相关论文: Bruce-Vincent transference numbers from molecular …
The transport coefficients, in particular the transference number, of electrolyte solutions are important design parameters for electrochemical energy storage devices. Recent observation of negative transference numbers in PEO-LiTFSI under…
This work presents a finite element method for a modified Poisson-Nernst-Planck/Navier-Stokes (PNP/NS) model under the mechanical equilibrium, developed for compressible electrolytes. Another key contribution of this work is the reduction…
The ability to quantify the directional flow of information is vital to understanding natural systems and designing engineered information-processing systems. A widely used measure to quantify this information flow is the transfer entropy.…
Multistate empirical valence bond (EVB) models provide an accurate description of the energetics of proton transfer and solvation in complex molecular systems and can be efficiently used in molecular dynamics computer simulations. Within…
Data scarcity, bias, and experimental noise are all frequently encountered problems in the application of deep learning to chemical and material science disciplines. Transfer learning has proven effective in compensating for the lack in…
Transference numbers play an important role for understanding the dynamics of electrolytes and assessing their performance in batteries. Unfortunately, these transport parameters are difficult to measure in highly concentrated, liquid…
Heat transfer by large deformable drops in a turbulent flow is a complex and rich in physics system, in which drops deformation, breakage and coalescence influence the transport of heat. We study this problem coupling direct numerical…
In Vapor Cycle Systems, the mass flow sensor playsa key role for different monitoring and control purposes. However,physical sensors can be inaccurate, heavy, cumbersome, expensive orhighly sensitive to vibrations, which is especially…
Employing numerical simulations, we provide an accurate insight into the of heat transfer mechanisms in the Rayleigh-B\'enard convection of concentrated emulsions with finite-size droplets. We focus on the unsteady dynamics characterizing…
Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental and theoretical polymer sciences. We propose a data-driven…
We present a new hydrodynamic model for incompressible binary fluids that is thermodynamically consistent and non-isothermal. This model follows the generalized Onsager principle and Boussinesq approximation and preserves the volume of each…
In the present study, a discrete forcing Immersed Boundary Method (IBM) is proposed for the numerical simulation of high-speed flow problems including heat exchange. The flow field is governed by the compressible Navier-Stokes equations,…
The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom-centered,…
The present study numerically investigates the vortex shedding and heat transfer characteristics of a heated circular cylinder immersed in Bingham plastic fluids.The effects of three parameters, i.e., (i) plastic Reynolds number ($10 \leq…
To better understand the hydrodynamic flow behavior in turbulence, Particle-Fluid flow have been studied using our Direct Numerical(DNS) based software DSM on MUSCL-QUICK and finite volume algorithm. The particle flow was studied using…
In order to generate the valid numerical simulation model, the sufficient amount of gathered data from the oil field is required. However, it is not always possible to acquire such data at the initial stage of project development. Buckley…
We present results of interface-resolved simulations of heat transfer in suspensions of finite-size neutrally-buoyant spherical particles for solid volume fractions up to 35% and bulk Reynolds numbers from 500 to 5600. An Immersed…
Simulations of nano- to micro-meter scale fluidic systems under thermal gradients require consistent mesoscopic methods accounting for both hydrodynamic interactions and proper transport of energy. One such method is dissipative particle…
A volumetric lattice Boltzmann (LB) method is developed for the particle-resolved direct numerical simulation of thermal particulate flows with conjugate heat transfer. This method is devised as a single-domain approach by applying the…
A novel principle is presented which allows for the proof of bounded weak solutions to a class of physically relevant, strongly coupled parabolic systems exhibiting a formal gradient-flow structure. The main feature of these systems is that…