聚变堆中碳原子在碳氢薄膜表面再沉积行为的分子动力学模拟研究

核聚变与等离子体物理 ›› 2010, Vol. 30 ›› Issue (4): 312-316.

聚变堆中碳原子在碳氢薄膜表面再沉积行为的分子动力学模拟研究

赵成利，孙伟中，刘华敏，张浚源，吕晓丹，秦尤敏，宁建平，贺平逆，潘宇东，苟富均

(1. 贵州大学等离子体与材料表面作用研究所，贵阳 550025；2. 贵州大学理学院，贵阳 550025； 3．四川大学原子核科学技术研究所，辐射物理及技术教育部重点实验室，成都 610064； 4. 核工业西南物理研究院，成都 610041；5. 荷兰皇家科学院等离子体所，荷兰 2300)

收稿日期:2010-05-18 修回日期:2010-09-18 出版日期:2010-12-15 发布日期:2011-01-26
作者简介:赵成利(1986-)，男，硕士研究生，研究方向为等离子体与材料表面相互作用。
基金资助:
国际热核聚变实验堆(ITER)计划专项资助项目(2009GB104006)；贵州省优秀青年科技人才培养计划资助项目(700968101)

Molecular dynamics simulation of carbon atoms redeposition on the hydrocarbon film in the fusion reactor

ZHAO Cheng-li, SUN Wei-zhong, LIU Hua-min, ZHANG Jun-yuan, Lü Xiao-dan, QIN You-min, NING Jian-ping, HE Ping-li, PAN Yu-dong, GOU Fu-jun

(1. Institute of Plasma Surface Interactions, Guizhou University, Guiyang 550025; 2. College of science, Guizhou University, Guiyang 550025; 3. Key Laboratory of Radiation Physics and Technology,Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064; 4. Southwestern Institute of Physics, Chengdu 610041; 5. FOM Institute for Plasma Physics, 3439 MN Nieuwegein, Netherlands)

Received:2010-05-18 Revised:2010-09-18 Online:2010-12-15 Published:2011-01-26

摘要/Abstract

摘要：

利用分子动力学方法模拟了碳原子与碳氢薄膜的作用过程。探讨了不同入射能量对碳原子与碳氢薄膜相互作用的影响。模拟结果表明碳原子与碳氢薄膜作用会在表面形成碳薄膜。随着入射能量的增加，碳薄膜厚度变薄。在碳薄膜中碳原子的成键形式主要为C_sp2-C_sp2和C_sp2-C_sp3，随入射能量的增加，碳原子键价结合形式从C_sp2-C_sp2向C_sp2-C_sp3转化。

关键词: 分子动力学, 碳氢薄膜, 再沉积, 碳薄膜

Abstract:

Molecular dynamics method was used to investigate the interactions of C continuously bombarding the hydrocarbon film surface. The Brenner potential was chosen. The simulation results show that the amorphous carbon-rich layer was formed on the hydrocarbon surface. The thickness of the carbon-rich layer decreases with increasing incident energy. In the formed layer, C atoms bond chiefly with C_sp2-C_sp2 and C_sp2-C_sp3. With increasing incident energy, the hybridization of C atoms converts from C_sp2-C_sp2 to C_sp2-C_sp3.

Key words: Molecular dynamics, Hydrocarbon films, Redeposition, Carbon-rich layer

中图分类号:

TL62+7

赵成利，孙伟中，刘华敏，张浚源，吕晓丹，秦尤敏，宁建平，贺平逆，潘宇东，苟富均. 聚变堆中碳原子在碳氢薄膜表面再沉积行为的分子动力学模拟研究[J]. 核聚变与等离子体物理, 2010, 30(4): 312-316.

ZHAO Cheng-li, SUN Wei-zhong, LIU Hua-min, ZHANG Jun-yuan, Lü Xiao-dan, QIN You-min, NING Jian-ping, HE Ping-ni, PAN Yu-dong, GOU Fu-jun. Molecular dynamics simulation of carbon atoms redeposition on the hydrocarbon film in the fusion reactor[J]. NUCLEAR FUSION AND PLASMA PHYSICS, 2010, 30(4): 312-316.

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