CAJ | 학술논문

利用分子动力学方法研究了H原子与C/Be样品的相互作用过程，当H原子轰击C/Be样品时，发现有一些H原子渗入样品中并且滞留在样品中，H原子的滞留率随H原子的初始入射能量的升高呈线性增长，有些沉积在样品中H原子与C原子相互作用形成H-C键。溅射产物以H原子和H2分子为主。H和H2的产额率随初始入射能量的变化趋势相反，分析了不同机制下产物H和H2的产额率随初始入射能量的关系，且通过分析H原子的入射能量和样品的原子密度的关系来研究轰击后的样品，发现样品中原子分布变化很小，同时分析了化合物中的化学键分布变化较小，只是其化学键的分布峰向样品表面移动。
이용분자동역학방법연구료H원자여C/Be양품적상호작용과정，당H원자굉격C/Be양품시，발현유일사H원자삼입양품중병차체류재양품중，H원자적체류솔수H원자적초시입사능량적승고정선성증장，유사침적재양품중H원자여C원자상호작용형성H-C건。천사산물이H원자화H2분자위주。H화H2적산액솔수초시입사능량적변화추세상반，분석료불동궤제하산물H화H2적산액솔수초시입사능량적관계，차통과분석H원자적입사능량화양품적원자밀도적관계래연구굉격후적양품，발현양품중원자분포변화흔소，동시분석료화합물중적화학건분포변화교소，지시기화학건적분포봉향양품표면이동。
Molecular dynamics method was used to study H interaction with C/Be samples in this paper. It is found that with H atoms bombarding C/Be sample, some H atoms penetrate into the bulk and deposit in the samples. The rate of H retention increases linearly with increasing incident energy. H atoms deposited in the sample react with C atoms forming H-C bonds. The main sputtering product is H atoms and H2 molecules. With the initial incident energy increase, the trend about yield rate of H and H2 is opposite. The relationship between yield rate of H and H2 in different mechanisms and the initial incident energy is analyzed. The modified samples were studied by analyzing incident energy and atom density. The distribution of chemical bonds in the sample was examined. It is found that the change of the distribution of the atoms in the sample is small, the peak of the distribution of chemical bonds only moves to the surface of the sample.