클러스터-표면 충돌시 부착 확률과 에너지 교환에 대한 분자동력학 시물레이션

Energy Exchanges and Adhesion Probability of Lennard-Jones Cluster Colliding with a Weakly Attractive Static Surface

Classical molecular dynamics simulations (MDS) were conducted to simulate nano-sized cluster collisions with a weakly attractive static surface. Energy exchanges associated with the cluster collision and the adhesion probability are discussed. Routes of the energy exchanges and the kinetic energy loss are vastly altered in their mode according to the cluster incident velocity. In the elastic collision regime ($V_0$<0.1), most incident kinetic energy is recovered into the rebounding kinetic energy, but a little loss in the incident kinetic energy causes the cluster adhesion. Dissipated kinetic energy is converted into the rotational energy. In the weakly plastic collision regime (0.1<$V_0$<0.3), the transition from elastic to plastic collision occurs, and a large part of the released potential energy is converted into rebounding translational energy. For strongly plastic collisions ($V_0$>0.3), permanent cluster deformation occurs with extensive collapse of the lattice structure inducing a solid-to-solid phase transition; moreover, most of the cluster kinetic energy is converted into cluster potential and thermal energy.