Effective interactions in active Brownian particles

Clare R. Rees-Zimmerman, C. Miguel Barriuso Gutierrez, Chantal Valeriani, Dirk G. A. L. Aarts

Research output: Contribution to journalArticlepeer-review

Abstract

We report an approach to obtain effective pair potentials which describe the structure of two-dimensional systems of active Brownian particles. The pair potential is found by an inverse method, which matches the radial distribution function found from two different schemes. The inverse method, previously demonstrated via simulated equilibrium configurations of passive particles, has now been applied to a suspension of active particles. Interestingly, although active particles are inherently not in equilibrium, we still obtain effective interaction potentials which accurately describe the structure of the active system. Treating these effective potentials as if they were those of equilibrium systems, furthermore allows us to measure effective chemical potentials and pressures. Both the passive interactions and active motion of the active Brownian particles contribute to their effective interaction potentials.
Original languageEnglish
JournalSoft Matter
Early online date19 Dec 2025
DOIs
Publication statusE-pub ahead of print - 19 Dec 2025
Externally publishedYes

Data Availability Statement

The code for the test-particle insertion method can be found at https://github.com/creeszimmerman/TPI.

Supplementary information (SI) is available. See DOI: https://doi.org/10.1039/d5sm00706b.

Acknowledgements

C. R. R. Z.'s work is funded by a Junior Research Fellowship from Christ Church, University of Oxford. The authors would like to thank José Martín-Roca (Universidad Complutense de Madrid) for checking the active pressure calculations. C. V. acknowledges the funding awards IHRC22/00002 and PID2022-140407NB-C21 from MCIN/AEI/10.13039/501100011033 and FEDER, EU. The authors thank Francisco Alarcón (University of Guanajuato) for useful discussions.

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