Formation of regular polyicosahedral structure during growth of large Lennard-Jones clusters from their global minimum
Artykuł w czasopiśmie
MNiSW
25
Lista A
| Status: | |
| Autorzy: | Polak Wiesław |
| Rok wydania: | 2016 |
| Wersja dokumentu: | Drukowana | Elektroniczna |
| Język: | angielski |
| Wolumen/Tom: | 659 |
| Strony: | 263 - 269 |
| Impact Factor: | 1,815 |
| Web of Science® Times Cited: | 2 |
| Scopus® Cytowania: | 2 |
| Bazy: | Web of Science | Scopus | Web of Science Core Collection |
| Efekt badań statutowych | NIE |
| Materiał konferencyjny: | NIE |
| Publikacja OA: | NIE |
| Abstrakty: | angielski |
| Simulated growth of four global-minimum Lennard-Jones clusters of sizes N = 561, 823, 850 and 923, representing multishell icosahedra and decahedron, always leads to formation of regular polyicosahedral clusters. Observation of cluster structure evolution revealed that new atoms form anti-Mackay islands spreading over the cluster surface by making strong island-island junctions at cluster edges. Analysis of potential energies of atoms composing different local structures shows that energy-driven preference for decahedral arrangement of several atoms initiating the junction of pentagonal symmetry on the cluster surface is responsible for kinetic effect in the cluster growth |
