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. https://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.
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| Additional Information: | © 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. | |||||||||
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| Subject Keywords: | CHEMICAL REACTION KINETICS, MONTE CARLO METHOD, COMPUTERIZED SIMULATION, DOMAIN STRUCTURE, VACANCIES, LATTICE PARAMETERS, SQUARE LATTICES | |||||||||
| Issue or Number: | 5 | |||||||||
| Record Number: | CaltechAUTHORS:FULjcp88 | |||||||||
| Persistent URL: | https://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: | 03 Oct 2019 00:18 |
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