Related papers: Thermodiffusion in model nanofluids by molecular d…
Using molecular dynamics simulations, we show that an asymmetrically shaped nanoparticle in dilute solution possesses a spontaneously curved trajectory within finite time interval, instead of the generally expected random walk. This…
Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales.…
"Active matter" refers to a class of out-of-equilibrium systems whose ability to transform environmental energy to kinetic energy is sought after in multiple fields of science and at very different length scales. At microscopic scales, an…
Using large scale molecular dynamics simulations we study the orientational dynamics of a heated Janus particle which exhibits self-propulsion. The asymmetry in the microscopic interaction of the colloid with the solvent is implemented by…
This study utilizes molecular dynamics simulations to scrutinize the influence of type and volume fraction of nanoparticle on the density of nanofluids, i.e. silver (as a hydrophilic case) and titanium dioxide (as a hydrophobic case)…
We show that hydrodynamic diffusion is generically present in many-body interacting integrable models. We extend the recently developed generalised hydrodynamic (GHD) to include terms of Navier-Stokes type which lead to positive entropy…
An impact of particles' roughness on the self-diffusion coefficient in granular gases is investigated. For a simplified collision model where the normal and tangential restitution coefficients are assumed to be constant we develop an…
The nonequilibrium dynamics of a binary Lennard-Jones mixture in a simple shear flow is investigated by means of molecular dynamics simulations. The range of temperature investigated covers both the liquid, supercooled and glassy states,…
The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…
The effects of thermal fluctuations on nanoscale flows are captured by a numerical scheme that is underpinned by fluctuating hydrodynamics. A stochastic lubrication equation (SLE) is solved on non-uniform adaptive grids to study a series of…
Most available theoretical predictions for the self-diffusiophoretic motion of colloidal particles are based on the hydrodynamic thin boundary layer approximation in combination with a solvent body force due to a self-generated local solute…
Self-diffusion parameters in stoichiometric B2-NiAl solid state crystals were estimated by molecular statics/dynamics simulations with the study of required simulation time to stabilise diffusivity results. An extrapolation procedure to…
We study the single particle velocity distribution for a granular fluid of inelastic hard spheres or disks, using the Enskog-Boltzmann equation, both for the homogeneous cooling of a freely evolving system and for the stationary state of a…
Recent theoretical research on the fundamentals of statistical mechanics has led to a remarkable discovery [2-4]: with a locally nonchaotic energy barrier, a macroscopic system may produce useful work in a cycle by absorbing heat from a…
Numerical investigations are conducted to study the effect of factors such as particle clustering and interfacial layer thickness on thermal conductivity of nanofluids. Based on this, parameters including Kapitza radius, and fractal and…
While various phase-field models have recently appeared for two-phase fluids with different densities, only some are known to be thermodynamically consistent, and practical stable schemes for their numerical simulation are lacking. In this…
Knowledge of thermal properties is essential to design and evaluate thermal systems and processes using nanofluids. This paper presents different analytical models to predict thermal conductivity and viscosity. The efforts have been made to…
Direct numerical simulations are used to investigate the individual dynamics of large spherical particles suspended in a developed homogeneous turbulent flow. A definition of the direction of the particle motion relative to the surrounding…
Particle diffusion in rotating drums is studied via computer simulations using a full 3-D model which does not involve any arbitrary input parameters. The diffusion coefficient for single-component systems agree qualitatively with previous…