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

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

2004-02-20

arxiv.org/abs/cond-mat/0402537v2

J. Chem. Phys. 121, 4193-4202 (2004).

Physics

Condensed Matter

Statistical Mechanics

14 pages RevTex, 6 embedded figures. Minor revisions. J. Chem. Phys., in press

Scientific paper

10.1063/1.1772358

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.

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