引用本文:
曾祥华, 徐秀莲, 王锋, 张丰收. 新团簇形成的动力学研究[J]. 物理化学学报,
2002, 18(01): 26-29.
doi:
10.3866/PKU.WHXB20020106
Citation: Zeng Xiang-Hua, Xu Xiu-Lian, Wang Feng, Zhang Feng-Shou. Studies on the Dynamics of New Cluster Formation[J]. Acta Physico-Chimica Sinica, 2002, 18(01): 26-29. doi: 10.3866/PKU.WHXB20020106
Citation: Zeng Xiang-Hua, Xu Xiu-Lian, Wang Feng, Zhang Feng-Shou. Studies on the Dynamics of New Cluster Formation[J]. Acta Physico-Chimica Sinica, 2002, 18(01): 26-29. doi: 10.3866/PKU.WHXB20020106
新团簇形成的动力学研究
摘要:
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.
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关键词:
- Na团簇;团簇碰撞;紧束缚模型
English
Studies on the Dynamics of New Cluster Formation
Abstract:
Using the tightbinding 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.
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