Rare behavior of growth processes via umbrella sampling of trajectories

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

doi:10.1103/physreve.97.032123

Title: Rare behavior of growth processes via umbrella sampling of trajectories

Journal Article · Mon Mar 19 00:00:00 EDT 2018 · Physical Review. E

DOI:https://doi.org/10.1103/physreve.97.032123· OSTI ID:1601174

Klymko, Katherine ^[1]; Geissler, Phillip L. ^[1]; Garrahan, Juan P. ^[2]; Whitelam, Stephen ^[3]

Univ. of California, Berkeley, CA (United States)
Univ. of Nottingham (United Kingdom)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1601174

Alternate ID(s):: OSTI ID: 1426838

Journal Information:: Physical Review. E, Vol. 97, Issue 3; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 45 works

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How Dissipation Constrains Fluctuations in Nonequilibrium Liquids: Diffusion, Structure, and Biased Interactions Tociu, Laura; Fodor, Étienne; Nemoto, Takahiro Physical Review X, Vol. 9, Issue 4 https://doi.org/10.1103/physrevx.9.041026	journal	November 2019
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How dissipation constrains fluctuations in nonequilibrium liquids: Diffusion, structure and biased interactions Tociu, Laura; Fodor, Étienne; Nemoto, Takahiro arXiv https://doi.org/10.48550/arxiv.1808.07838	text	January 2018
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