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Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two-dimensional domain ordering

Kang, H. C. and Weinberg, W. H. (1989) Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two-dimensional domain ordering. Journal of Chemical Physics, 90 (5). pp. 2824-2830. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:KANjcp89

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Abstract

A new model is presented and discussed that allows Monte Carlo simulations to be carried out with a proper energy barrier crossing. Results are presented for the surface diffusion coefficient and the growth exponent of domain ordering of a half-monolayer of adatoms experiencing nearest- and next-nearest-neighbor repulsive lateral interactions (equal in magnitude), both on a square lattice. The results are compared with those derived using both Kawasaki dynamics and a Metropolis walk. The reasons why neither of the latter methods can be expected, in general, to describe thermally excited, time-dependent phenomena are explained and discussed.


Item Type:Article
Additional Information:Copyright © 1989 American Institute of Physics. (Received 1 August 1988; accepted 18 November 1988) This research was supported by the National Science Foundation under Grant No. DMR-8500789.
Subject Keywords:MONTE CARLO METHOD; DIFFUSION; SURFACE PROPERTIES; ADATOMS; COMPUTERIZED SIMULATION
Record Number:CaltechAUTHORS:KANjcp89
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:KANjcp89
Alternative URL:http://dx.doi.org/10.1063/1.455932
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:8731
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:11 Sep 2007
Last Modified:26 Dec 2012 09:41

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