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An effect of antiphase boundaries on the kinetics of short-range ordering by a vacancy mechanism

Fultz, B. (1988) An effect of antiphase boundaries on the kinetics of short-range ordering by a vacancy mechanism. Journal of Chemical Physics, 88 (5). pp. 3227-3229. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:FULjcp88

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Abstract

In Monte Carlo simulations of chemical short-range ordering on a square lattice, the number of single-atom domains was found to depend on the presence of antiphase boundaries and on the mechanism by which ordering occurred. When antiphase boundaries were present and the ordering occurred by a vacancy mechanism, the number of single-atom domains was found to increase with decreasing temperature, in contrast to thermodynamic predictions. This is understood as a consequence of highly correlated vacancy motions in those regions of the lattice away from antiphase boundaries.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.453917DOIUNSPECIFIED
http://link.aip.org/link/?JCPSA6/88/3227/1PublisherUNSPECIFIED
Additional Information:Copyright © 1988 American Institute of Physics. Received 26 May 1987; accepted 17 November 1987. The assistance of L. Anthony during part of this work is gratefully acknowledged. This work was supported by the U.S. Department of Energy under Contract DE-FG03-86ER45270.
Funders:
Funding AgencyGrant Number
Department of EnergyDE-FG03-86ER45270
Subject Keywords:CHEMICAL REACTION KINETICS, MONTE CARLO METHOD, COMPUTERIZED SIMULATION, DOMAIN STRUCTURE, VACANCIES, LATTICE PARAMETERS, SQUARE LATTICES
Record Number:CaltechAUTHORS:FULjcp88
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:FULjcp88
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:11378
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:11 Aug 2008 15:46
Last Modified:26 Dec 2012 10:13

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