A large deviation theory perspective on nanoscale transport phenomena
arXiv:2104.05194 · doi:10.1140/epjb/s10051-021-00164-1
Abstract
Understanding transport processes in complex nanoscale systems, like ionic conductivities in nanofluidic devices or heat conduction in low dimensional solids, poses the problem of examining fluctuations of currents within nonequilibrium steady states and relating those fluctuations to nonlinear or anomalous responses. We have developed a systematic framework for computing distributions of time integrated currents in molecular models and relating cumulants of those distributions to nonlinear transport coefficients. The approach elaborated upon in this perspective follows from the theory of dynamical large deviations, benefits from substantial previous formal development, and has been illustrated in several applications. The framework provides a microscopic basis for going beyond traditional hydrodynamics in instances where local equilibrium assumptions break down, which are ubiquitous at the nanoscale.
arXiv commentSmall revisions for clarity
References in corpus (107)
- Stochastic thermodynamics, fluctuation theorems, and molecular machines
- The Entropy Production Fluctuation Theorem and the Nonequilibrium Work Relation for Free Energy Differences
- Self-motile colloidal particles: from directed propulsion to random walk
- The large deviation approach to statistical mechanics
- Statistically optimal analysis of samples from multiple equilibrium states
- Motility-Induced Phase Separation
- Dynamical Ensembles in Nonequilibrium Statistical Mechanics
- Entropy production along a stochastic trajectory and an integral fluctuation theorem
- A Gallavotti-Cohen Type Symmetry in the Large Deviation Functional for Stochastic Dynamics
- Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
- Fluctuation theorem for stochastic dynamics
- Swimming in circles: Motion of bacteria near solid boundaries
- Thermodynamic uncertainty relation for biomolecular processes
- Emergence of macroscopic directed motion in populations of motile colloids
- Length-dependent thermal conductivity in suspended single-layer graphene
- Heat Transport in low-dimensional systems
- Non equilibrium steady states: fluctuations and large deviations of the density and of the current
- Molecular transport through capillaries made with atomic-scale precision
- Dissipation bounds all steady-state current fluctuations
- Macroscopic fluctuation theory
- Dynamics on the Way to Forming Glass: Bubbles in Space-time
- The Fluctuation Theorem as a Gibbs Property
- Odd viscosity in chiral active fluids
- Direct evaluation of large-deviation functions
- Nonequilibrium Markov processes conditioned on large deviations
- Active Brownian Particles and Run-and-Tumble Particles: a Comparative Study
- Molecular streaming and its voltage control in ångström scale channels
- Chaotic hypothesis: Extension of Onsager reciprocity to large fields and the chaotic hypothesis
- Large deviations and ensembles of trajectories in stochastic models
- Space-time Thermodynamics of the Glass Transition
- Nonequilibrium microcanonical and canonical ensembles and their equivalence
- Simulating rare events in dynamical processes
- Stripe formation in bacterial systems with density-suppressed motility
- Introduction to dynamical large deviations of Markov processes
- Extended Heat-Fluctuation Theorems for a System with Deterministic and Stochastic Forces
- Nonequilibrium steady states in a vibrated-rod monolayer: tetratic, nematic and smectic correlations
- An update on nonequilibrium linear response
- Hyperuniformity and phase separation in biased ensembles of trajectories for diffusive systems
- Anomalous Heat Diffusion
- Anomalous Heat Diffusion
- From anomalous energy diffusion to Levy walks and heat conductivity in one-dimensional systems
- Variational and optimal control representations of conditioned and driven processes
- Light-induced self-assembly of active rectification devices
- Ergodicity and large deviations in physical systems with stochastic dynamics
- Spontaneous Symmetry Breaking at the Fluctuating Level
- Numerical test of hydrodynamic fluctuation theory in the Fermi-Pasta-Ulam chain
- Population dynamics method with a multi-canonical feedback control
- Effective interactions and large deviations in stochastic processes
- Mechanically activated ionic transport across single-digit carbon nanotubes
- Optimizing active work: Dynamical phase transitions, collective motion, and jamming
- Dynamical phase transition for current statistics in a simple driven diffusive system
- Odd Diffusivity of Chiral Random Motion
- Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model
