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Molecular dynamics investigation of the configuration and shape of helium clusters in tungsten
Nuclear Fusion ( IF 3.5 ) Pub Date : 2020-09-29 , DOI: 10.1088/1741-4326/abb147
Jinlong Wang 1 , Zhichao Guo 1 , Wenqiang Dang 2 , Daping Liu 1
Affiliation  

The stable configuration and shape of a helium cluster in tungsten are investigated with the molecular dynamics method. It is found that the configuration of the helium cluster tends to form a near-spherical polyhedron. At a high temperature, the He n cluster for n ##IMG## [http://ej.iop.org/images/0029-5515/60/12/126015/nfabb147ieqn1.gif] {$<$} 100 has enough time to evolve into a spherical structure even after coalescing between two helium clusters, while the large helium cluster could retain a rod-like or other shape for a long time. The formation mechanism of fuzz on tungsten surfaces is still unclear. Whether the shape of helium clusters is reasonable in simulations may have a significant effect on the formation of fuzz. Our results provide important references for Monte Carlo simulations.

中文翻译:

钨中氦簇的构型和形状的分子动力学研究

用分子动力学方法研究了钨中氦团簇的稳定构型和形状。发现氦团簇的构型倾向于形成近球形的多面体。在高温下,n ## IMG ## [http://ej.iop.org/images/0029-5515/60/12/126015/nfabb147ieqn1.gif] {$ <$}的He n簇具有即使在两个氦团簇之间聚结后,也有足够的时间演化为球形结构,而大型氦团簇可以长时间保持棒状或其他形状。钨表面绒毛的形成机理仍不清楚。在模拟中氦团簇的形状是否合理可能会对绒毛的形成产生重大影响。我们的结果为蒙特卡洛模拟提供了重要参考。
更新日期:2020-09-30
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