非谐性
热导率
声子
材料科学
热的
凝聚态物理
传热
格子(音乐)
比热
热力学
物理
复合材料
声学
作者
Quan Yin,Sergey Y. Savrasov
标识
DOI:10.1103/physrevlett.100.225504
摘要
Using a novel many-body approach, we report lattice dynamical properties of UO2 and PuO2 and uncover various contributions to their thermal conductivities. Via calculated Grueneisen constants, we show that only longitudinal acoustic modes having large phonon group velocities are efficient heat carriers. Despite the fact that some optical modes also show their velocities which are extremely large, they do not participate in the heat transfer due to their unusual anharmonicity. Ways to improve thermal conductivity in these materials are discussed.
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