Süle P
Research Institute for Technical Physics and Materials Science, Konkoly Thege u. 29-33, 1125 Budapest, Hungary.
J Chem Phys. 2008 Aug 28;129(8):084707. doi: 10.1063/1.2969082.
We explore the occurrence of low-energy and low-temperature transient cluster burrowing leading to intact cluster inclusions. In particular, the anomalously fast (ballistic) Pt nanocluster implantation into Al and Ti substrates has been found by molecular dynamics simulations using a tight-binding many-body potential with a 1-10 eVatom low impact energy. A similar behavior has also been found for many other cluster/substrate couples such as CuAl, NiTi, and CoTi. At this few eV/atom low impact energy regime, instead of the expected stopping at the surface we find the propagation of the cluster through a thin Al slab as thick as approximately 50 A with a nearly constant speed ( proportional, variant1 eVatom). Hence the cluster moves far beyond the range of the impact energy, which suggests that the mechanism of cluster burrowing cannot be explained simply by collisional cascade effects. In the couples with reversed succession (e.g., TiPt, AlPt) no burrowing has been found; the clusters remain on the surface (the asymmetry of burrowing). We argue that cluster penetration occurs at a few eV/atom impact energy when the cluster/substrate interaction is size mismatched and mass anisotropic atomically.
我们探究了导致完整团簇包体的低能量和低温瞬态团簇钻蚀现象的发生情况。具体而言,通过使用具有1 - 10eV/原子低碰撞能量的紧束缚多体势进行分子动力学模拟,发现了铂纳米团簇以异常快速(弹道式)的方式注入铝和钛衬底的情况。对于许多其他团簇/衬底组合,如铜铝、镍钛和钴钛,也发现了类似的行为。在这种几eV/原子的低碰撞能量 regime下,我们发现团簇并非如预期那样在表面停止,而是以近似恒定的速度(与1eV/原子成正比,variant1)穿过厚度约为50埃的薄铝板。因此,团簇移动的距离远远超出了碰撞能量的范围,这表明团簇钻蚀的机制不能简单地用碰撞级联效应来解释。在顺序相反的组合(例如钛铂、铝铂)中未发现钻蚀现象;团簇停留在表面(钻蚀的不对称性)。我们认为,当团簇/衬底相互作用在原子尺度上存在尺寸不匹配和质量各向异性时,团簇穿透会在几eV/原子的碰撞能量下发生。