核燃料材料的电子关联和输运性质
Electronic Correlation and Transport Properties of Nuclear Fuel Materials
摘要：
锕系元素，如铀和钚，以及它们的化合物是最有名的核材料。在设计用于核能的最佳燃料材料时，需要考虑的重要热物理性质是熔点和导热性。理解锕系元素系统中电子和晶格振动引起的传输现象的物理基础是设计更好燃料的关键一步。采用第一性原理LDA+DMFT方法，对核燃料材料中的锕系碳化物、氮化物和氧化物的相关电子结构和输运性质进行了系统的研究。我们发现，不同的机制，电子-电子和电子-声子的相互作用，负责在氮化铀和碳化铀，最好的两种燃料材料，由于其优异的热物理性能的运输。我们的研究结果使我们能够预测如何提高它们的热导率。
英文摘要：
Actinide elements, such as uranium and plutonium, and their compounds are best known as nuclear materials. When engineering optimal fuel materials for nuclear power, important thermophysical properties to be considered are melting point and thermal conductivity. Understanding the physics underlying transport phenomena due to electrons and lattice vibrations in actinide systems is a crucial step toward the design of better fuels. Using first principle LDA+DMFT method, we conduct a systematic study on the correlated electronic structures and transport properties of select actinide carbides, nitrides, and oxides, many of which are nuclear fuel materials. We find that different mechanisms, electrons--electron and electron--phonon interactions, are responsible for the transport in the uranium nitride and carbide, the best two fuel materials due to their excellent thermophysical properties. Our findings allow us to make predictions on how to improve their thermal conductivities.
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