Lennard-Jones团簇在晶体表面沉积的模拟
Simulation of depositions of a Lennard-Jones cluster on a crystalline surface
摘要：
数值研究了非晶Lennard-Jones团簇在晶体表面上的沉积。从分子动力学模拟的结果，我们发现，沉积的集群表现出从多层吸附到单层吸附在临界入射速度的转变。利用能量守恒定律，我们可以解释吸附在衬底上的原子数与团簇尺寸之比的行为。沉积团簇的边界形状强烈地依赖于入射速度，并且在沉积团簇在衬底上扩展的过程中，一些不稳定的模式生长。我们还讨论了不同的Lennard-Jones原子之间的润湿性。
英文摘要：
Depositions of amorphous Lennard-Jones clusters on a crystalline surface are numerically investigated. From the results of the molecular dynamics simulation, we found that the deposited clusters exhibit a transition from multilayered adsorption to monolayered adsorption at a critical incident speed. Employing the energy conservation law, we can explain the behavior of the ratio of the number of atoms adsorbed on the substrate to the cluster size. The boundary shape of the deposited cluster depends strongly on the incident speed and some unstable modes grow during the spread of the deposited cluster on the substrate. We also discuss the wettability between different Lennard-Jones atoms.
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