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Computational study on interatomic potentials to dynamic effects in rainbow scattering under axial channeling at Al(001) surface

机译:Al(001)表面轴向窜动下原子散射对彩虹散射动力学影响的势能计算研究

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The interatomic potentials between projectiles and target atoms have a strong influence on the rainbow angles corresponding to pronounced peaks in the angular distributions of scattered projectiles with slight angle, attributed to rainbow scattering (RS), under axial surface channeling conditions. Schuller and Winter (SW) (2009) have measured the dependence of rainbow angles on normal energies to the target surface of projectile energy in RS of reactive N atomic projectile under 10 0 axial channeling conditions at a AI(0 0 1) metal surface with projectile energies of 10-70 keV. The SW's data were analyzed by computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. The agreement between the ACOCT results using the ZBL pair potential with only a repulsive part and the experimental ones was found in RS for projectile energy of 70 keV. The experimental results included the dynamic effects indicating that rainbow angles increase with decreasing projectile energies at low normal energies were roughly reproduced by the ACOCT simulations for the HF-like pair potentials with an attractive part depending on projectile energies.
机译:弹丸与目标原子之间的原子间电势对彩虹角具有强烈影响,该彩虹角对应于轴向表面通道条件下具有微小角度的散射弹丸的角度分布中的明显峰值,这归因于彩虹散射(RS)。 Schuller和Winter(SW)(2009)测量了AI(0 0 1)金属在<10 0>轴向窜动条件下,活性N原子弹的RS中彩虹角对法向能量与射弹能量目标表面的依赖关系。表面的射弹能量为10-70 keV。 SW的数据通过ACOCT代码通过计算机模拟进行分析,该代码基于具有原子间对势的二元碰撞近似。在RS中,对于70 keV的射弹能量,使用仅具有排斥部分的ZBL对电位的ACOCT结果与实验结果之间的一致性。实验结果包括动力效应,表明在低法向能量下,彩虹角随弹丸能量的减少而增加,这是通过ACOCT模拟大致重现的,类似于HF的配对电位,其吸引力取决于弹丸能量。

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