Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 182, Issue 1, Pages 11-13Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cpc.2010.07.034
Keywords
Nanomorphology; Thermodynamics; Shape; Modelling
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Computational modeling of realistic nanostructures requires the description of polyhedral (rather than spherical) structures in order to investigate a range of anisotropic phenomena Presented here is a simple thermodynamic model for exploring the relative stability of faceted nanocrystals, and the set of equations needed to model common shapes in the isometric crystal system Crown Copyright (C) 2010 Published by Elsevier BV All rights reserved
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