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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Trapping and release of hydrogenic particles is a crucial issue in application of plasma sprayed tungsten (PSW) as plasma-facing materials (PFM) in current fusion devices. To study the interaction between low-energy atomic hydrogen with tungsten surface, molecular dynamics (MD) simulation was performed adopting a bond-order interatomic potential for modeling nonequilibrium processes in the ternary W-C-H system. First, we used the simulated annealing method to get the tungsten cell. Next, energetic ions with a series energy ranging from 0.05ev to 10ev were projected on the simulated cell. By using MD simulation, the reflection coefficients of hydrogen on W surface were calculated. Also the range projected distribution of hydrogen with different incident energy on W surface was discussed.

机译：在当前的聚变设备中，等离子体喷涂钨（PSW）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钨表面之间的相互作用，采用键序原子间电势对三元W-C-H系统中的非平衡过程进行了分子动力学（MD）模拟。首先，我们使用模拟退火方法获得钨电池。接下来，将一系列能量从0.05ev到10ev的高能离子投射到模拟电池上。通过MD模拟，计算了氢在W表面的反射系数。还讨论了具有不同入射能量的氢在W表面的射程分布。

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《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年|254-257|共4页
会议地点 Guilin(CN);Guilin(CN)
作者
Mei Liu; rnPeisi Zhong; rnXiaojun Meng; rnDazhi Liu;
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Z. S. Yang@Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China--Y. M. Yang@State Key Lab of Mechanical Transmissions, Chongqing University, Chongqing 400044, China--G.-N. Luo@Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China--;

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正文语种 eng
中图分类核燃料及其生产;
关键词
molecular dynamics; atomic hydrogen; tungsten;

机译：分子动力学;原子氢;钨;

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Molecular Dynamics Simulation of Low-energy Atomic Hydrogen on Tungsten Surface

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