Excess Entropy Scaling in Active-Matter Systems.

J Phys Chem Lett

Department of Civil and Environmental Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States.

Published: June 2022

Active-matter systems feature discrete particles that can convert stored or ambient free energy into motion. To realize the engineering potential of active matter, there is a strong need for predictive and theoretically grounded techniques for describing transport in these systems. In this work, we perform molecular-dynamics (MD) simulations of a model active-matter system, in which we vary the total fraction of active particles (0.01 ≤ ϕ ≤ 0.5) as well as the degree of activity of the active particles. These simulations reveal a fascinating array of transport phenomena, including activity-enhanced diffusion coefficients. By adapting an existing result for binary (inactive) fluids, we demonstrate the existence of an excess entropy scaling relation in an active system. This relationship is well supported by our MD results and establishes a new connection between transport (dynamics) and structure (statics) in active matter, a promising step for predictive and generalizable models of other transport phenomena in such systems.

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http://dx.doi.org/10.1021/acs.jpclett.2c01415DOI Listing

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