An empirical molecular dynamics potential in the Charge-Optimized Many-Body (COMB) formalism that covers the whole uranium-oxygen composition range has been developed. Extended from a previous potential for uranium metal, this universal UO potential is able to model more than 20 phases of uranium oxides. The potential's flexibility, accuracy and transferability have been fully verified by rigorous testing and comparison with ab-initio calculations and experimental measurements. It is shown to be one of the most versatile and high-quality UO₂ potentials, the first potential for U₄O₉, U₃O₇ and UO₃, and the first usable U₃O₈ potential. Many important properties of major oxides in the UO phase diagram have been calculated and critically reviewed, including the cohesive energy, formation/reaction energies, lattice parameters, elastic constants, bulk/shear moduli, and energies for non-stoichiometric point defects and stoichiometric defects pairs. Due to its special design and parameterization process, this UO potential is shown to outperform all other existing ones by either obtaining higher accuracy for many of these quantities, or exclusively being able to calculate some of them. The successfully development of this potential provides a useful, reliable and convenient tool for molecular dynamics simulations that are previously impossible or unreliable to do for many materials in the UO system. Correction for several published oxide structures is also included in the appendix.

在电荷优化的多主体（COMB）形式论中，涵盖了整个铀-氧组成范围的经验分子动力学潜力已经得到开发。从以前的铀金属电位扩展而来，这种通用的U O电位能够对20多个铀氧化物相进行建模。潜在的灵活性，准确性和可转移性已通过严格的测试以及与从头算和实验测量值的比较得到了充分验证。它是最通用，最优质的UO ₂电位之一，是U ₄ O ₉，U ₃ O ₇和UO ₃的第一个电位，以及第一个可用的U ₃ O _8。潜在的。已计算并严格审查了U O相图中主要氧化物的许多重要性质，包括内聚能，形成/反应能，晶格参数，弹性常数，体/剪切模量以及非化学计量点缺陷和化学计量能缺陷对。由于其特殊的设计和参数化过程，通过为许多这些量获得更高的精确度，或者仅能够计算其中的一些量，该U O势将优于其他所有现有势。这种潜能的成功开发为分子动力学模拟提供了一个有用，可靠且方便的工具，而以前对于U中的许多材料而言，这是不可能或不可靠的O系统。附录中还包括对几种已公开的氧化物结构的校正。