Физика Низких Температур: Том 48, Выпуск 2 (Февраль 2022), c. 185-190 ( к оглавлению , назад )
Polymorphic transitions in highly compressed molecular nitrogen. Application of Mayer group expansion for solids
E. S. Yakub
Cybernetics Department, Odessa National Economic University, Odessa 65082, Ukraine
L. N. Yakub
Thermophysics Department, Odessa National Academy of Food Technologies, Odessa 65039, Ukraine
Received April 24, 2021, published online December 25, 2021
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 cubicgauche-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.
Key words: solid nitrogen, polymeric nitrogen, polymorph transition.