Search results for "Dissipative particle dynamics"

Flows and mixing in channels with misaligned superhydrophobic walls.

2014

Aligned superhydrophobic surfaces with the same texture orientation reduce drag in the channel and generate secondary flows transverse to the direction of the applied pressure gradient. Here we show that a transverse shear can be easily generated by using superhydrophobic channels with misaligned textured surfaces. We propose a general theoretical approach to quantify this transverse flow by introducing the concept of an effective shear tensor. To illustrate its use, we present approximate theoretical solutions and Dissipative Particle Dynamics simulations for striped superhydrophobic channels. Our results demonstrate that the transverse shear leads to complex flow patterns, which provide a…

Exploiting seeding of random number generators for efficient domain decomposition parallelization of dissipative particle dynamics

2013

Abstract Dissipative particle dynamics (DPD) is a new promising method commonly used in coarse-grained simulations of soft matter and biomolecular systems at constant temperature. The DPD thermostat involves the evaluation of stochastic or random forces between pairs of neighboring particles in every time step. In a parallel computing environment, the transfer of these forces from node to node can be very time consuming. In this paper we describe the implementation of a seeded random number generator with three input seeds at each step which enables the complete generation of the pairwise stochastic forces in parallel DPD simulations with minimal communication between nodes.

Mesoscopic Simulations of Polyelectrolyte Electrophoresis in Nanochannels

2011

We present the results of mesoscopic dissipative particle dynamics (DPD) simulations of coupled electrohydrodynamic phenomena on the micro- and nanoscale. The effects of electroosmotic flow and slippage combined with polyelectrolyte electrophoresis are investigated in detail, taking full account of hydrodynamic and electrostatic interactions. Our numerical results are in excellent agreement with analytical calculations.

A New Colloid Model for Dissipative-Particle-Dynamics Simulations

2016

We propose a new model to simulate spherical colloids. This is a mesoscopic method based on the dissipative particle dynamics. The colloid is represented by a large spherical bead, and its surface interacts with the solvent beads through a pair of dissipative and stochastic forces. This new model extends the tunable-slip boundary condition [Eur. Phys. J. E 26, 115 (2008)] from planar surfaces to curved geometry, thus allows one to study colloids with slippery surfaces. Simulation results show good agreement with the prediction of hydrodynamic theories, indicating the hydrodynamic interactions are properly accounted in our new model.

Cross-stream migration of a Brownian droplet in a polymer solution under Poiseuille flow

2018

The migration of a Brownian fluid droplet in a parallel-plate microchannel was investigated using dissipative particle dynamics computer simulations. In a Newtonian solvent, the droplet migrated toward the channel walls due to inertial effects at the studied flow conditions, in agreement with theoretical predictions and recent simulations. However, the droplet focused onto the channel centerline when polymer chains were added to the solvent. Focusing was typically enhanced for longer polymers and higher polymer concentrations with a nontrivial flow-rate dependence due to droplet and polymer deformability. Brownian motion caused the droplet position to fluctuate with a distribution that prim…

Anisotropic flow in striped superhydrophobic channels

2012

We report results of dissipative particle dynamics simulations and develop a semi-analytical theory of an anisotropic flow in a parallel-plate channel with two superhydrophobic striped walls. Our approach is valid for any local slip at the gas sectors and an arbitrary distance between the plates, ranging from a thick to a thin channel. It allows us to optimize area fractions, slip lengths, channel thickness and texture orientation to maximize a transverse flow. Our results may be useful for extracting effective slip tensors from global measurements, such as the permeability of a channel, in experiments or simulations, and may also find applications in passive microfluidic mixing.

Effective slippage on superhydrophobic trapezoidal grooves

2013

We study the effective slippage on superhydrophobic grooves with trapezoidal cross-sections of various geometries (including the limiting cases of triangles and rectangular stripes), by using two complementary approaches. First, dissipative particle dynamics (DPD) simulations of a flow past such surfaces have been performed to validate an expression [E.S.Asmolov and O.I.Vinogradova, J. Fluid Mech. \textbf{706}, 108 (2012)] that relates the eigenvalues of the effective slip-length tensor for one-dimensional textures. Second, we propose theoretical estimates for the effective slip length and calculate it numerically by solving the Stokes equation based on a collocation method. The comparison …

Controlling Janus Nanodisc Topology through ABC Triblock Terpolymer/Homopolymer Blending in 3D Confinement

2021

Janus particles have drawn considerable interest as colloidal surfactants, microswimmers, and building blocks for colloidal lattices. So far, research primarily focused on spherical Janus particles for which a number of fabrication methods are well established. Janus particles with geometric anisotropy offer shape-dependent properties in addition to surface anisotropy, but their synthesis is more challenging. Here, we report a variety of polymeric Janus nanoparticles synthesized from ABC triblock terpolymer microphases in microemulsion droplets. Evaporation-induced assembly of the ABC triblock terpolymers led to prolate microparticles with A/C lamellae stacked along the particle’s major axi…

Frequency-Dependent Dielectric Polarizability of Flexible Polyelectrolytes in Electrolyte Solution: A Dissipative Particle Dynamics Simulation

2019

Dielectric response of nanoscopic spherical colloids in alternating electric fields: a dissipative particle dynamics simulation.

2012

We study the response of single nanosized spherical colloids in electrolyte solution to an alternating electric field (AC field) by computer simulations. We use a coarse-grained mesoscopic simulation approach that accounts in full for hydrodynamic and electrostatic interactions as well as for thermal fluctuations. The solvent is modeled as a fluid of single Dissipative Particle Dynamics (DPD) beads, and the colloidal particle is modeled as a rigid body made of DPD beads. We compute the mobility and the polarizability of a single colloid and investigate systematically the effect of amplitude and frequency of the AC-fields. Even though the thickness of the Debye layer is not "thin" compared t…