Single-file diffusion (SFD) is a key mechanism underlying transport phenomena in confined physical and biological systems. In a typical SFD process, microscopic particles are restricted to moving in a narrow channel where they cannot pass one another, resulting in constrained motion and anomalous long-time diffusion. In this study, we use Brownian dynamics simulations and analytical theory to investigate the SFD of athermal active Brownian particles (ABPs)—a minimal model of active colloids. Building on prior work [Schiltz-Rouse et al., Phys. Rev. E 108, 064601 (2023)], where the kinetic temperature, pressure, and compressibility of the single-file ABP system were derived, we develop an accurate analytical expression for the mean square displacement (MSD) of a tagged particle. We find that the MSD exhibits ballistic behavior at short times, governed by the reduced kinetic temperature of the system. At long times, the characteristic subdiffusive scaling of SFD, [⟨(Δx)2⟩∼ t1/2], is preserved. However, self-propulsion introduces significant changes to the 1D-mobility, which we directly relate to the system’s compressibility. Furthermore, we demonstrate that the generalized 1D-mobility, originally proposed by Kollmann for equilibrium systems [M. Kollmann, Phys. Rev. Lett. 90, 180602 (2003)], can be extended to active systems with minimal modification. These findings provide a framework for understanding particle transport in active systems and for tuning transport properties at the microscale, particularly in geometries where motion is highly restricted.
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28 April 2025
Research Article|
April 22 2025
Single-file diffusion of active Brownian particles
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2024 JCP Emerging Investigators Special Collection
Akinlade Akintunde
;
Akinlade Akintunde
(Conceptualization, Formal analysis, Investigation, Writing – original draft, Writing – review & editing)
1
Department of Chemistry, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
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Parvin Bayati
;
Parvin Bayati
(Conceptualization, Data curation, Formal analysis, Investigation, Validation, Writing – original draft, Writing – review & editing)
1
Department of Chemistry, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
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Hyeongjoo Row
;
Hyeongjoo Row
(Conceptualization, Data curation, Formal analysis, Investigation, Writing – review & editing)
2
Department of Chemical and Biomolecular Engineering, UC Berkeley
, Berkeley, California 94720, USA
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Stewart A. Mallory
Stewart A. Mallory
a)
(Conceptualization, Data curation, Formal analysis, Investigation, Project administration, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing)
1
Department of Chemistry, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
3
Department of Chemical Engineering, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
a)Author to whom correspondence should be addressed: [email protected]
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Akinlade Akintunde
1
Parvin Bayati
1
Hyeongjoo Row
2
Stewart A. Mallory
1,3,a)
1
Department of Chemistry, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
2
Department of Chemical and Biomolecular Engineering, UC Berkeley
, Berkeley, California 94720, USA
3
Department of Chemical Engineering, The Pennsylvania State University
, University Park, Pennsylvania 16802, USA
a)Author to whom correspondence should be addressed: [email protected]
J. Chem. Phys. 162, 164902 (2025)
Article history
Received:
November 13 2024
Accepted:
February 17 2025
Citation
Akinlade Akintunde, Parvin Bayati, Hyeongjoo Row, Stewart A. Mallory; Single-file diffusion of active Brownian particles. J. Chem. Phys. 28 April 2025; 162 (16): 164902. https://doi.org/10.1063/5.0248772
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