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本文使用分子动力学方法模拟低能CH与碳氢薄膜的相互作用,以探讨在核聚变过程中CH的再沉积行为及对面向等离子体材料性质变化的影响。选择的入射能量分别为0.3,1,5,10 eV。模拟结果表明随着入射能量的增加C原子与H原子的吸附率增加,且在入射能量大于CH离解能的情况下,同一能量下H原子的吸附率小于C原子的吸附率。随着入射能量的增加,薄膜的厚度增加,薄膜中含有Csp2的范围变宽,并且表面逐渐转变为Csp2表面。薄膜中的C主要以Csp3形式存在,其次是Csp2,几乎不含Csp1。通过统计薄膜中的CHx(x为1~4)发现CH占优势,其次是CH2,而CH4的量非常少。
In this paper, the molecular dynamics simulation of the interaction between low-energy CH and hydrocarbon thin films was carried out to investigate the effect of CH redeposition on the behavior of plasma-oriented materials during the fusion process. The selected incident energies are 0.3, 1, 5 and 10 eV, respectively. The simulation results show that the adsorption rate of C atoms and H atoms increases with the increase of incident energy, and the adsorption rate of H atoms under the same energy is smaller than that of C atoms when the incident energy is greater than CH dissociation energy. As the incident energy increases, the thickness of the film increases, the range of Csp2 in the film increases, and the surface gradually changes to the Csp2 surface. The C in the membrane mainly exists in the form of Csp3, followed by Csp2, almost without Csp1. By accounting for CHx in the film (x is 1 to 4), it is found that CH is dominant, followed by CH2, while the amount of CH4 is very small.