Related papers: Bruce-Vincent transference numbers from molecular …
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…
In this paper, we present a new model for heat transfer in compressible fluid flows. The model is derived from Hamilton's principle of stationary action in Eulerian coordinates, in a setting where the entropy conservation is recovered as an…
Motivated by the Asynchronous Finite Differences Method utilized for the calculation of the most probable distributions of finite particle number systems, this study employs numerical variation and central difference techniques to provide…
We study the long-time behaviour of the temperature-driven compressible flows. We show that numerical solutions of a structure-preserving finite volume method generate a discrete attractor that consists of entire discrete trajectories.…
One of the most enigmatic science question concerning inertial particle transport by a turbulent boundary layer flow is the value of the turbulent Schmidt number as the ratio of particle diffusivity and turbulent eddy viscosity. Using…
We present direct numerical simulation results of turbulent open channel flow at bulk Reynolds numbers up to 12000, coupled with (passive) scalar transport at Schmidt numbers up to 200. Care is taken to capture the very large scale motions…
Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically. Often this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured,…
The excess entropy of restricted primitive model electrolytes is calculated using a potential based approach through the symmetric Poisson-Boltzmann and the modified Poisson-Boltzmann theories. The theories are utilized in conjunction with…
Several Lagrangian methodologies have been proposed in recent years to simulate advection-dispersion of solutes in fluids as a mass exchange between numerical particles carrying the fluid. In this paper, we unify these methodologies,…
The most common mathematical models for electrolyte flows are based on the dilute solution assumption, leading to a coupled system of the Nernst--Planck--Poisson drift-diffusion equations for ion transport and the Stokes resp.…
Stochastic reaction-diffusion processes may be presented in terms of integrable quantum chains and can be used to describe various biological and chemical systems. Exploiting the integrability of the models one finds in some cases good…
Under physiological conditions, ballistic long-range transfer of electronic excitations in molecular aggregates is generally expected to be suppressed by noise and dissipative processes. Hence, quantum phenomena are not considered to be…
The dynamics of heat transfer in a model system of Rayleigh-B\'enard (RB) convection reduced to its essential, here dubbed Burgers-Rayleigh-B\'enard (BRB), is studied. The system is spatially one-dimensional, the flow field is compressible…
In this article, we present experimental and numerical techniques to investigate the transfer, transport, and reaction of a chemical species in the vicinity of rising bubbles. In the experiment, single oxygen bubbles of diameter d b = 0.55…
We consider the numerical solution of coupled volume-surface reaction-diffusion systems having a detailed balance equilibrium. Based on the conservation of mass, an appropriate quadratic entropy functional is identified and an…
We consider a test problem for Navier-Stokes solvers based on the flow around a cylinder that exhibits chaotic behavior, to examine the behavior of various numerical methods. We choose a range of Reynolds numbers for which the flow is…
The problems of numerical modeling of viscous incompressible fluid flows are widely considered in computational fluid dynamics. Stationary solutions of boundary value problems for the Navier-Stokes equations exist at large Reynolds numbers,…
An implicit Euler finite-volume scheme for general cross-diffusion systems with volume-filling constraints is proposed and analyzed. The diffusion matrix may be nonsymmetric and not positive semidefinite, but the diffusion system is assumed…
Simulation-to-Real (Sim2Real) transfer learning, the machine learning technique that efficiently solves a real-world task by leveraging knowledge from computational data, has received increasing attention in materials science as a promising…
The flow of fluid confined between a heated rotating cylinder and a cooled stationary cylinder is a canonical experiment for the study of heat transfer in engineering. The theoretical treatment of this system is greatly simplified if the…