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This study introduces a deterministic method to estimate entropy production using a single trajectory, leveraging the thermodynamic uncertainty relation. The method provides tight lower bounds and exact estimates for certain systems, advancing nonequilibrium thermodynamics research.

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Area of Science:

  • Thermodynamics
  • Statistical Mechanics
  • Physical Chemistry

Background:

  • Entropy production quantifies irreversibility and energy dissipation in nonequilibrium systems.
  • Estimating entropy production from single trajectories is crucial for understanding complex systems.
  • Existing methods often require ensemble averages or specific system properties.

Purpose of the Study:

  • To develop a deterministic method for estimating entropy production from single system trajectories.
  • To utilize the thermodynamic uncertainty relation for tighter bounds on entropy production.
  • To validate the method across diverse nonequilibrium systems.

Main Methods:

  • Proposing a deterministic approach based on optimal current estimation from basis currents.
  • Applying the thermodynamic uncertainty relation to derive lower bounds for entropy production.
  • Proving the saturation of the relation in the short-time limit for specific systems.
  • Utilizing integral fluctuation theorems for enhanced accuracy when applicable.

Main Results:

  • A tight lower bound for entropy production is derived using an optimal current.
  • Exact entropy production estimates are achieved for overdamped Langevin systems.
  • The method provides the tightest lower bound for Markov jump processes.
  • Empirical validation across a Markov chain, driven particle, and bead-spring model confirms effectiveness.

Conclusions:

  • The proposed deterministic method efficiently estimates entropy production from single trajectories.
  • The method offers significant advancements in quantifying irreversibility in diverse nonequilibrium systems.
  • This work provides a valuable tool for researchers in statistical physics and physical chemistry.