几何构型不同的Na团簇碰撞动力学研究

采用距离相关紧密束缚的分子动力学模型,在不同碰撞能量以及不同的碰撞参数下,研究了两种构型的Na6(2D),Na6(3D)与Na8团簇间的碰撞.讨论了反应机制的变化,即全融合、深度非弹、非弹性碰撞过程.结果表明:构型不同的团簇与相同的靶碰撞显示了不同的特征.低能时Na6(3D)易融合;DIC反应时,易于形成大的团簇 关键词： Na团簇 原子团簇碰撞 紧束缚模型

Oh the collision dynamics of Na cluster with different geometry

Using the distance dependent tight binding molecular dynamics model (DDTB MD), the Na 6 (2 D )+Na 8,Na 6(3 D )+Na 8 collision dynamic processes have been studied for different incident energies and different impact parameters.Different reaction mechanisms have been observed, such as fusion reaction, deep inelastic and quasi elastic collisions, which are similar to the nuclear heavy ion collisions. This shows that the clusters with different geometric structures colliding with identical clusters can produce different new clusters. At lower incident energy central collisions, Na 6(3 D ) can form a stable cluster;at leV/ n half central collision, Na 6(3 D ) is easy to form a larger cluster.