Rare behavior of growth processes via umbrella sampling of trajectories
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.
- Authors:
-
- Univ. of California, Berkeley, CA (United States)
- Univ. of Nottingham (United Kingdom)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1601174
- Alternate Identifier(s):
- OSTI ID: 1426838
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. E
- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 3; Journal ID: ISSN 2470-0045
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 97 MATHEMATICS AND COMPUTING
Citation Formats
Klymko, Katherine, Geissler, Phillip L., Garrahan, Juan P., and Whitelam, Stephen. Rare behavior of growth processes via umbrella sampling of trajectories. United States: N. p., 2018.
Web. doi:10.1103/physreve.97.032123.
Klymko, Katherine, Geissler, Phillip L., Garrahan, Juan P., & Whitelam, Stephen. Rare behavior of growth processes via umbrella sampling of trajectories. United States. https://doi.org/10.1103/physreve.97.032123
Klymko, Katherine, Geissler, Phillip L., Garrahan, Juan P., and Whitelam, Stephen. Mon .
"Rare behavior of growth processes via umbrella sampling of trajectories". United States. https://doi.org/10.1103/physreve.97.032123. https://www.osti.gov/servlets/purl/1601174.
@article{osti_1601174,
title = {Rare behavior of growth processes via umbrella sampling of trajectories},
author = {Klymko, Katherine and Geissler, Phillip L. and Garrahan, Juan P. and Whitelam, Stephen},
abstractNote = {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.},
doi = {10.1103/physreve.97.032123},
journal = {Physical Review. E},
number = 3,
volume = 97,
place = {United States},
year = {Mon Mar 19 00:00:00 EDT 2018},
month = {Mon Mar 19 00:00:00 EDT 2018}
}
Web of Science
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