative thermal expansion.