Related papers: Diffusion of a Janus nanoparticle in an explicit s…
If an active Janus particle is trapped at the interface between a liquid and a fluid, its self-propelled motion along the interface is affected by a net torque on the particle due to the viscosity contrast between the two adjacent fluid…
We use molecular dynamics simulation to study the relationship between structure and dynamics in supercooled binary Lennard--Jones nanoparticles over a range of particle sizes. The glass transition temperature of the nanoparticles is found…
We theoretically study the active motion of self-diffusiophoretic Janus particles (JPs) using the Onsager-Casimir reciprocal relations. The linear and angular velocity of a single JP are shown to respectively result from a coupling of…
We study the dynamics of active Janus particles that self-propel in solution by light-activated catalytic decomposition of chemical "fuel." We develop an analytical model of a photo-active self-phoretic particle that accounts for…
We study experimentally-using Janus colloids-and theoretically-using Active Brownian Particles- the sedimentation of dilute active colloids. We first confirm the existence of an exponential density profile. We show experimentally the…
We determine the long-time self-diffusion coefficient and sedimentation coefficient for suspensions of nanoparticles with anisotropic shapes (octahedra, cubes, tetrahedra, and spherocylinders) as a function of nanoparticle concentration…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
Molecular dynamics simulations are performed to investigate heterogeneous dynamics in amorphous glassy materials under oscillatory shear strain. We consider three-dimensional binary Lennard-Jones mixture well below the glass transition…
We study the interface dynamics of a binary particle mixture in a rotating cylinder numerically. By considering only the particle motion in axial direction, it is shown that the initial dynamics can be well described by a one-dimensional…
The change in the angular momentum of an atomic cluster following evaporation is investigated using rigorous phase space theory and molecular dynamics simulations, with an aim at the possible rotational cooling and heating effects.…
We study the evolution of fronts in a bistable reaction-diffusion system when the nonlinear reaction term is spatially non-homogeneous. This equation has been used to model wave propagation in various biological systems. Extending previous…
We investigate the transport diffusivity of artificial microswimmers, a.k.a. Janus particles, moving in a sinusoidal channel in the absence of external biases. Their diffusion constant turns out to be quite sensitive to the self-propulsion…
The issue of the stability of Pickering emulsions is tackled at a mesoscopic level using dissipative particle dynamics simulations within the Adiabatic Biased Molecular Dynamics framework. We consider the early stage of the coalescence…
Short-time dynamics and high-frequency rheology for suspensions of non-overlapping core-shell particles with thin shells were analyzed. In the thin-shell limit, the single-particle scattering coefficients were derived and shown to define a…
The translational-diffusion coefficient $D_T$ and the spin-rotation contribution to the $^1$H NMR relaxation time $T_{1J}$ for methane (CH$_4$) are investigated using MD (molecular dynamics) simulations, over a wide range of densities…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
Our ability to numerically model and understand the complex flow behavior of solid-bearing suspensions has increased significantly over the last couple of years, partly due to direct numerical simulations that compute flow around individual…
This paper considers particle propagation in a cylindrical molecular communication channel, e.g. a simplified model of a blood vessel. Emitted particles are influenced by diffusion, flow, and a vertical force induced e.g. by gravity or…
The transport equation of active motion is generalised to consider time-fractional dynamics for describing the anomalous diffusion of self-propelled particles observed in many different systems. In the present study, we consider an…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…