Thermal conductivity of uranium dioxide by nonequilibrium molecular dynamics simulation

Article

关键词: COEFFICIENTS;    SOLIDS;   

DOI  :  10.1103/PhysRevB.60.292

来源: SCIE

【 摘 要 】

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].

【 授权许可】

Free