A large deviation theory perspective on nanoscale transport phenomena

Limmer, David T.; Gao, Chloe Y.; Poggioli, Anthony R.

doi:10.1140/epjb/s10051-021-00164-1

Cited by 15 publications

(6 citation statements)

References 158 publications

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“…To understand and design nanofluidic devices, an approach that combines macroscopic and molecular perspectives is necessary. 27 In this letter, we show how interfacial atomic structure affects the directed transport of an electrolyte solution in nanochannels made of atomically flat graphite (GR) and hexagonal boron nitride (BN) walls using molecular dynamics simulations unified with a contemporary perspective on hydrodynamics. These simple systems have been studied extensively because of their intriguing transport properties, such as anomalously high permeabilities in GR, 28,28−36 and the potential to incorporate selectivity for desalination or blue energy applications.…”

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confidence: 84%

Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels

2023

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Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but these require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular dynamics simulations and linear response theory can be synthesized with hydrodynamics to provide a comprehensive characterization of nanofluidic transport. Specifically, we study the pressure driven flows of ionic solutions in nanochannels comprised of two-dimensional crystalline substrates made from graphite and hexagonal boron nitride. While simple hydrodynamic descriptions do not predict a streaming electrical current or salt selectivity in such simple systems, we observe that both arise due to the intrinsic molecular interactions that act to selectively adsorb ions to the interface in the absence of a net surface charge. Notably, this emergent selectivity indicates that these nanochannels can serve as desalination membranes.

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confidence: 84%

Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels

2023

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“…Refs. [1][2][3][4]). At long times (assuming finite correlation times) the probabilities of such observables obey a LD principle, and the corresponding scaled cumulant generating function (SCGF, see below) can be retrieved from the leading eigenvalue of the tilted (or deformed or biased) generator [1].…”

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confidence: 99%

Finite Time Large Deviations via Matrix Product States

2022

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Recent work has shown the effectiveness of tensor network methods for computing large deviation functions in constrained stochastic models in the infinite time limit. Here we show that these methods can also be used to study the statistics of dynamical observables at arbitrary finite time. This is a harder problem because, in contrast to the infinite time case where only the extremal eigenstate of a tilted Markov generator is relevant, for finite time the whole spectrum plays a role. We show that finite time dynamical partition sums can be computed efficiently and accurately in one dimension using matrix product states, and describe how to use such results to generate rare event trajectories on demand. We apply our methods to the Fredrickson-Andersen (FA) and East kinetically constrained models, and to the symmetric simple exclusion process (SSEP), unveiling dynamical phase diagrams in terms of counting field and trajectory time. We also discuss extensions of this method to higher dimensions.

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“…Then, we show that the error rate is exponentially suppressed as the square of the dissipation (for large dissipation). To get there, we make use of advanced methods from stochastic thermodynamics [9], large deviations theory [12][13][14][15][16], and first-passage time statistics [17][18][19].…”

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confidence: 99%

Reliability and entropy production in nonequilibrium electronic memories

2022

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We find the relation between reliability and entropy production in a realistic model of electronic memory (lowpower metal-oxide-semiconductor-based SRAM) where logical values are encoded as metastable nonequilibrium states. We employ large deviation techniques to obtain an analytical expression for the bistable quasipotential describing the nonequilibrium steady state and use it to derive an explicit expression bounding the error rate of the memory. Our results go beyond the dominant contribution given by classical instanton theory and provide accurate estimates of the error rate as confirmed by comparison with stochastic simulations.

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A large deviation theory perspective on nanoscale transport phenomena

Cited by 15 publications

References 158 publications

Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels

Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels

Finite Time Large Deviations via Matrix Product States

Reliability and entropy production in nonequilibrium electronic memories

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