Abstract
We present crystalline structures for 60-, 256-, and 320-atom supercells of binary Lennard-Jones solids. These structures, based on cubic close packing, are much lower in energy than the disordered structures usually considered for this model glass former. We present a disconnectivity graph for a database of minima and transition states for the 320-atom system, which has been simplified using a grouping technique based on the canonical rate constants.
- Received 30 March 2001
DOI:https://doi.org/10.1103/PhysRevB.64.184201
©2001 American Physical Society
