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采用分子动力学方法对低能(0.5—50.0 eV)氢粒子与钨表面的相互作用进行了模拟研究.研究发现,当氢粒子垂直入射,能量为0.5—20.0 eV时,粒子滞留在钨内部的概率急速增加,在整个模拟能量区间内,发生反射过程的概率逐渐减少,但反射过程始终占主导.改变粒子的入射角度,在某些能量范围内滞留概率虽有所增加,但氢原子被反射现象仍然占主导.通过进一步观察低能氢粒子在钨块内的入射深度和能量变化,计算出其在钨块中的能量沉积分布.这些结果对理解聚变反应中钨材料的选用优势以及氢或氢同位素滞留有重大意义.此外,在所研究的能量范围内,分子动力学方法的模拟结果与以二体理论为基础的TRIM程序的模拟结果之间有明显差异,说明传统的二体碰撞理论不能很好地描述低能碰撞问题.
Molecular dynamics simulation of the interaction between low-energy (0.5-50.0 eV) hydrogen particles and tungsten surface shows that the probability of the particles staying in the tungsten interior when the hydrogen particles are perpendicularly incident is 0.5-20.0 eV The probability of occurrence of the reflection process decreases gradually, but the reflection process always dominates in the whole simulation energy range.Altering the incident angle of the particles, although the probability of residence in some energy range increases, the hydrogen atoms are reflected Still dominant.The energy deposition distribution in tungsten block was calculated by further observing the incident depth and energy change of low-energy hydrogen particles in the tungsten block.These results are helpful to understand the selection advantage of tungsten material in fusion reaction and hydrogen or hydrogen isotope In addition, there is a significant difference between the simulation results of the molecular dynamics method and the simulation results of the TRIM program based on the two-body theory within the energy range studied, indicating that the traditional two-body collision theory can not be very effective Good description of low-energy collision problem.