Molecular dynamics (MD) was used to establish a mechanistic basis for the experimentally observed reduction in liquidus and solidus temperatures below the melting point of the end-members for the mixed oxides $\left(\text{Th},\text{U}\right){\text{O}}_2$, $\left(\text{Th},\text{Pu}\right){\text{O}}_2$ and $\left(\text{Pu},\text{U}\right){\text{O}}_2$. This dip is found at $\sim 5\text{\%}$ additions of the oxide with higher melting point to the oxide with the lower melting point. There are many causes suggested for the dip; here the distribution of the cation Frenkel energy for the mixed oxides caused by the local environment is proposed as a contributor. Furthermore, a variant of the moving interface method which yields information on the position of the solidus and liquidus boundaries, is used to predict the phase diagrams of these systems.

分子动力学（MD）用于为实验观察到的液相线和固相线温度降低到混合氧化物末端分子熔点以下而建立的机理基础 $（\text{钍}，\text{ü}）{\text{Ø}}_2$， $（\text{钍}，\text{普}）{\text{Ø}}_2$ 和 $（\text{普}，\text{ü}）{\text{Ø}}_2$。可在以下位置找到该倾角$〜5\text{％}$将熔点较高的氧化物添加到熔点较低的氧化物中。建议出现下降的原因有很多。在这里，由当地环境引起的混合氧化物的阳离子Frenkel能量分布被提出。此外，移动接口方法的一种变体可产生有关固相线和液相线边界位置的信息，用于预测这些系统的相图。