Related papers: Phase-Field/Discontinuity Capturing operator for d…
The numerical simulation of multiphase flows presents several challenges, namely the transport of different phases within de domain and the inclusion of capillary effects. Here, these are approached by enforcing a discrete…
The present study addresses the challenge of enhancing computational efficiency without compromising accuracy in numerical simulations of vacuum gas dynamics using the direct simulation Monte Carlo (DSMC) method. A technique termed "fixed…
Accurate characterization of subsurface flow is critical for Carbon Capture and Storage (CCS) but remains challenged by the ill-posed nature of inverse problems with sparse observations. We present Function-space Decoupled Diffusion…
Dirichlet-Neumann Operators (DNOs) are important to the formulation, analysis, and simulation of many crucial models found in engineering and the sciences. For instance, these operators permit moving-boundary problems, such as the classical…
Aerodynamic pressure field over bluff bodies immersed in boundary layer flows is correlated both in space and time. Conventional approaches for the analysis of distributed aerodynamic pressures, e.g., the proper orthogonal decomposition…
Density functional simulations of condensed phase water are typically inaccurate, due to the inaccuracies of approximate functionals. A recent breakthrough showed that the SCAN approximation can yield chemical accuracy for pure water in all…
This paper proposes an efficient potential and viscous flow decomposition method for wave-structure interaction simulation with single-phase potential flow wave models and two-phase Computational Fluid Dynamics (CFD) solvers. The potential…
Gas-liquid-solid multiphase systems are ubiquitous in engineering applications, e.g. inkjet printing, spray drying and coating. Developing a numerical framework for modelling these multiphase systems is of great significance. An improved,…
Wetting is fundamental to many technological applications that involve the motion of the fluid-fluid interface on a solid. While static wetting is well understood in the context of thermodynamic equilibrium, dynamic wetting is more…
In this work, a localized artificial-viscosity/diffusivity method is proposed for accurately capturing discontinuities in compressible flows. There have been numerous efforts to improve the artificial diffusivity formulation in the last two…
Nonequilibrium, ``fast switching'' estimates of equilibrium free energy differences, Delta F, are often plagued by poor convergence due to dissipation. We propose a method to improve these estimates by generating trajectories with reduced…
This paper presents a spectral scheme for the numerical solution of nonlinear conservation laws in non-periodic domains under arbitrary boundary conditions. The approach relies on the use of the Fourier Continuation (FC) method for spectral…
We present a new scheme to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function technique. With respect…
It is known that ab initio molecular dynamics (AIMD) simulations of liquid water, based on the generalized gradient approximation (GGA) to density functional theory (DFT), yield structural and diffusive properties in reasonable agreement…
In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…
Diffusion probabilistic models (DPMs) have shown remarkable performance in visual synthesis but are computationally expensive due to the need for multiple evaluations during the sampling. Recent predictor-corrector diffusion samplers have…
An advanced Volume of Fluid (VOF) method is presented that enables performant three-dimensional Direct Numerical Simulations (DNS) of the interaction of two immiscible fluids in a gaseous environment with large topology changes, e.g.,…
We present a discrete filter for subgrid-scale (SGS) model, coupled with the discretization corrected particle strength exchange (DC-PSE) method for the simulation of three-dimensional viscous incompressible flow, at high Reynolds flows.…
Phase-field models are a leading approach for realistic fracture problems. They treat the crack as a second phase and use gradient terms to smear out the crack faces, enabling the use of standard numerical methods for simulations. This…
The phase-field-based lattice Boltzmann (LB) model has been developed to perform high fidelity multiphase flow simulations. Its ability to accurately handle high density ratio and surface tension effects is expected to be beneficial for…