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

对(CO_2)_n(n=1-20)团簇与不同形貌和密度的碳基表面的碰撞进行了高精度的系统分子动力学模拟。在模拟的基础上，根据目标密度、团簇大小以及撞击能量，可以正确地评估撞击点附近对热能的贡献。整个过程被热力学模拟，假设溅射是由于团簇碰撞引起的表面温升的热脱附而引起的。

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.