Citation
Tf. Middleton et al., Crystals of binary Lennard-Jones solids - art. no. 184201, PHYS REV B, 6418(18), 2001, pp. 4201
Citations number
49
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829
→ ACNP
Volume
6418
Issue
18
Year of publication
2001
Database
ISI
SICI code
0163-1829(20011101)6418:18<4201:COBLS->2.0.ZU;2-A
Abstract
We present crystalline structures for 60-, 256-, and 320-atom supercells of
binary Lennard-Jones solids. These structures, based on cubic close packin
g, are much lower in energy than the disordered structures usually consider
ed for this model glass former. We present a disconnectivity graph for a da
tabase of minima and transition states for the 320-atom system, which has b
een simplified using a grouping technique based on the canonical rate const
ants.