Triuranium disilicide (U₃Si₂) has been identified as an accident resistant alternative to uranium oxide (UO₂) based fuels. While experimental studies of U₃Si₂ are not new, only few studies on the thermal conductivity has been reported. Theoretical studies of the thermal properties of U₃Si₂ are scarce. We found that inaccuracies in experimental data were a source of discrepancies in recently reported theoretical results, as such need to be addressed. In this work, the structural, thermal, and mechanical properties of, the non-magnetic and magnetic phases, of U₃Si₂ were investigated using Hubbard corrected density functional theory (DFT$+U$) and molecular dynamics (MD) simulations. The lattice and electronic thermal properties were determined based on Boltzmann transport equation (BTE) approaches. A considerable anisotropy was determined the lattice and electronic contributions to the thermal conductivity from DFT$+U$/BTE results, in which the electronic contribution is predominant. A relative good agreement between the lattice contributions to the thermal conductivity, predicted from DFT$+U$ and MD computations, were determined by the similitude in the acoustic phonon modes. The present computational results significantly enhance the understanding of the thermal properties of U₃Si₂. The good agreement between DFT$+U$/BTE results with experimental data confirm the accident tolerant characteristic of U₃Si₂, but also further demonstrating the accuracy of the DFT($+U$)/BTE approach for the investigation of thermal properties of advanced nuclear fuels.

二硅化_三铀（U ₃ Si ₂）已被确认为可替代铀氧化物（UO ₂）的燃料的防事故材料。尽管对U ₃ Si _2的实验研究不是新的，但是关于热导率的研究很少。对U ₃ Si ₂的热性能的理论研究很少。我们发现，实验数据的不准确是最近报告的理论结果不一致的根源，因此需要解决。在这项工作中，U ₃ Si ₂的非磁性和磁性相的结构，热和机械性能 使用Hubbard校正密度泛函理论（DFT）进行了研究$+ü$）和分子动力学（MD）模拟。基于玻尔兹曼输运方程（BTE）方法确定晶格和电子热性能。确定了相当大的各向异性，DFT的晶格和电子对热导率的贡献$+ü$/ BTE结果，其中电子贡献占主导地位。根据DFT预测，晶格对导热系数的贡献相对较好$+ü$和MD的计算，是由声子声子模式下的相似性决定的。当前的计算结果极大地增强了对U ₃ Si ₂的热性能的理解。DFT之间的良好协议$+ü$/ BTE结果和实验数据证实了U ₃ Si _2的容错特性，但也进一步证明了DFT（$+ü$）/ BTE方法研究高级核燃料的热性能。