低能Pt原子与Pt(111)表面相互作用的分子动力学模拟

利用分子动力学模拟方法详细研究了低能Pt原子与Pt(111)表面的相互作用所导致的表面吸附原子、溅射原子、表面空位的产生及分布规律,给出了表面吸附原子产额、溅射原子产额和表面空位产额随入射Pt原子能量的变化关系.模拟结果显示:溅射产额、表面吸附原子产额和表面空位产额随入射原子的能量的增加而增加,溅射原子、表面吸附原子的分布花样呈3度旋转对称性质;当入射粒子能量高于溅射阈值时,表面吸附原子主要是基体最表面原子的贡献,入射粒子直接成为表面吸附原子的概率很小.其主要原因是:当入射粒子能量高于溅射能量阈值时,入射 关键词： 分子动力学 低能粒子 表面原子产额 空位缺陷 溅射

Investigation of low energy Pt atoms impacts on Pt(111) by molecular dynamics simulation

We have studied the influence of low energy Pt atom impacts on Pt(111) surface by molecular dynamics simulation.Interaction potential with embedded atom method(EAM) was used in the simulation.Adatom yields,sputtering yields,and vacancy yields at various incident energies were calculated.It was found that there is a sputtering threshold energy for the incident energy.When the incident energy is higher than the sputtering threshold,the sputtering yield,adatom yield,and vacancy yield increase with the increase of incident energy,and adatoms mainly come from the first layer of the substrate.The sputtering pattern and adatom distribution present 3 fold symmetry as well.The dependence of the adatom yield,vacancy yield and sputtering yield on the incident energy and the relative atomistic mechanisms are discussed.