Molecular Analysis toward the Taylor-Made Fabrication of Functional Carbon Film Using Cluster Deposition

本文对（CO_2）_n（n=1-20）团簇撞击不同形貌和密度的碳基表面进行了系统的高精度分子动力学模拟。根据模拟结果，可以根据目标密度、团簇大小以及撞击能量来正确评估撞击点周围的能量集中情况。假设溅射是由团簇碰撞引起的表面周围温度升高引起的热脱附引起的，对整个过程进行了热力学建模。

Systematic molecular dynamics simulations with high-accuracy have been carried out for the (CO_2)_n (n=1-20) cluster impact onto carbon based surfaces with different morphology and density. Based on the simulations, energy concentration around the impact point contributing to thermal energy could properly evaluated depending on the target density, cluster size as well as the impact energy. The whole process was thermodynamically modeled assuming that sputtering was induced by thermal desorption upon the temperature rise around the surface due to the cluster impact.