新团簇形成的动力学研究

Studies on the Dynamics of New Cluster Formation

利用紧束缚模型,通过对不同初始条件下的碱金属团簇的碰撞研究,得到形成大分子团簇的可能性.结果表明,对同一种团簇,具有空间对称性的团簇间的碰撞更易形成大团簇,而平面结构的团簇碰撞则反之,并且空间结构的团簇碰撞形成的新团簇复合体更加稳定.另一方面,团簇碰撞过程是可逆的.

Using the tight-binding molecular dynamics model (TBMD), Na cluster collision processes have been studied at the different initial conditions. It has been shown that clusters with different geometric structure colliding with same cluster can produce different new cluster. Cluster with solid structure is more feasible to form a stable and large cluster than that of planar structure. For the cluster collision, the collision process is reversible.