Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals.
We report results of Monte Carlo simulations showing that the presence of vacancies does not affect the relative stability of stress-free fcc and hcp hard-sphere crystals.
Kwak
Sang Kyu
SK
Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, 14260-4200, USA.
Kofke
David A
DA
D003198:Computer Simulation; D004735:Energy Transfer; D008956:Models, Chemical; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D013816:Thermodynamics