Novel lattice-searching method for modeling the optimal strain-free close-packed isomers of clusters |
| |
Authors: | Cheng Longjiu Yang Jinlong |
| |
Institution: | Hefei National Laboratory for Physics Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui, 230026, People's Republic of China. |
| |
Abstract: | Small icosahedral, decahedral, and fcc structures have been studied by unbiased global optimization methods or Wulff construction and Northby lattice methods. Strain-free close-packed structures are not much discussed because the structures are very difficult to optimize and there is no common strain-free close-packed lattice. We propose a new strategy to construct such a lattice containing all possible strain-free close-packed isomers, and by searching the lattice with an efficient method the optimal close-packed structures were modeled. Testing with the Morse potential at rho0=14.0 for cluster size 10
|
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|