Related papers: Challenges in modelling diffusiophoretic transport
This paper presents an incomplete Octree mesh implementation of the Shifted Boundary Method (Octree-SBM) for multiphysics simulations of coupled flow and heat transfer. Specifically, a semi-implicit formulation of the thermal Navier-Stokes…
In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…
Confinement can substantially alter the physicochemical properties of materials by breaking translational isotropy and rendering all physical properties position-dependent. Molecular dynamics (MD) simulations have proven instrumental in…
We introduce a new heterogeneous multi-scale method for the simulation of flows of non-Newtonian fluids in general geometries and present its application to paradigmatic two-dimensional flows of polymeric fluids. Our method combines…
We develop a numerical a framework to study phoretic particle dynamics in two dimensions. The particles are modeled as chemically active rigid circles, which can emit or absorb a solute into surrounding fluid. The interaction between…
Macroscopic traffic simulations are based on coupled non-linear partial differential equations, the solutions of which are either shock-like or inhomogeneous with steep gradients, at least in the interesting density regime. We discuss…
Individual constituent balance equations are often used to derive expressions for species-specific segregation velocities in flows of dense granular mixtures. We propose a semiempirical expression for the interspecies momentum exchange in…
Our goal is to develop a flux limiter of the Flux-Corrected Transport method for a nonconservative convection-diffusion equation. For this, we consider a hybrid difference scheme that is a linear combination of a monotone scheme and a…
The critical task of inferring anomalous cross-field transport coefficients is addressed in simulations of boundary plasmas with fluid models. A workflow for parameter inference in the UEDGE fluid code is developed using Bayesian…
This study presents a numerical procedure, which we call the macroscopic forcing method (MFM), which reveals the differential operators acting on the mean fields of quantities transported by underlying fluctuating flows. Specifically, MFM…
The conventional no-slip boundary condition leads to a non-integrable stress singularity at a moving contact line. This makes numerical simulations challenging, especially when capillary effects are essential for the dynamics of the flow.…
Turbulence cascade has been modeled using various methods; the one we have used applies to a more exact representation of turbulence where people use the multifractal representation. The nature of the energy dissipation is usually governed…
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…
We use a one dimensional symmetric exclusion model to study pressure and osmosis driven flows through molecular-sized channels, such as biological membrane channels and zeolite pores. Analytic expressions are found for the steady-state flow…
We study the use of the Evans Nonequilibrium Molecular Dynamics (NEMD) heat flow algorithm for the computation of the heat conductivity in one-dimensional lattices. For the well-known Fermi-Pasta-Ulam (FPU) model, it is shown that when the…
In this study, two initial boundary value problems for one dimensional advection-dispersion equation are solved by differential quadrature method based on sine cardinal functions. Pure advection problem modeling transport of conservative…
Diffusion of a two component fluid is studied in the framework of differential equations, but where these equations are systematically derived from a well-defined microscopic model. The model has a finite carrying capacity imposed upon it…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
The Phase-Field Method (PFM) is employed to simulate two-phase flows with the fully-coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations governing the temporal evolution. The methodology minimizes the total energy functional, accounting for…
Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent…