In magnetic field confinement plasma devices such as the International Thermonuclear Experimental Reactor (ITER), hydrogen atoms and molecules are emitted from plasma-facing materials by hydrogen recycling. The effect of the recycled hydrogen in edge plasma can be investigated by neutral transport analysis. In this paper, in order to obtain the boundary condition at the tungsten divertor for neutral transport simulation, a molecular dynamics simulation is performed to investigate the emission ratio of hydrogen atoms and molecules, the emission angle, the translational energy of emitted hydrogen atoms and molecules, and the vibrational and rotational energies of emitted hydrogen molecules. Moreover, from the simulation results, it is also found that the number of emitted hydrogen molecules increases as the ratio of the number of hydrogen and tungsten atoms (H/W) in the material increases, although the H/W dependence of the number of emitted hydrogen atoms is not significant in the range of our simulation, 0.49≤H/W≤1.37. The elementary process of the emission of hydrogen is also investigated by trajectory analysis. The analysis reveals that the hydrogen atom travels on the surface of the tungsten material and remains there for a while because it is trapped on the surface of the tungsten material.

在诸如国际热核实验反应堆（ITER）之类的磁场限制等离子体装置中，通过氢循环从面对等离子体的材料中释放出氢原子和分子。边缘等离子体中循环氢的影响可通过中性传输分析进行研究。为了获得用于中性迁移模拟的钨分流器的边界条件，进行了分子动力学模拟，研究了氢原子和分子的发射比，发射角，所发射的氢原子和分子的平移能。 ，以及发出的氢分子的振动和旋转能。而且，根据仿真结果 还发现，尽管材料中氢原子与钨原子数之比（H / W）的增加对H / W的依赖性并不显着，但随着材料中氢原子与钨原子数之比（H / W）的增加，氢原子的发射数也随之增加。我们的模拟范围是0.49≤H/W≤1.37。还通过轨迹分析研究了氢释放的基本过程。分析表明，氢原子在钨材料的表面上移动并保留了一段时间，因为氢原子被捕获在钨材料的表面上。