Related papers: Real-fluid Transport Property Computations Based o…
The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…
We apply the method of invariant manifolds to derive equations of generalized hydrodynamics from the linearized Boltzmann equation and determine exact transport coefficients, obeying Green-Kubo formulas. Numerical calculations are performed…
Rydberg atoms and beams of ultracold polar molecules have become highly useful experimental tools in recent years. There is therefore a need for accessible calculations of interaction potentials between such particles and nearby surfaces…
Fully Developed Turbulence (FDT) is a theoretical asymptotic phenomenon which can only be approximated experimentally or computationally, so its defining characteristics are hypothetical. It is considered to be a chaotic stationary flow…
Mass transport of a driven granular binary mixture is analyzed from the inelastic Boltzmann kinetic equation for inelastic Maxwell models (IMM). The mixture is driven by a thermostat constituted by two terms: a stochastic force and a drag…
Hydrodynamic density functional theory (DFT) is applied to analyse dynamic contact angles of droplets in order to assess its predictive capability regarding wetting phenomena at the microscopic scale and to evaluate its feasibility for…
In this paper, a coupling lattice Boltzmann (LB) model for simulating thermal flows on the standard D2Q9 lattice is developed in the framework of the double-distribution-function (DDF) approach in which the viscous heat dissipation and…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
Bulk thermal conductivity estimates based on predictions from non-equilibrium molecular dynamics (NEMD) using the so-called direct method are known to be severely under-predicted since finite simulation length-scales are unable to mimic…
First-principles based modeling on phonon dynamics and transport using density functional theory and Boltzmann transport equation has proven powerful in predicting thermal conductivity of crystalline materials, but it remains unfeasible for…
Charged particle transport is an important energy transport mode in the combustion process of inertial confinement fusion plasma. On the one hand, charged particles inside the hot spot have a strong non-equilibrium effect, so it is…
We study and predict the interfacial tension, solubility parameters and Flory-Huggins parameters of binary mixtures as functions of pressure and temperature, using multiscale numerical simulation. A mesoscopic approach is proposed for…
An approximate analytical solution to the fluctuation potential problem in the modified Poisson-Boltzmann theory of electrolyte solutions in the restricted primitive model is presented. The solution is valid for all inter-ionic distances,…
In this paper, we consider the capabilities of the Boltzmann equation with the Shakhov and ellipsoidal models for the collision term to capture the characteristics of rarefied gas flows. The benchmark is performed by comparing the results…
We present a new direct simulation Monte-Carlo method for solving the relativistic Boltzmann equation. We solve numerically the 2-dimensional Boltzmann equation using this new algorithm. We find that elliptic flow from this transport…
A kinetic model is proposed for rarefied flows of molecular gas with rotational and temperature-dependent vibrational degrees of freedom. The model reduces to the Boltzmann equation for monatomic gas when the energy exchange between the…
A semi-implicit Lax-Wendroff kinetic scheme is developed for hydrodynamic phonon transport in solid materials based on the Boltzmann transport equation under the double relaxation time approximation, in which both the normal and resistive…
We investigate transport properties of one-dimensional fermionic tight binding models featuring nearest and next-nearest neighbor hopping, where the fermions are additionally subject to a weak short range mutual interaction. To this end we…
Prediction of two-phase boiling flows using the computational fluid dynamics (CFD) approach is very challenging since several sub-models for interfacial mass, momentum and energy transfer in such flows are still not well established and…
In this work an optimized multicomponent lattice Boltzmann (LB) model is deployed to simulate axisymmetric turbulent jets of a fluid evolving in a quiescent, immiscible environment over a wide range of dynamic regimes. The implementation of…