Molecular dynamics studies of temperature effects on low energy helium bombardments on tungsten surfaces

Molecular dynamics studies of temperature effects on low energy helium bombardments on tungsten surfaces
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低能氦轰击钨表面温度效应的分子动力学研究

DOI:
10.1016/j.jnucmat.2012.01.008
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发表时间:
2012-04
影响因子:
3.1
通讯作者:
Qing Hou
Qing Hou
中科院分区:
工程技术2区
文献类型:
--
作者:
Min Li;Jun Wang;Qing Hou

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用分子动力学模拟方法研究了温度对低能(~lt;200 eV)氦轰击钨表面的影响。计算了氦原子在不同时刻的反射系数、能量分布和深度分布。在0.2ps之前,氦原子与靶原子的碰撞是氦原子反射的主要机制,在0.2ps之前,氦原子的热运动起主导作用。一个重要的温度效应是,升高温度可能会导致入射氦原子的快速减速。这一效应使得反射能量分布与没有考虑温度影响的预测结果有很大不同。此外,热移动到衬底表面的氦原子被阻止从表面逃逸,并且可能发生氦原子在表面附近的聚集。
MD simulations have been conducted to study the effect of temperature on low energy (<200eV) helium bombardments on tungsten surfaces. The reflection coefficients, energy distributions and depth distributions of helium atoms were calculated at various time points. Collisions between helium atoms and target atoms are found to be the main mechanism for the reflection of the helium atoms before 0.2ps, after which the thermal movement of the atoms is found to play the dominant role. An important temperature effect is that increasing temperature may induce a rapid slowing down of incident helium atoms. This effect makes the reflection energy distributions quite different from those that are predicted without accounting for temperature effects. Moreover, the helium atoms thermally moving to the substrate surface are found to be hindered to escape from the surface, and the accumulation of the helium atoms near the surface may occur.
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