金团簇碰撞并合过程的分子动力学模拟研究

采用微正则系综理论和嵌入原子模型计算了原子数为16-152之间7个Aun团簇碰撞合并过程。结果表明：碰撞能量大于0.3eV时，团簇处于熔融态，碰撞能量是合并过程的主导因素，碰撞能量小于0.3eV时，团簇处于凝固态，碰撞能量和结合能共同影响合并过程；碰撞能量小于0.1eV时，在结合能作用下，团簇结构随碰撞能量增加发生变化，其中壳层结构势能较低，稳定性较好。

Molecular-Dynamics Simulation Study on the Rearrangement Collisions between Au Clusters

This paper studies the collision processes of Au16-Au152 clusters with the embedded atom method and microcanonical molecular dynamics, where temperature and potential energy are employed to describe the structure variation of clusters. The results show that clusters is melting and kinetic energy of collision is primary effect when atom with kinetic energy more than 0.3eV. Otherwise clusters is solidification, and kinetic energy of collision binding energy have effect in coalescent process. When the coalescent of clusters is fringe with lesser collision energy and full with more collision energy the shell structure is steadier with lesser potential energy.