Increase in rod diffusivity emerges even in Markovian nature.

Phys Rev E

Department of Materials Physics, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa, Nagoya 464-8603, Japan.

Published: April 2023

Rod-shaped particles embedded in certain matrices have been reported to exhibit an increase in their center of mass diffusivity upon increasing the matrix density. This increase has been considered to be caused by a kinetic constraint in analogy with tube models. We investigate a mobile rodlike particle in a sea of immobile point obstacles using a kinetic Monte Carlo scheme equipped with a Markovian process, that generates gaslike collision statistics, so that such kinetic constraints do essentially not exist. Even in such a system, provided the particle's aspect ratio exceeds a threshold value of about 24, the unusual increase in the rod diffusivity emerges. This result implies that the kinetic constraint is not a necessary condition for the increase in the diffusivity.

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http://dx.doi.org/10.1103/PhysRevE.107.044604DOI Listing

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