氢原子在第一壁材料铍表面散射行为的分子动力学模拟

核聚变与等离子体物理 ›› 2013, Vol. 33 ›› Issue (3): 219-225.

氢原子在第一壁材料铍表面散射行为的分子动力学模拟

田树平1，曹小岗1，张静全2，潘宇东3，苟富均1

(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)

收稿日期:2012-12-03 修回日期:2013-04-15 出版日期:2013-09-15 发布日期:2013-09-13
作者简介:田树平(1984-)，男，四川冕宁人，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(2013GB114003)；科技部863基金项目(2011AA050515)资助课题；自然科学基金(11275135)

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

TIAN Shu-ping1, CAO Xiao-gang1, ZHANG Jing-quan2, PAN Yu-dong3, GOU Fu-jun1

(1. Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064; 2. College of Materials Science and Engineering, Sichuan University, Chengdu 610064; 3. Southwestern Institute of Physical, Chengdu 610041)

Received:2012-12-03 Revised:2013-04-15 Online:2013-09-15 Published:2013-09-13

摘要/Abstract

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。

关键词: 分子动力学, Be, 散射率, 散射角

Abstract:

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 1eV, 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.

Key words: Molecular Dynamics, Be, Scattering rate, Scattering angle

中图分类号:

TL62+7

田树平1，曹小岗1，张静全2，潘宇东3，苟富均1. 氢原子在第一壁材料铍表面散射行为的分子动力学模拟[J]. 核聚变与等离子体物理, 2013, 33(3): 219-225.

TIAN Shu-ping, CAO Xiao-gang, ZHANG Jing-quan, PAN Yu-dong, GOU Fu-jun. Scattering H atoms on first wall material Be by molecular dynamics simulation[J]. NUCLEAR FUSION AND PLASMA PHYSICS, 2013, 33(3): 219-225.

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