钠原子团簇的碰撞动力学

采用紧密结合的分子动力学模型，对第一个满壳附近（ｎ＝８）钠原子团簇碰撞Ｎａｎ＋Ｎａｎ的动力学性质进行了系统性研究。对有限温度下的多次模拟事件，在各种碰撞参数与不同轰击能量时，双团簇（Ｎａｎ）２的稳定性进行了研究。并发现，当质心系单原子能量为０．０２５ｅＶ时，对中心碰撞，（Ｎａ８）２能够存在３０００ｆｓ，而对周边碰撞，（Ｎａ８）２能够存在１００００ｆｓ；不管对中心碰撞还是对周边碰撞，在较低的轰击能量下，这种暂态双团簇结构具有较长的寿命；在相同的单原子轰击能量和相同的碰撞参数，（Ｎａ８）２和（Ｎａ９）２的动力学寿命没有差别，只是（Ｎａ８）２比（Ｎａ９）２的温度更低。Based on the Tight-binding molecular dynamics simulations, the Na n+Na n collision dynamics around the first closed shell ( n=8) is systematically studied. The stability of sodium cluster dimers (Na n) 2 is investigated for many events with random relative orientation at finite temperature, various impact parameters and incident energies. We find that (Na 8) 2 can exist during about 3000 fs in central collisions while they can exist up to about ten thousands fs in peripheral collisions with larger ..