相关论文: Diffusiophoretic migration of colloidal particles …
We analyze the trajectory of suspended spherical particles moving through a square array of obstacles, in the deterministic limit and at zero Reynolds number. We show that, in the dilute approximation of widely separated obstacles, the…
Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…
We study the thermal Markovian diffusion of tracer particles in a 2D medium with spatially-varying diffusivity $D(r)$, mimicking recently measured, heterogeneous maps of the apparent diffusion coefficient in biological cells. For this…
Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent…
We analyse the self-diffusiophoresis of a spherical particle animated by a nonuniform chemical reaction at its boundary. We consider two models of solute absorption, one with a specified distribution of interfacial solute flux, and one…
Typical bodily and environmental fluids encountered by biological swimmers consist of dissolved macromolecules such as proteins and polymers, often rendering them non Newtonian. To mimic such scenarios, we investigate the motion of swimming…
Computer simulations were done of the mean square displacement (MSD) of tracer particles in colloidal gels formed by diffusion or reaction limited aggregation of hard spheres. The diffusion coefficient was found to be determined by the…
The viscosity and self-diffusion constant of particle-based mesoscale hydrodynamic methods, multi-particle collision dynamics (MPC) and dissipative particle dynamics (DPD), are investigated, both with and without angular-momentum…
Recent experimental studies have shown that particle transfer across streamlines can be controlled passively using stratified flows of co-flowing streams at a finite Reynolds number. The stratification modifies the forces acting on…
The electric field dielectric polarization-based separations mechanism represents a novel method for separating solutions at small length scales. An electric field gradient with a maximum strength of $\mathrm{0.4~MV/m}$ applied across a…
We show the impact that scalar structures deformation and mixing has on the fate of plumes of waterborne contaminant transported through a chemically heterogeneous, partially adsorbing porous medium. Via pore-scale simulations, we follow…
Expressions for local discrete variance decay (DVD) rates are directly derived from discrete tracer equations without any assumptions on discrete fluxes of the second moment. Spurious mixing (SM) associated with numerical implementations of…
We perform experimental investigations of osmotically driven flows in artificial microchannels by studying the dynamics and structure of the front of a sugar solution traveling in 200 um wide and 50-200 um deep microchannels. We find that…
The variance of the local density of the pair contact process with diffusion (PCPD) is investigated in a bosonic description. At the critical point of the absorbing phase transition (where the average particle number remains constant) it is…
We consider diffusion-controlled release of particles from $d$-dimensional radially-symmetric geometries. A quantity commonly used to characterise such diffusive processes is the proportion of particles remaining within the geometry over…
We experimentally, numerically and analytically explore the diffusive transport of active colloidal particles with sensory delay, navigating motility landscapes in which the self-propulsion speed depends on space. We show how the transport…
Catalytic Janus swimmers demonstrate a diffusio-phoretic motion by self-generating the gradients of concentrations and electric potential. Recent work has focused on simplified cases, such as a release of solely one type of ions or low…
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…
Sorting and separation of microparticles is a challenging problem of interdisciplinary nature. Existing technologies can differentiate microparticles by their bulk properties, such as size, density, electric polarizability, etc. The next…