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MD simulation on the interactions between CH_2 groups and the(001) surface of tungsten
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作者 Xianfu Feng Shuping Tian +3 位作者 Xinkui He Fujun Gou Shuiquan Deng Yong Zhao 《Journal of Modern Transportation》 2014年第4期256-260,共5页
This work studies the angle dependence of the interactions between impinging CH2 particles of 150 eV with the tungsten surface. The simulations show that the carbon atoms are much more easily bonded to the tungsten at... This work studies the angle dependence of the interactions between impinging CH2 particles of 150 eV with the tungsten surface. The simulations show that the carbon atoms are much more easily bonded to the tungsten atoms than hydrogen atoms, though a few of the latter can also penetrate into the tungsten material. When the incidence angle is greater than 75%, the incident CH2 particles are reflected without break-ups. Below this angle, a W-C layer of about 0.5 nm is formed with another C, H-rich layer depositing on top of it. The molecular dynamics (MD) approach has proved to be a powerful tool to solve the structural problems at atomic length scale of various materials. Some of its possible applications to the railway track materials have also been discussed. 展开更多
关键词 Molecular dynamics First-wall material Tungsten - Plasma-material interaction
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