Related papers: Tuning structure and mobility of solvation shells …
Swimming cells and microorganisms must often move though complex fluids that contain an immersed microstructure such as polymer molecules, or filaments. In many important biological processes, such as mammalian reproduction and bacterial…
We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are implemented as tunneling processes,…
The diffusion of tracer particles immersed in a granular gas under uniform shear flow (USF) is analyzed within the framework of the inelastic Boltzmann equation. Two different but complementary approaches are followed to achieve exact…
We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depend on temperature, particle concentration, and composition.…
Dynamics of two particles with short range repulsive or attractive interaction is studied numerically in the Harper model. It is shown that interaction leads to appearance of localized states and pure-point spectrum component in the case…
Systems are studied in which transport is possible due to large extension with open boundaries in certain directions but the particles responsible for transport can disappear from it by leaving it in other directions, by chemical reaction…
Heterogeneous media constitute random disordered environments where transport is drastically hindered. Employing extensive molecular dynamics simulations, we investigate the spatio-temporal dynamics of tracer particles in the Lorentz model…
The collapse and swelling behavior of a generic homopolymer is studied using implicit-solvent, explicit-cosolvent Langevin dynamics computer simulations for varying interaction strengths. The systematic investigation reveals that polymer…
Based on the trajectories of the separation between water molecule pairs from MD simulations, we investigate the bond breakage dynamics in bulk water. From the spectrum of mean first-passage times, the Fokker-Planck equation allows us to…
We study one-dimensional hardcore lattice gases, with nearest-neighbor interactions, in the presence of an external potential barrier, that moves on the periodic lattice with a constant speed. We investigate how the nature of the…
Discretized fluid solvers coupled to a Newtonian dynamics method are a popular tool to study suspension flow. As any simulation technique with finite resolution, the lattice Boltzmann method, when coupled to discrete particles using the…
Optical tracking in vivo experiments reveal that diffusion of particles in biological cells is strongly enhanced in the presence of ATP and the experimental data for animal cells could previously be reproduced within a phenomenological…
The mobility of particles in fluid membranes is a fundamental aspect of many biological processes. In a 1975 paper [1], Saffman and Delbr\"uck demonstrated how the presence of external Stokesian solvents is crucial in regularising the…
We study the combined effects of natural convection and rotation on the dissolution of a solute in a solvent-filled circular cylinder. The density of the fluid increases with the increasing concentration of the dissolved solute, and we…
The theory developed in our previous papers is applied in this paper to investigate the dependence of slowing down of dynamics of glass-forming liquids on the attractive and repulsive parts of intermolecular interactions. Through an…
Langevin simulations provide an effective way to study collective effects of Brownian particles immersed in a two-dimensional periodic potential. In this paper, we concentrate essentially on the behaviour of the tracer (DTr) and bulk (DB)…
Understanding the role of self-propulsion on the conformational properties of active filamentous objects has relevance in biology. In this context, we consider a flexible bead-spring model polymer for which along with both attractive and…
The trace formula for the evolution operator associated with nonlinear stochastic flows with weak additive noise is cast in the path integral formalism. We integrate over the neighborhood of a given saddlepoint exactly by means of a smooth…
We study the behaviour of interacting self-propelled particles, whose self-propulsion speed decreases with their local density. By combining direct simulations of the microscopic model with an analysis of the hydrodynamic equations obtained…
We study the localisation of lattice polymer models near a permeable interface in two dimensions. Localisation can arise due to an interaction between the polymer and the interface, and can be altered by a preference for the bulk solvent on…