用多体势模拟金原子簇与金薄膜的相互作用(Ⅰ)──金原子簇轰击引起的表面损伤

发展了一种描述金原子间相互作用的多体势，它是结合二体Ｍｏｌｉｅｒｅ势与半经验紧束缚势的一种混合势将该混合势应用于分子动力学模拟中，研究了金原子簇与金薄膜的碰撞动力学模拟了能量为３２５０ｅＶ／ｃｌｕｓｔｅｒ的金原子簇轰击金（１００）表面后，衬底表面原子尺度的损伤计算机模拟观察到金薄膜晶体结构的改变及表面轰击坑的形成还讨论了原子簇轰击薄膜过程，簇原子与靶原子间集体相互作用的特征．

SIMULATIONS OF INTERACTIONS BETWEEN GOLD CLUSTERS AND GOLD THIN FILMS WITH A MANY-BODY POTENTIAL(Ⅰ)──SURFACE DAMAGES INDUCED BY GOLD CLUSTERS

A hybrid potential, which is the combination of the Molters with a semiempirical tight-binding potential has been developed in this paper. The collision dynamics between gold clusters and gold thin films has been simulated by means of molecular dynamics simulations. The hybrid potential is applied in the simulation. The clusters bombard on An(100) surfaces at the energy of 3250 eV per cluster. Radiation damages of the gold thin films at atomic scale have been studied. The changes of crystalline structures and the craters on the surface have been predicted. The collective nature of the interactions between clusters and thin films has been discussed.