2004/02/29 by Gloria M. Buendia, Gloria M. Buendı́a, Per Arne Rikvold +2 · 1 citation
Physics and Astronomy · #Opinion Dynamics and Social Influence #Statistical Mechanics and Entropy #Theoretical and Computational Physics #cond-mat.mtrl-sci #cond-mat.stat-mech
paper · pdf · doi:10.1063/1.1772358
published as J. Chem. Phys. 121, 4193-4202 (2004). · 14 pages RevTex, 6 embedded figures. Minor revisions. J. Chem. Phys., in press
arxiv created 2004/05/23 · openalex publication_date 2004/08/18 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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.