The thermal conductivity of UO2 pellet, which is used as nuclear fuel, was calculated using the nonequilibrium classical molecular dynamics method by Evans and Morriss. The result of calculation from 300-3000 K obtained presents the same tendency as experiments below 2400 K. Above 2400 K, a different tendency was observed in which the electron conduction was not negligible. The thermal conductivity using the nonequilibrium molecular dynamics method was calculated with about 1/10 number of simulation steps compared with the equilibrium molecular dynamics simulation. It was found that the nonequilibrium molecular dynamics simulation is quite effective. [S0163-1829(99)04925-5]. [References: 18]
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机译：使用埃文斯和莫里斯（Evans and Morriss）的非平衡经典分子动力学方法计算了用作核燃料的UO2颗粒的热导率。从300-3000 K的计算结果呈现出与2400 K以下的实验相同的趋势。2400 K以上的情况下，观察到电子传导不可忽略的不同趋势。与平衡分子动力学模拟相比，使用非平衡分子动力学方法计算出的导热系数约为模拟步骤的1/10。发现非平衡分子动力学模拟是相当有效的。 [S0163-1829（99）04925-5]。 [参考：18]
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