Pathways of Maximum Likelihood for Rare Events in Nonequilibrium Systems: Application to Nucleation in the Presence of Shear
- 9 April 2008
- journal article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 100 (14), 140601
- https://doi.org/10.1103/physrevlett.100.140601
Abstract
Even in nonequilibrium systems, the mechanism of rare reactive events caused by small random noise is predictable because they occur with high probability via their maximum likelihood path (MLP). Here a geometric characterization of the MLP is given as the curve minimizing a certain functional under suitable constraints. A general purpose algorithm is also proposed to compute the MLP. This algorithm is applied to predict the pathway of transition in a bistable stochastic reaction-diffusion equation in the presence of a shear flow, and to analyze how the shear intensity influences the mechanism and rate of the transition.Keywords
This publication has 26 references indexed in Scilit:
- Equilibrium Free Energies from Nonequilibrium MetadynamicsPhysical Review Letters, 2006
- TRANSITIONPATHSAMPLING: Throwing Ropes Over Rough Mountain Passes, in the DarkAnnual Review of Physical Chemistry, 2002
- Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of StatesPhysical Review Letters, 2001
- Fluctuation theorem for stochastic dynamicsJournal of Physics A: General Physics, 1998
- Hyperdynamics: Accelerated Molecular Dynamics of Infrequent EventsPhysical Review Letters, 1997
- Nonequilibrium Equality for Free Energy DifferencesPhysical Review Letters, 1997
- Numerical Solution of Stochastic Differential EquationsPublished by Springer Science and Business Media LLC ,1992
- Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella samplingJournal of Computational Physics, 1977
- A general method for numerically simulating the stochastic time evolution of coupled chemical reactionsJournal of Computational Physics, 1976
- A new algorithm for Monte Carlo simulation of Ising spin systemsJournal of Computational Physics, 1975