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首页> 外文会议>Symposium on Atomistic Mechanisms in Beam Synthesis and Irradiation of Materials, held December 1-2, 1997, Boston, Massachusetts, U.S.A. >Molecular dynamics simulation of fullerene cluster ion impact
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Molecular dynamics simulation of fullerene cluster ion impact

机译：富勒烯簇离子碰撞的分子动力学模拟

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摘要

In order to interpret the projection range and to reveal the mechanism of damage formation by cluster ion impact, molecular dynamics simulations of a fullerene carbon cluster (C_(60)) impacting on diamond (001) surfaces were performed. When the kinetic energy of C_(60) is as low as 200 eV/atom, C_(60)implants into the substrate deeper than a monomer ion with the same energy per atom because of the clearing-way effect. THe kinetic energy of the cluster disperses isotropically because of the multiple-collision effect, and then a large hemispherical damage region is formed. When the energy of the cluster is as high as 2keV/atom, the cluster dissociates in the substrate, and then cascade damage is formed like in a case of a monomer ion impact. The projection range of incident atoms becomes similar to that of the monomer with the same energy per atom. However, the number of displacements of C_(60) is larger than the summation of 60 monomer carbons. The displacement yield of fullerene is 4 to 7 times higher than that of monomer carbon. This result agrees with the measurement of the displacements made on sapphire substrates with C_(6) and C_2 irradiation.
机译：为了解释投影范围并揭示簇离子碰撞形成损害的机理，对富勒烯碳簇（C_（60））撞击金刚石（001）表面进行了分子动力学模拟。当C_（60）的动能低至200 eV /原子时，由于清除效应，C_（60）会以比每个原子相同的能量注入比单体离子更深的基质。团簇的动能由于多重碰撞效应而各向同性地分散，从而形成大的半球形损伤区域。当团簇的能量高达2keV /原子时，团簇在衬底中解离，然后像单体离子碰撞的情况一样形成级联损伤。入射原子的投影范围变得与每个原子具有相同能量的单体的投影范围相似。但是，C_（60）的位移数大于60个单体碳的总和。富勒烯的置换产率比单体碳的置换产率高4至7倍。该结果与通过C_（6）和C_2辐照对蓝宝石衬底进行的位移测量结果一致。

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