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• W3100313089 abstract "Probability currents are fundamental in characterizing the kinetics of non-equilibrium processes. Notably, the steady-state current $J_{ss}$ for a source-sink system can provide the exact mean-first-passage time (MFPT) for the transition from source to sink. Because transient non-equilibrium behavior is quantified in some modern path sampling approaches, such as the weighted ensemble strategy, there is strong motivation to determine bounds on $J_{ss}$ -- and hence on the MFPT -- as the system evolves in time. Here we show that $J_{ss}$ is bounded from above and below by the maximum and minimum, respectively, of the current as a function of the spatial coordinate at any time $t$ for one-dimensional systems undergoing over-damped Langevin (i.e., Smoluchowski) dynamics and for higher-dimensional Smoluchowski systems satisfying certain assumptions when projected onto a single dimension. These bounds become tighter with time, making them of potential practical utility in a scheme for estimating $J_{ss}$ and the long-timescale kinetics of complex systems. Conceptually, the bounds result from the fact that extrema of the transient currents relax toward the steady-state current." @default.
• W3100313089 created "2020-11-23" @default.
• W3100313089 creator A5003813944 @default.
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• W3100313089 date "2019-11-05" @default.
• W3100313089 modified "2023-10-04" @default.
• W3100313089 title "Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture" @default.
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• W3100313089 doi "https://doi.org/10.1063/1.5120511" @default.
• W3100313089 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7043855" @default.
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• W3100313089 hasPublicationYear "2019" @default.
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