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Low-temperature nucleation in a kinetic Ising model under different stochastic dynamics with local energy barriers

J. Chem. Phys. 121, 4193 (2004); doi:10.1063/1.1772358

Issue Date: 1 September 2004

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Gloria M. Buendía
Department of Physics, Universidad Simón Bolívar, Caracas 1080, Venezuela;
School of Computational Science and Information Technology, Center for Materials Research and Technology, and Department of Physics, Florida State University, Tallahassee, Florida 32306-4120; and
Department of Physics and Astronomy and ERC Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762-5167

Per Arne Rikvold
School of Computational Science and Information Technology, Center for Materials Research and Technology, and Department of Physics, Florida State University, Tallahassee, Florida 32306-4120

Kyungwha Park
Department of Physics, Georgetown University, Washington, DC 20057

M. A. Novotny
Department of Physics and Astronomy and ERC Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762-5167
Using both analytical and simulational methods, we study low-temperature nucleation rates in kinetic Ising lattice-gas models that evolve under two different Arrhenius dynamics that interpose between the Ising states a transition state representing a local energy barrier. The two dynamics are the transition-state approximation [T. Ala-Nissila, J. Kjoll, and S. C. Ying, Phys. Rev. B 46, 846 (1992)] and the one-step dynamic [H. C. Kang and W. H. Weinberg, J. Chem. Phys. 90, 2824 (1989)]. Even though they both obey detailed balance and are here applied to a situation that does not conserve the order parameter, we find significant differences between the nucleation rates observed with the two dynamics, and between them and the standard Glauber dynamic [R. J. Glauber, J. Math. Phys. 4, 294 (1963)], which does not contain transition states. Our results show that great care must be exercised when devising kinetic Monte Carlo transition rates for specific physical or chemical systems. ©2004 American Institute of Physics.
History: Received 23 February 2004; accepted 19 May 2004
Permalink: http://link.aip.org/link/?JCPSA6/121/4193/1
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KEYWORDS and PACS

Keywords
PACS
  • 64.60.Qb
    Nucleation in phase transitions
  • 05.50.+q
    Lattice theory and statistics including Ising, Potts models, etc
  • 05.40.-a
    Fluctuation phenomena, random processes, noise, and Brownian motion
  • YEAR: 2004

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ISSN:
0021-9606 (print)   1089-7690 (online)
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