In this paper, the molar specific heat capacity is theoretically predicted for stoichiometric UO_2.00 in the temperature range from 0 K to 3000 K. The λ-phase transition at 2670 ± 30 K and its transformation heat is predicted. Furthermore, the occurrence of a small discontinuity corresponds to the rapid and simultaneous magnetic, electrical, and structural transition to occurs at 30.5 K and unit cell change at 30.8 K have been reported. Debye temperature assumed for UO_2.00 is \({\Theta }_{D}\cong 900K\). The Gibbs–Thomson coefficient applied to calculate the density of state is derived from considering the strain in the interior of the crystal due to the free surface of the solid grain. A new relation between surface tension and surface energy during solid–liquid nucleation is established, allowing calculating Gibbs–Thomson in terms of surface tension or surface energy. Theoretical predictions are plotted against experimental scatter.

在本文中，理论预测了化学计量的 UO _2.00在 0 K 到 3000 K 的温度范围内的摩尔比热容。预测了2670 ± 30 K 的 λ 相变及其转变热。此外，据报道，在 30.5 K 和 30.8 K 处发生晶胞变化时，出现的小不连续性对应于快速且同时发生的磁、电和结构转变。假设 UO _{2.00 的}德拜温度为\({\Theta }_{D}\cong 900K\). 用于计算态密度的 Gibbs-Thomson 系数是通过考虑由于固体颗粒的自由表面引起的晶体内部应变而推导出来的。建立了固液成核过程中表面张力和表面能之间的新关系，允许根据表面张力或表面能计算 Gibbs-Thomson。理论预测是根据实验散射绘制的。