In silico studies of active probe dynamics in crowded media

L Theeyancheri, R Sahoo, P Kumar, R Chakrabarti - ACS omega, 2022 - ACS Publications
Active systems are made of agents, each of which takes energy from the environment and
converts it to directed motion. Therefore, by construction, these systems function out of …

Self-Organized States from Solutions of Active Ring Polymers in Bulk and under Confinement

JP Miranda, E Locatelli, C Valeriani - Journal of Chemical Theory …, 2023 - ACS Publications
In the present work, we study, by means of numerical simulations, the structural and
dynamical behavior of a suspension of active ring polymers in bulk and under lateral …

Active dynamics of linear chains and rings in porous media

L Theeyancheri, S Chaki, T Bhattacharjee… - The Journal of …, 2023 - pubs.aip.org
To understand the dynamical and conformational properties of deformable active agents in
porous media, we computationally investigate the dynamics of linear chains and rings made …

Dynamic clustering of active rings

L Theeyancheri, S Chaki, T Bhattacharjee… - Physical Review …, 2024 - APS
A collection of rings made of active Brownian particles (ABPs) for different packing fractions
and activities is investigated using computer simulations. We show that active rings display …

Active Darcy's Law

RR Keogh, T Kozhukhov, K Thijssen, TN Shendruk - Physical Review Letters, 2024 - APS
While bacterial swarms can exhibit active turbulence in vacant spaces, they naturally inhabit
crowded environments. We numerically show that driving disorderly active fluids through …

H2 Anisotropic Subdiffusion and Induced Expansion in Portlandite, Gibbsite, and Boehmite

T Honorio, M Trifa, T Herin… - The Journal of Physical …, 2024 - ACS Publications
(Oxy) hydroxides such as portlandite (Ca (OH) 2), boehmite (γ-AlOOH), and gibbsite (γ-Al
(OH) 3) have been shown to produce and store dihydrogen or its precursor, the H· atom …

Facilitated dynamics of an active polymer in 2D crowded environments with obstacles

S Wu, JX Li, QL Lei - Soft Matter, 2022 - pubs.rsc.org
Understanding the behaviors of a single active chain in complex environments is not only an
interesting topic in non-equilibrium physics but also has applicative implications in …

Escape dynamics of active ring polymers in a cylindrical nanochannel

C Li, Q Chen, M Ding - Soft Matter, 2024 - pubs.rsc.org
We explore the escape dynamics of active ring polymers confined in a cylindrical
nanochannel using Brownian dynamics. Our simulation results show that the escape time …

Conformation and dynamics of an active filament in crowded media

R Yan, F Tan, J Wang, N Zhao - The Journal of Chemical Physics, 2023 - pubs.aip.org
The structural and dynamical properties of active filamentous objects under macromolecular
crowding have a great relevance in biology. By means of Brownian dynamics simulations …

Structure and dynamics of an active polymer chain inside a nanochannel grafted with polymers

R Sahoo, R Chakrabarti - Soft Matter, 2023 - pubs.rsc.org
We use computer simulations to investigate the complex dynamics of a polymer, made of
active Brownian particles, inside a channel grafted internally with passive polymer chains …