- Beyond the Tradeoff: Dynamic Selectivity in Ionic Transport and Current Selectivity
- Test of the Additivity Principle for Current Fluctuations in a Model of Heat Conduction
- The Fluctuation Theorem and Green-Kubo Relations
- Theory of amorphous ices
- Using matrix product states to study the dynamical large deviations of kinetically constrained models
- Nonequilibrium Linear Response for Markov Dynamics, II: Inertial Dynamics
- Large deviations of heat flow in harmonic chains
- Stochastic Thermodynamics of Non-Linear Electronic Circuits: A Realistic Framework for Computing around kT
- Numerical Integration of the Extended Variable Generalized Langevin Equation with a Positive Prony Representable Memory Kernel
- Exact solution of a Levy walk model for anomalous heat transport
- DMRG-study of current and activity fluctuations near non-equilibrium phase transitions
- Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics
- Discrete Opinion Dynamics with M choices
- Thermodynamic formula for the cumulant generating function of time-averaged current
- Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers
- Linear response theory and Green-Kubo relations for active matter
- Entropy production fluctuations encode collective behavior in active matter
- Rare behavior of growth processes via umbrella sampling of trajectories
- Dynamic transition in an atomic glass former: a molecular dynamics evidence
- Transport and Helfand moments in the Lennard-Jones fluid. I. Shear viscosity
- Dissipation controls transport and phase transitions in active fluids: Mobility, diffusion and biased ensembles
- Importance sampling large deviations in nonequilibrium steady states. I
- A reinforcement learning approach to rare trajectory sampling
- Energy diffusion in hard-point systems
- Dynamical simulations of classical stochastic systems using matrix product states
- Collective motion in large deviations of active particles
- Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states
- Current fluctuations of interacting active Brownian particles
- Ultrahigh convergent thermal conductivity of carbon nanotubes from comprehensive atomistic modeling
- A violation of universality in anomalous Fourier's law
- Bound particle coupled to two thermostats
- Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations
- Dynamical Phase Transitions in a 2D Classical Nonequilibrium Model via 2D Tensor Networks
- Principles of Low Dissipation Computing from a Stochastic Circuit Model
- Nonlinear transport coefficients from large deviation functions
- Field-dependent ionic conductivities from generalized fluctuation-dissipation relations
- Optimal sampling of dynamical large deviations via matrix product states
- Space-time Phase Transitions in Driven Kinetically Constrained Lattice Models
- Evolutionary reinforcement learning of dynamical large deviations
- Variational design principles for nonequilibrium colloidal assembly
- Direct evaluation of dynamical large-deviation rate functions using a variational ansatz
- Finite-Time and -Size Scalings in the Evaluation of Large Deviation Functions: Numerical Approach in Continuous Time
- On the molecular correlations that result in field-dependent conductivities in electrolyte solutions
- Transport Coefficients from Large Deviation Functions
- Efficient characterisation of large deviations using population dynamics
- Response theory for nonequilibrium steady-states of open quantum systems
- Microreversibility, nonequilibrium current fluctuations, and response theory
- Quantum response theory for nonequilibrium steady states
- Heat current fluctuations and anomalous transport in low dimensional carbon lattices
- Response of active Brownian particles to boundary driving
- Large deviations and heterogeneities in a driven kinetically constrained model
- Thermodynamic formalism and linear response theory for non-equilibrium steady states
- Constructing Auxiliary Dynamics for Nonequilibrium Stationary States by Variance Minimization
- Inverse Design of Non-Equilibrium Steady-States: A Large Deviation Approach
Cited by in corpus (9)
- Odd mobility of a passive tracer in a chiral active fluid
- Reinforcement learning of rare diffusive dynamics
- Reliability and entropy production in non-equilibrium electronic memories
- Finite time large deviations via matrix product states
- Slow dynamics and large deviations in classical stochastic Fredkin chains
- Intrinsic interface adsorption drives selectivity in atomically smooth nanofluidic channels
- Variational time reversal for free energy estimation in nonequilibrium steady states
- Heat statistics in the relaxation process of the Edwards-Wilkinson elastic manifold
- Rejection-free quantum Monte Carlo in continuous time from transition path sampling