Abstract Molecular Dynamics simulations have been conducted to highlight the influence of incidence angle on the H− (D−) production when a flux of H(D) atoms impacts on a cesiated surface. A new interaction potential for H atoms impinging the surface with incidence angle (θ) of 45° was determined via first principle electronic structure calculations including both the interaction with Cs and Mo atoms in the surface. The incident angle effect on the scattering probability appears most evidently for medium-high energies, being negligible for the low collisional energy regime. In particular, for θ= =45° and for medium-high energies the production of negative ions decreases in the case of H while increases for incident D atoms with respect to the normal incidence. The mass effect is also evident in the final angular distributions of reflected negative ions. The mechanism underlying the interaction and in particular the role of surface phonons is pointed out.

中文翻译：

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入射角对氢和氘原子与铯原子相互作用的影响

摘要 进行了分子动力学模拟，以强调当 H(D) 原子流冲击铯原子表面时入射角对 H- (D-) 产生的影响。H 原子以 45° 的入射角 (θ) 撞击表面的新相互作用势是通过第一原理电子结构计算确定的，包括与表面中的 Cs 和 Mo 原子的相互作用。对于中高能量，入射角对散射概率的影响最为明显，而对于低碰撞能量状态则可以忽略不计。特别是，对于 θ= = 45° 和中高能量，负离子的产生在 H 的情况下减少，而相对于法向入射的入射 D 原子增加。质量效应在反射负离子的最终角分布中也很明显。指出了相互作用的基本机制，特别是表面声子的作用。