Molecular dynamics simulation of low-energy atomic hydrogen on tungsten surface

Zhongshi Yang; Qian Xu; Rongjie Hong; Qiang Li; Guang-Nan Luo

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Molecular dynamics simulation of low-energy atomic hydrogen on tungsten surface

机译：钨表面低能原子氢的分子动力学模拟

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摘要

The trapping and release of hydrogenic particles is a crucial issue in the application of tungsten (W) as plasma-facing materials (PFM) in current fusion devices. To study the interaction of low-energy atomic hydrogen with W surface, molecular dynamics (MD) simulations were performed adopting a bond-order interatomic potential. Energetic hydrogen atoms with a series of energies ranged from 0.5 eV to 50 eV were projected on the W (001) surface at normal incidence. The particle and energy reflection coefficients as well as mean range distribution as a function of incident energy have been discussed. Also calculated were the interstitial hydrogen formation energies and the migration energy. For an interstitial hydrogen atom in W, the most favorable configuration is in the tetrahedral position and the migration energy is obtained as about 0.30 eV, in agreement with experimental data.

机译：在当前的聚变设备中，钨（W）作为面向等离子体的材料（PFM）的应用中，氢粒子的捕获和释放是至关重要的问题。为了研究低能原子氢与W表面的相互作用，采用键序原子间电势进行了分子动力学（MD）模拟。一系列能量在0.5 eV至50 eV范围内的高能氢原子在法向入射时投射在W（001）表面上。讨论了粒子和能量反射系数以及平均范围分布作为入射能量的函数。还计算了间隙氢形成能和迁移能。对于W中的间隙氢原子，最有利的构型是在四面体位置，并且获得的迁移能约为0.30 eV，与实验数据一致。

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来源
《Fusion Engineering and Design》 |2010年第9期|p.1517-1520|共4页
作者
Zhongshi Yang; Qian Xu; Rongjie Hong; Qiang Li; Guang-Nan Luo;
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作者单位

Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126,350, Shushanhu Road, Hefei 230031, Anhui, China;

Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126,350, Shushanhu Road, Hefei 230031, Anhui, China;

Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126,350, Shushanhu Road, Hefei 230031, Anhui, China;

Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126,350, Shushanhu Road, Hefei 230031, Anhui, China;

Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126,350, Shushanhu Road, Hefei 230031, Anhui, China;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
中图分类
关键词
molecular dynamics; atomic hydrogen; tungsten; point defects;

机译：分子动力学原子氢钨点缺陷;

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1. Molecular dynamics studies of low-energy atomic hydrogen cumulative bombardment on tungsten surface [J] . Fu B. Q., Qiu M. J., Zhai L., Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms . 2019,第JULa1期

机译：钨表面低能原子氢累积轰击的分子动力学研究
2. Molecular dynamics studies of low-energy atomic hydrogen cumulative bombardment on tungsten surface [J] . Fu B. Q., Qiu M. J., Zhai L., Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms . 2019,第Jul1期

机译：低能原子氢累积轰击对钨表面的分子动力学研究
3. Retention/reflection of hydrogen and surface evolution during cumulative bombardment of low-energy hydrogen on tungsten: A molecular dynamics study [J] . Fu Baoqin, Wang Jun, Qiu Mingjie, Nuclear Instruments & Methods in Physics Research . 2020,第Jana1期

机译：低能氢在钨上的轰击过程中氢的保留/反射和表面析出：分子动力学研究
4. Molecular Dynamics Simulation of Low-energy Atomic Hydrogen on Tungsten Surface [C] . Mei Liu, rnPeisi Zhong, rnXiaojun Meng, Proceedings of the 9th China-Japan Symposium(CJS-9) on Materials for Advanced for Energy Systems and Fission amp; Fusion Engineering Jointed with CAS-JSPS Core-university Program Seminar on Fusion Materials, System and Design Integration . 2007

机译：钨表面低能原子氢的分子动力学模拟
5. Crystal orientation effects on implantation of low-energy hydrogen, helium and hydrogen/helium mixtures in plasma-facing tungsten surfaces. [D] . Linn, Brian C. 2014

机译：晶体取向对面向等离子体的钨表面中注入低能氢，氦和氢/氦混合物的影响。
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8. Molecular Dynamics Simulation of Beam Deposition of Low-Energy (10-100 eV) Si Atoms on the Si(111) Surface [R] . Dodson, B. W. , Taylor, P. A. 1987

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Molecular dynamics simulation of low-energy atomic hydrogen on tungsten surface

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