氢原子在第一壁材料铍表面散射行为的分子动力学模拟  

Scattering H atoms on first wall material Be by molecular dynamics simulation

作　　者：田树平[1] 曹小岗[1] 张静全[2] 潘宇东[3] 苟富均[1] 

机构地区：[1]四川大学原子核科学技术研究所,成都610064 [2]四川大学材料科学与工程学院,成都610064 [3]核工业西南物理研究院,成都610041

出　　处：《核聚变与等离子体物理》2013年第3期219-225,共7页Nuclear Fusion and Plasma Physics

基　　金：国际热核聚变实验堆(ITER)计划专项(2013GB114003);科技部863基金项目(2011AA050515)资助课题;自然科学基金(11275135)

摘　　要：采用分子动力学方法模拟了H原子在Be表面的散射。模拟结果表明,在入射能量为1、3、5、7和9eV时,H原子散射率随着入射角度的增加而增大。在垂直入射角度时,散射率随着入射能量增加而线性减小。入射能量为1eV时,所有氢原子为接触Be表面就发生散射;当入射能量为5eV时,垂直入射及45°入射的氢原子中大约14.7%粒子注入到表面以下,而85入射的氢原子则全部发生散射;当入射能量为9eV时,35.8%的氢原子在表面向下1、2层原子间发生散射,且能量越大,入射的深度越深。此外,还分析了散射氢原子密度分布和平均能量分布随散射角的变化关系。The scattering behaviour of H atoms on Be surface by molecular dynamics simulations was reported in this paper. When the incident energy increases from 1 to 9eV, the outcome shows the H atoms scattering rate decrease with incident energy increasing, and increase with incident angle increasing. When incident energy is leV, all of incident H atoms scatter above the Be surface. When incident energy are 5 and 9eV, 14.7% and 35.8% of H atoms inject into the Be sample and then scatter, respectively, and incident depths increase with energy increasing. Scattering density and energy as function of scattering angle were also discussed.

关 键 词：分子动力学 BE 散射率 散射角 

分 类 号：TL627[核科学技术—核技术及应用]