掠入射下原子射弹与晶体表面相互作用的计算机模拟
Interaction Between Atomic Projectiles and a Crystal Surface at Grazing Incidence: Computer Simulation
摘要：
本文用计算机模拟方法研究了加速原子射弹掠入射晶体表面时的角分布特征。用电子密度泛函方法计算了弹丸与晶格原子的相互作用和晶体表面的原子结构。通过考虑散射粒子与晶格中几个原子层的相互作用和原子的热位移，模拟了散射粒子的角分布。计算结果与已知的实验数据之间取得了良好的一致性。从氮原子掠入射铝晶体表面时的彩虹散射角与被加速的原子粒子的总动能之间的关系出发，给出了重建离子-原子动力学相互作用势的可能性。
英文摘要：
Features of the angular distributions of accelerated atomic projectiles at grazing angles of incidence on the crystal surface are studied by using the computer simulation. The interaction between the projectiles and the crystal-lattice atoms and atomic structure of the crystal surface are calculated by means of the electron density functional method. The angular distributions of scattered projectiles are simulated by taking into account their interaction with several atomic layers in the crystal lattice and atomic thermal displacements. Good agreement between the calculated results and known experimental data is achieved. A possibility of reconstructing the ion-atom dynamic interaction potential from the dependence of the rainbow scattering angle of nitrogen atoms under conditions of grazing incidence on the surface of an aluminum crystal on the total kinetic energy of the accelerated atomic particles is shown.
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