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.

中文翻译：

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固体的 Mayer 群扩展：在高压缩氮气中多晶型转变的应用

早先提出的固体 Mayer 群展开式应用于预测聚合氮的立方相和层状相之间的多晶型相变线的位置。与现有测量结果的比较表明，基于从头算能量计算校准的拟议潜在模型的理论计算与现有实验数据一致。讨论了多晶型转变线的预测位置和两相在很宽的温度范围内的热性能的特定行为。