分子动力学模拟CH^+离子与聚变材料钨的相互作用  

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

作　　者：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] 

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2期127-134,共8页Nuclear Fusion and Plasma Physics

基　　金：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)

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。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.

关 键 词：电离分子动力学 聚变材料 沉积率 溅射率 钨晶格 

分 类 号：TL612[核科学技术—核技术及应用] TL617