Related papers: Thermodiffusion in model nanofluids by molecular d…
We study the dynamics of particles in a multi-component 2d Lennard-Jones (LJ) fluid in the limiting case where {\it all the particles are different} (APD). The equilibrium properties of this APD system were studied in our earlier work…
We investigate the single-file dynamics of a tagged particle in a system consisting of N hardcore interacting particles (the particles cannot pass each other) which are diffusing in a one-dimensional system where the particles have…
We study the dynamics of an athermal inertial run-and-tumble particle moving in a shear-thickening medium in $d=1$. The viscosity of the medium is represented by a nonlinear function $f(v)\sim\tan(v)$, while a symmetric dichotomous noise of…
This paper proposes a novel particle scheme that provides convergent approximations of a weak solution of the Navier-Stokes equations for the 1-D flow of a viscous compressible fluid. Moreover, it is shown that all differential inequalities…
Significant temperature effects on the electrokinetic transport in a nanochannel with a slab geometry are demonstrated using a molecular dynamics (MD) model. A system consisting of Na+ and Cl- ions dissolved in water and confined between…
It was suggested in the literature that the self-diffusion coefficient of simple fluids can be approximated as a ratio of the squared thermal velocity of the atoms to the "fluid Einstein frequency," which can thus serve as a rough estimate…
We study heat transfer in plane Couette flow laden with rigid spherical particles by means of direct numerical simulations using a direct-forcing immersed boundary method to account for the dispersed phase. A volume of fluid approach is…
In this article, the evolution of nanoparticles in a two-dimensional temporal mixing layer over a long time is investigated. the flow field is calculated with direct numerical simulation (DNS), while the particle field is simulated using…
We study the contribution of advection by thermal velocity fluctuations to the effective diffusion coefficient in a mixture of two identical fluids. The steady-state diffusive flux in a finite system subject to a concentration gradient is…
The temperature-dependent transverse mechanical properties of single-walled nanotubes are studied using a molecular mechanics approach. The stretching and bond angle force constants describing the mechanical behaviour of the sp^{2} bonds…
We calculate the thermophoretic drift of a charged single colloidal particle with hydrodynamically slipping surface immersed in an electrolyte solution in response to a small temperature gradient. Here, we rely on a linearized hydrodynamic…
Using the Landauer-Buttiker theory we calculate the thermal conductance associated to plasmons modes in one dimensional arrays of nanoparticles closely spaced in a host fluid. Our numerical simulations show that the near-field interactions…
We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the…
We investigate the dynamics of spreading of a small liquid droplet in gas in a one-component simple fluid, where the temperature is inhomogeneous around 0.9Tc and latent heat is released or generated at the interface upon evaporation or…
Water nanoconfinement is known to occur inside material void spaces, such as 2D confinement between surfaces, 1D confinement inside nanotubes, and variable-dimension confinement inside nanoporous materials. In the present work we…
Results from the state-of-the-art molecular dynamics simulations are presented for both equilibrium and nonequilibrium dynamics following vapor-liquid transition in a single component Lennard-Jones system. We have fixed the overall density…
Recent microfluidic experiments have explored the precise positioning of micron-sized particles in liquid environments via laser-induced thermoviscous flow. From micro-robotics to biology at the subcellular scale, this versatile technique…
A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a…
A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model, are used to carry out long (several $\mu$s) simulation and study folding transition and transport of proteins…
The van der Waals forces across a very thin liquid layer (nanofilm) in contact with a plane solid wall make the liquid nonhomogeneous. The dynamics of such flat liquid nanofilms is studied in isothermal case. The Navier-Stokes equations are…