Molecular Dynamics Simulation Model of Hydrogen Recycling on Carbon Divertor for Neutral Transport Analysis in LHD
Molecular Dynamics Simulation Model of Hydrogen Recycling on Carbon Divertor for Neutral Transport Analysis in LHD
复制标题
用于 LHD 中性输运分析的碳转移器氢气回收的分子动力学模拟模型
DOI：
10.1002/ctpp.201900152
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发表时间：
2020
期刊：
影响因子：
--
通讯作者：
M. Hasuo
中科院分区：
文献类型：
--
作者：
S. Saito;H. Nakamura;K. Sawada;G. Kawamura;M. Kobayashi;M. Hasuo
在进行分子辅助复合等氢分子参与反应的中性输运模拟时，作为计算的边界条件，需要计算壁面上的中性粒子的能量分布、形态（原子或分子）等参数。因此，为了向中性输运程序提供偏滤器上再循环氢的信息，进行了氢原子注入碳材料的分子动力学模拟，以获得发射的氢原子和分子的发射角和平移能量的分布。在分子氢发射的情况下，转动能和振动能的分布也进行了研究。此外，量子转动态J和振动态V由模拟得到的经典值估计。
To perform the neutral‐transport simulation with processes in which hydrogen molecules contribute to the reaction such as molecular assisted recombination, the parameters of emitted neutral particles at the wall such as the energy distributions and the form (atom or molecule) of emitted neutral particles are necessary as a boundary condition of the calculation. Therefore, in order to provide information of recycled hydrogen on the divertor to neutral‐transport code, molecular dynamics simulation of a hydrogen atom injection into a carbon material is performed to obtain the distributions of emission angle and translational energy of emitted hydrogen atoms and molecules. The distributions of rotational and vibrational energies are also investigated in the case of molecular hydrogen emission. Moreover, the quantum rotational stateJ, and vibrational statevare estimated from the classical value obtained by the simulation.