相关论文: Computing bulk and shear viscosities from simulati…
Normal stresses in sheared suspensions of non-Brownian particles are obtained from numerical simulations in the viscous regime. The stresses are determined in homogeneous shear of non-buoyant particles and by analyzing shear-induced…
Microscopic dynamics reveal the origin of the bulk rheological response in complex fluids. In model systems particle motion can be tracked, but for industrially relevant samples this is often impossible. Here we adapt differential dynamic…
While significant research has been dedicated to the simulation of fluids, not much attention has been given to exploring new interesting behavior that can be generated with the different types of non-Newtonian fluids with non-constant…
We show how to evaluate mobility profiles, characterizing the transport of confined fluids under a perturbation, from equilibrium molecular simulations. The correlation functions derived with the Green-Kubo formalism are difficult to sample…
Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…
We report on an extensive study of the viscosity of liquid water at near-ambient conditions, performed within the Green-Kubo theory of linear response and equilibrium ab initio molecular dynamics (AIMD), based on density-functional theory…
The dynamic structure factor, vorticity and entropy density dynamic correlation functions are measured for Stochastic Rotation Dynamics (SRD), a particle based algorithm for fluctuating fluids. This allows us to obtain unbiased values for…
Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…
We present predictions for the statistical error due to finite sampling in the presence of thermal fluctuations in molecular simulation algorithms. Specifically, we establish how these errors depend on Mach number, Knudsen number, number of…
The methodology to simulate transport phenomena in bulk systems is well-established. In contrast, there is no clear consensus about the choice of techniques to model cross-transport phenomena and phoretic transport, mainly because some of…
We investigate the effects of finite baryon density and temperature on the bulk properties of matter formed in relativistic heavy ion collisions within second-order dissipative hydrodynamics. The relativistic fluid evolution equations for…
We present a modification of a recently developed volume of fluid method for multiphase problems, so that it can be used in conjunction with a fractional step-method and fast Poisson solver, and validate it with standard benchmark problems.…
The shear viscosity of liquid cobalt at the pressure $p=1.5$~bar and at the temperatures corresponding to equilibrium liquid and supercooled liquid states is measured experimentally and evaluated by means of molecular dynamics simulations.…
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…
A consistent description of a shear flow, the accompanied viscous heating, and the associated entropy balance is given in the framework of a deterministic dynamical system, where a multibaker dynamics drives two fields: the velocity and the…
Traditional models of wormlike chains in shear flows at finite temperature approximate the equation of motion via finite difference discretization (bead and rod models). We introduce here a new method based on a spectral representation in…
The asymmetries that arise when a mixing layer involves two miscible fluids of differing densities are investigated using incompressible (low-speed) direct numerical simulations. The simulations are performed in the temporal configuration…
One of the essential questions in the area of granular matter is, how to obtain macroscopic tensorial quantities like stress and strain from ``microscopic'' quantities like the contact forces in a granular assembly. Different averaging…
To elucidate the key factor for the quantitative prediction of the shear-thickening in suspensions in viscoelastic fluids, direct numerical simulations of many-particle suspensions in a multi-mode Oldroyd-B fluid are performed using the…
The non-linear bubble dynamics equations in a compressible liquid have been modified considering the effects of compressibility of both the liquid and the gas at the bubble interface. A new bubble boundary equation has been derived, which…