Confined Dynamics in Spherical Polymer Brushes

SB Kotkar, MP Howard, A Nikoubashman… - ACS Macro …, 2023 - ACS Publications
We investigate the dynamics of polymers grafted to spherical nanoparticles in solution using
hybrid molecular dynamics simulations with a coarse-grained solvent modeled via the …

Dynamics of Nanoparticles in Solutions of Semiflexible Ring Polymers

SB Kotkar, R Poling-Skutvik, MP Howard… - The Journal of …, 2024 - ACS Publications
We use hybrid molecular dynamics–multiparticle collision dynamics (MD–MPCD)
simulations to investigate the influence of chain stiffness on the transport of nanoparticles …

Dynamics of nanoparticle tracers in supercooled nanoparticle matrices

P Edimeh, AH Slim, JC Conrad - Soft Matter, 2025 - pubs.rsc.org
We investigate the dynamics of tracer nanoparticles in bulk supercooled nanoparticle
matrices using confocal microscopy. We mix fluorescent (tracer) and undyed (matrix) …

Particle dispersion through porous media with heterogeneous attractions

WK Darko, D Mangal, JC Conrad, JC Palmer - Soft Matter, 2024 - pubs.rsc.org
Porous media used in many practical applications contain natural spatial variations in
composition and surface charge that lead to heterogeneous physicochemical attractions …

Structure dominates localization of tracers within aging nanoparticle glasses

R Poling-Skutvik, RC Roberts, AH Slim… - The Journal of …, 2019 - ACS Publications
We investigate the transport and localization of tracer probes in a glassy matrix as a function
of relative size using dynamic X-ray scattering experiments and molecular dynamics …

Cooperative activated hopping dynamics in binary glass-forming liquids: effects of the size ratio, composition, and interparticle interactions

XJ Ma, R Zhang - Soft Matter, 2023 - pubs.rsc.org
Slow dynamics in supercooled and glassy liquids is an important research topic in soft
matter physics. Compared to the traditionally focused one-component systems, glassy …

Nanoparticle transport in biomimetic polymer‐linked emulsions

DP Keane, CJ Constantine, MD Mellor… - AIChE …, 2024 - Wiley Online Library
The ability of nanoparticles to penetrate and transport through soft tissues is essential to
delivering therapeutics to treat diseases or signaling agents for advanced imaging and …

Confined fluid dynamics in a viscoelastic, amorphous, and microporous medium: Study of a kerogen by molecular simulations and the generalized Langevin equation

K Ariskina, G Galliéro, A Obliger - The Journal of Chemical Physics, 2024 - pubs.aip.org
We combine the use of molecular dynamics simulations and the generalized Langevin
equation to study the diffusion of a fluid adsorbed within kerogen, the main organic phase of …

Ion dynamics in a highly compressed solution of tetra-ethylammonium–tetra-fluoroborate salt in propylene carbonate: A study in the equilibrium and glassy states

M Bonetti - Journal of Non-Crystalline Solids, 2022 - Elsevier
Electrical conductivity of a solution of (E t 4 N+, BF 4−) in propylene carbonate is measured
by varying the pressure and temperature along different thermodynamic paths: pressure is …

[HTML][HTML] Tracer transport in attractive and repulsive supercooled liquids and glasses

RC Roberts, R Poling-Skutvik, JC Conrad… - The Journal of …, 2019 - pubs.aip.org
The transport of small penetrants through disordered materials with glassy dynamics is
encountered in applications ranging from drug delivery to chemical separations …