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Transition-path sampling for run-and-tumble particles.

Thomas Kiechl1, Thomas Franosch1, Michele Caraglio1

  • 1Institut für Theoretische Physik, <a href="https://ror.org/054pv6659">Universität Innsbruck</a>, Technikerstraße 21A, A-6020 Innsbruck, Austria.

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Summary
This summary is machine-generated.

This study generalizes transition-path sampling for active run-and-tumble particles. The method overcomes the lack of microscopic reversibility to analyze rare pathways across potential barriers.

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Area of Science:

  • Statistical Mechanics
  • Active Matter Physics
  • Computational Chemistry

Background:

  • Transition-path sampling (TPS) is a powerful algorithm for studying rare events in complex systems.
  • Active particles, like run-and-tumble particles (RTPs), are prevalent in nature but exhibit non-equilibrium dynamics.
  • The standard TPS algorithm relies on microscopic reversibility, a property often violated by non-equilibrium systems like RTPs.

Purpose of the Study:

  • To generalize the transition-path-sampling algorithm for non-equilibrium systems, specifically run-and-tumble particles.
  • To circumvent the requirement of microscopic reversibility in path sampling for active matter.
  • To characterize the structure and kinetics of rare transition pathways in RTPs crossing a potential barrier.

Main Methods:

  • Elaboration and validation of a generalized transition-path-sampling algorithm.
  • Identification of suitable backward dynamics and a well-defined path-probability density for RTPs.
  • Application of the developed method to analyze rare transition pathways in RTPs.

Main Results:

  • Successfully generalized transition-path sampling for run-and-tumble particles, a paradigmatic non-equilibrium system.
  • Demonstrated a method to circumvent the lack of microscopic reversibility by defining appropriate backward dynamics.
  • Characterized the structure and kinetics of rare pathways for RTPs navigating a potential barrier.

Conclusions:

  • The developed generalized TPS method is effective for studying rare events in non-equilibrium active matter systems.
  • This work provides a valuable computational tool for understanding the dynamics of run-and-tumble particles.
  • The findings offer insights into the mechanisms of barrier crossing in active particle systems.