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We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…
The transient behaviour of highly concentrated colloidal liquids and dynamically arrested states (glasses) under time-dependent shear is reviewed. This includes both theoretical and experimental studies and comprises the macroscopic…
We investigate a general scenario for ``glassy'' or ``jammed'' systems driven by an external, non-conservative force, analogous to a shear force in a fluid. In this scenario, the drive results in the suppression of the usual aging process,…
We report recent results of molecular dynamics simulations of frictional athermal particles at constant volume fraction and constant applied shear stress, focusing on a range of control parameters where the system first flows, but then jams…
We investigate spatial and temporal cross-correlations between streamwise and normal velocity components in three shear flows: a low-dimensional model for vortex-streak interactions, direct numerical simulations for a nearly homogeneous…
Velocity autocorrelation functions (VAF) of the fluids are studied on short- and long-time scales within a unified approach. This approach is based on an effective summation of the infinite continued fraction at a reasonable assumption…
This work presents a systematic methodology for describing the transient dynamics of coarse-grained molecular systems inferred from all-atom simulated data. We suggest Langevin-type dynamics where the coarse-grained interaction potential…
Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…
Based on a mesoscopic theory we investigate the non-equilibrium dynamics of a sheared nematic liquid, with the control parameter being the shear stress $\sigma_{\mathrm{xy}}$ (rather than the usual shear rate, $\dot\gamma$). To this end we…
Simulations of laser-induced electron dynamics in a molecular system are performed using time-dependent (TD) equation-of-motion (EOM) coupled-cluster (CC) theory. The target system has been chosen to highlight potential shortcomings of…
Using extensive non-equilibrium molecular dynamics simulations, we investigate a glassforming binary Lennard-Jones mixture under shear. Both supercooled liquids and glasses are considered. Our focus is on the characterization of…
Dense emulsions, colloidal gels, microgels, and foams all display a solid-like behavior at rest characterized by a yield stress, above which the material flows like a liquid. Such a fluidization transition often consists of long-lasting…
The nonequilibrium hydrodynamic correlations of a Multiparticle-Collision-Dynamics (MPC) fluid in shear flow are studied by analytical calculations and simulations. The Navier-Stokes equations for a MPC fluid are linearized about the shear…
The impact of turbulent fluctuations on the forces exerted by a fluid on a towed spherical particle is investigated by means of high-resolution direct numerical simulations. The measurements are carried out using a novel scheme to integrate…
In this work, we develop an accelerated sharp-interface method based on (Hu et al., JCP, 2006) and (Luo et al., JCP, 2015) for multiphase flows simulations. Traditional multiphase simulation methods use the minimum time step of all fluids…
The ubiquitous appearance of regions of localized deformation (shear bands) in different kinds of disordered materials under shear is studied in the context of a mesoscopic model of plasticity. The model may or may not include relaxational…
We study the local flow properties of various materials in a vane-in-cup geometry. We use magnetic resonance imaging techniques to measure velocities and particle concentrations in flowing Newtonian fluid, yield stress fluid, and in a…
Data-driven methods demonstrate considerable potential for accelerating the inherently expensive computational fluid dynamics (CFD) solvers. Nevertheless, pure machine-learning surrogate models face challenges in ensuring physical…
Molecular dynamics simulations are carried out to investigate the dynamic behavior of the slip length in thin polymer films confined between atomically smooth thermal surfaces. For weak wall-fluid interactions, the shear rate dependence of…
We propose a numerical scheme for simulation of transient flows of incompressible non-Newtonian fluids characterised by a non-monotone relation between the symmetric part of the velocity gradient (shear rate) and the Cauchy stress tensor…