Bulk and surface nucleation of the order-disorder transition in
Chaok Seok; David W Oxtoby; Chaok Seok; Department of Chemistry and James Franck Institute, The University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637, USA; David W Oxtoby; Department of Chemistry and James Franck Institute, The University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637, USA
Журнал:
Journal of Physics: Condensed Matter
Дата:
1998-01-12
Аннотация:
Bulk and surface nucleation of the order-disorder transition in have been studied using a lattice version of density functional theory. The surface transitions at three different surfaces, (001), (011), and (111), are discussed. The surface-induced disorder transition does not occur at the (001) surface even when the surface transition is continuous and the bulk is discontinuous if only nearest-neighbour interactions are included. The results for the nucleation rates are compared with experiment.
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