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引用本文: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.?????????????????????????????????????????о?[J].核聚变与等离子体物理,2010,30(4):312-316.
作者姓名: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
作者单位:(1. ???????????????????????????о????????? 550025??2. ???????????????? 550025?? 3???????????????????о???????????????????????????????????? 610064?? 4. ?????????????о??????? 610041??5. ?????????????????????????? 2300)
基金项目:国际热核聚变实验堆(ITER)计划专项资助项目,贵州省优秀青年科技人才培养计划资助项目
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Csp2-Csp2和Csp2-Csp3,随入射能量的增加,碳原子键价结合形式从Csp2-Csp2向Csp2-Csp3转化。

关 键 词:分子动力学  碳氢薄膜  再沉积  碳薄膜
收稿时间:2010-05-18
修稿时间:2010-09-18

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,L Xiao-dan,QIN You-min,NING Jian-ping,HE Ping-li,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.
Authors:ZHAO Cheng-li  SUN Wei-zhong  LIU Hua-min  ZHANG Jun-yuan  L Xiao-dan  QIN You-min  NING Jian-ping  HE Ping-li  PAN Yu-dong  GOU Fu-jun
Institution:(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)
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 Csp2-Csp2 and Csp2-Csp3. With increasing incident energy, the hybridization of C atoms converts from Csp2-Csp2 to Csp2-Csp3.
Keywords:Molecular dynamics  Hydrocarbon films  Redeposition  Carbon-rich layer
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