Stable growth of fcc phase achieved in simulations of defected Lennard-Jones clusters
Artykuł w czasopiśmie
| Status: | |
| Autorzy: | Polak Wiesław |
| Rok wydania: | 2007 |
| Wersja dokumentu: | Drukowana | Elektroniczna |
| Język: | angielski |
| Numer czasopisma: | 2 |
| Wolumen/Tom: | 78 |
| Numer artykułu: | 26003 |
| Web of Science® Times Cited: | 2 |
| Scopus® Cytowania: | 2 |
| Bazy: | Web of Science | Scopus |
| Efekt badań statutowych | NIE |
| Materiał konferencyjny: | NIE |
| Publikacja OA: | NIE |
| Abstrakty: | angielski |
| Monte Carlo simulations of growth of defected fcc Lennard-Jones clusters with internal structure proposed by van de Waal were realised from N = 3281 up to 10000 atoms at two reduced temperatures, T* = 0.30 and 0.50. The preference for the growth of fcc phase is observed solely at the temperature T* = 0.50 in accordance with theoretical predictions. However, about one-half of the clusters larger than N = 6000 forms some spurious hcp layers. The stable growth of the fcc phase is attributed to kinetic (movement of surface atoms and presence of nonvanishing surface steps) as well as entropic effects preferring fcc over hcp stacking of growth layers. Copyright (C) EPLA, 2007. |
