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Development of a Genetic Algorithm Based Interatomic Potential and Application in Thermal Conductivity Study of ThO2 Grain Boundaries

Shihui Ning, Hongjian Chen,Dingwang Yuan,Wangyu Hu,Bowen Huang

JOURNAL OF NUCLEAR MATERIALS(2024)

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关键词
Genetic algorithm,Kapitza conductance,Grain boundary,Molecular dynamics,Interatomic potential
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