Rare behavior of growth processes via umbrella sampling of trajectories

Klymko, Katherine; Geissler, Phillip L.; Garrahan, Juan P.; Whitelam, Stephen

Abstract

We compute probability distributions of trajectory observables for reversible and irreversible growth processes. These results reveal a correspondence between reversible and irreversible processes, at particular points in parameter space, in terms of their typical and atypical trajectories. Thus key features of growth processes can be insensitive to the precise form of the rate constants used to generate them, recalling the insensitivity to microscopic details of certain equilibrium behavior. We obtained these results using a sampling method, inspired by the “s-ensemble” large-deviation formalism, that amounts to umbrella sampling in trajectory space. The method is a simple variant of existing approaches, and applies to ensembles of trajectories controlled by the total number of events. It can be used to determine large-deviation rate functions for trajectory observables in or out of equilibrium.

Citation

Klymko, K., Geissler, P. L., Garrahan, J. P., & Whitelam, S. (2018). Rare behavior of growth processes via umbrella sampling of trajectories. Physical Review E, 97(3), https://doi.org/10.1103/PhysRevE.97.032123

• Journal Article Type: Article
• Acceptance Date: Feb 3, 2018
• Publication Date: Mar 19, 2018
• Deposit Date: Apr 13, 2018
• Publicly Available Date: Apr 13, 2018
• Journal: Physical Review E
• Print ISSN: 2470-0045
• Electronic ISSN: 2470-0053
• Publisher: American Physical Society
• Peer Reviewed: Peer Reviewed
• Volume: 97
• Issue: 3
• DOI: https://doi.org/10.1103/PhysRevE.97.032123
• Public URL: https://nottingham-repository.worktribe.com/output/920895
• Publisher URL: https://journals.aps.org/pre/abstract/10.1103/PhysRevE.97.032123
• Contract Date: Apr 13, 2018