Global minimum structures and structural phase diagrams of modified Morse clusters: 11 ≤ N ≤ 30.
Global minimum structures and structural phase diagrams of modified Morse clusters: 11 ≤ N ≤ 30.
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DOI：
10.1063/1.3582790
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发表时间：
2011-05
期刊：
影响因子：
--
通讯作者：
Jing Wu;Longjiu Cheng
中科院分区：
文献类型：
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作者：
Jing Wu;Longjiu Cheng
粒子间的相互作用决定了团簇的能量优势结构。利用修正的莫尔斯对势，系统地研究了相互作用如何决定团簇的全局最小结构，并给出了11 ≤ N ≤ 30范围内的团簇在0 K时的结构相图.与莫尔斯势相比，我们发现了许多新的结构，其中有些是我们未曾预料到的。修正的莫尔斯簇的全局最小结构可以作为结构库，这将有助于某些真实的簇的优化。
The energetically favored structures of clusters are determined by the interactions among particles. Using the modified Morse pair potential, which has two parameters that can freely control the interactions at the minimum, short range, and long range, we systematically investigated how the interactions determines the global minimum structures of clusters and gave the structural phase diagram at 0 K for each cluster size at the range 11 ≤ N ≤ 30. Compared to the Morse potential, a number of new structures are found, and some of them are unexpected. The global minimum structures of modified Morse clusters can act as structural bank, which will be helpful in the optimization of certain real clusters.