On a global minimum of potential energy in molecular statics: An example of a 2D Lennard-Jones crystal

Computational Materials Science

Volumn 42, Issue 3, 2008, Pages 478-482

  Vinogradov, Oleg ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

Convergence accuracy; Crystal; Molecular statics; Numerical hysteresis

Indexed keywords

CRYSTALS; DEFORMATION; DISLOCATIONS (CRYSTALS); GLOBAL OPTIMIZATION; HYSTERESIS; NUMERICAL METHODS; STRESS-STRAIN CURVES;

CONVERGENCE ACCURACY; INTERATOMIC FORCES; MOLECULAR STATICS; NUMERICAL HYSTERESIS;

POTENTIAL ENERGY;

EID: 42049089545     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.08.019     Document Type: Article

References (4)

1. Wales D.J., and Scheraga H.A. Science 285 5432 (1999) 1368-1373
2. Leach A.R. Molecular Modelling: Principles and Applications (2001), Prentice Hall
3. Vinogradov O. Int. J. Comp. Methods 3 2 (2006) 153-161
4. Vinogradov O. Comp. Mater. Sci. 39 3 (2007) 611-615