Related papers: Phase-Field/Discontinuity Capturing operator for d…
We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…
We develop an operator splitting method to simulate flows of isothermal compressible natural gas over transmission pipelines. The method solves a system of nonlinear hyperbolic partial differential equations (PDEs) of hydrodynamic type for…
The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…
An effective means for analyzing the impact of novel operating schemes on power systems is time domain simulation, for example for investigating optimization-based curtailment of renewables to alleviate voltage violations. Traditionally,…
We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…
We start with a general governing equation for diffusion transport, written in a conserved form, in which the phenomenological flux laws can be constructed in a number of alternative ways. We pay particular attention to flux laws that can…
The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…
Accurately preserving the volume of the dispersed droplets remains a significant challenge in phase-field simulations of droplet-laden turbulence, especially under conditions that feature strong interfacial deformation and breakup. While…
In this paper we compare the heave, surge, and pitch dynamics of a submerged cylindrical point absorber, simulated using potential flow and fully-resolved computational fluid dynamics (CFD) models. The potential flow model is based on the…
In this article, we propose a novel conservative diffuse-interface method for the simulation of immiscible compressible two-phase flows. The proposed method discretely conserves the mass of each phase, momentum and total energy of the…
Learning probabilistic surrogates for partial differential equations remains challenging in data-scarce regimes: neural operators require large amounts of high-fidelity data, while generative approaches typically sacrifice resolution…
Carbon Capture and Storage (CCS) is a recently discussed new technology, aimed at allowing an ongoing use of fossil fuels while preventing the produced CO2 to be released to the atmosphere. CSS can be modeled with two components (water and…
A wide variety of interface capturing methods have been introduced for simulating two-phase flows throughout the years. However, there is a noticeable dearth of literature focusing on objective comparisons between these methods, especially…
Computing equilibrium shapes of crystals (ESC) is a challenging problem in materials science that involves minimizing an orientation-dependent (i.e., anisotropic) surface energy functional subject to a prescribed mass constraint. The highly…
Multiphase, compressible and viscous flows are of crucial importance in a wide range of scientific and engineering problems. Despite the large effort paid in the last decades to develop accurate and efficient numerical techniques to address…
In this paper, we propose an improved phase field model for interface capturing in simulating two-phase incompressible flows. The model incorporates a second-order diffusion term, which utilizes a nonlinear coefficient to assess the degree…
In the present work, we present a novel numerical algorithm to couple the Direct Simulation Monte Carlo method (DSMC) for the solution of the Boltzmann equation with a finite volume like method for the solution of the Euler equations.…
Phase field models have emerged as a powerful and flexible framework for simulating complex interface-driven phenomena across a wide range of scientific and engineering applications. In fracture mechanics, the phase field…
The Van der Waals equation (VdW-EoS) is a prototype equation of state for realistic systems, because it contains the excluded volume and the particle interactions. Additionally, the simulated annealing (and the similar simulated…
Continuous normalizing flows (CNFs) can model data distributions with expressive infinite-length architectures. But this modeling involves computationally expensive process of solving an ordinary differential equation (ODE) during maximum…