分子动力学模拟CH+离子与聚变材料钨的相互作用

核聚变与等离子体物理 ›› 2013, Vol. 33 ›› Issue (2): 127-134.

分子动力学模拟CH⁺离子与聚变材料钨的相互作用

田树平1，曹小岗1，肖家浩1，张浚源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:2012-09-04 修回日期:2013-03-04 出版日期:2013-06-15 发布日期:2013-06-14
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)；科技部863 基金资助项目(2011AA050515)；自然科学基金支持资助课题(200010078)

Molecular dynamics simulation of interaction of ionized molecule CH⁺ with fusion materials-tungsten

TIAN Shu-ping1, CAO Xiao-gang1, XIAO Jia-hao1, ZHANG Jun-yuan1, ZHANG Jing-quan2,PAN Yu-dong 3, GOU Fu-jun1

(1. Institute of Nuclear Science and Technology, Key Lab of Radiation Physics & Technology Ministry of Education,Sichuan University, Chengdu 610064;2. College of Materials Science and Engineering, Sichuan University, Chengdu, 610064;3. Southwestern Institute of Physical Chengdu 610041)

Received:2012-09-04 Revised:2013-03-04 Online:2013-06-15 Published:2013-06-14

摘要/Abstract

摘要：

采用分子动力学方法模拟了不同能量的CH⁺离子与聚变材料钨的相互作用。模拟结果表明：在入射过程中，能量分别为50、100 和150eV 的入射粒子，在不同入射剂量下，碳、氢原子沉积率发生突变，相互作用过程中造成少量的钨原子发生溅射，但溅射率不超过0.24%。当入射剂量达3.92×10¹⁶cm⁻² 左右时，入射能量为 50eV 的离子轰击样品的表面形成一层不含钨原子的碳氢薄膜，其它能量下形成钨碳氢的混合薄膜；而碳、氢原子沉积率都随入射能量的增加先减小后增加，沉积率最小值分别出现在能量为250 和200eV 时；轰击后的样品中碳氢原子、C−H、C−C、W−C 键密度分布都在向样品内移动，且样品中碳原子主要以sp³ 杂化形式存在。

关键词: 电离分子动力学, 聚变材料, 沉积率, 溅射率, 钨晶格

Abstract:

The molecular dynamics simulation of interaction between CH⁺ with various energy and fusion material tungsten is conducted. The simulated results show that in the incident process, the sputtering rates of C and H atoms change suddenly at the different exposure doses when the incident energy is 50, 100 and 150eV respectively, a few of W atoms are sputtered in the interaction process, but the sputtering rate is less than 0.24%. When the exposure dose is about 3.92×10¹⁶cm⁻², the incident energy is 50eV, a hydrocarbon firm without W atom is formed on the sample surface bombarded by the ions. A mixed film of W, C and H is formed at the other energy. The deposited rates of C and H atom first decrease then increase with the incident energy increament, the minimum deposited rats appear at 250 and 200eV respectively. The density profiles of C, H atoms, C−H, C−C, W−C bonds in the sample after bombardment move towards the inside of sample, and the C sp³ dominated the sample.

Key words: Molecular dynamics, Fusion materials, Deposited rate, Sputtering rate, W lattices

中图分类号:

田树平1，曹小岗1，肖家浩1，张浚源1，张静全2，潘宇东3，苟富均1. 分子动力学模拟CH⁺离子与聚变材料钨的相互作用[J]. 核聚变与等离子体物理, 2013, 33(2): 127-134.

TIAN Shu-ping,CAO Xiao-gang,XIAO Jia-hao,ZHANG Jun-yuan,ZHANG Jing-quan,PAN Yu-dong,GOU Fu-jun. Molecular dynamics simulation of interaction of ionized molecule CH⁺ with fusion materials-tungsten[J]. NUCLEAR FUSION AND PLASMA PHYSICS, 2013, 33(2): 127-134.

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