相关论文: Modeling low saline carbonated water flooding incl…
The weakly compressible smoothed particle hydrodynamics (WCSPH) method has been employed to simulate various physical phenomena involving fluids and solids. Various methods have been proposed to implement the solid wall, inlet/outlet, and…
Structural Causal Models (SCMs) provide a popular causal modeling framework. In this work, we show that SCMs are not flexible enough to give a complete causal representation of dynamical systems at equilibrium. Instead, we propose a…
Complex salt geometries and strong velocity contrasts pose significant challenges for velocity model building and subsalt imaging. Although full waveform inversion (FWI) provides high-resolution velocity models, its performance strongly…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Paints and coatings undergo a variety of physical and chemical changes under environmental exposures. Accurate prediction of these changes is important for the applications of coatings. This work presents a novel approach to modeling…
Using smoothed particle hydrodynamics (SPH) simulations, we investigate the coefficient of restitution (COR) in wet collisions and identify a scaling law governing its behavior. The simulations employ an updated-Lagrangian, mesh-free…
We investigate how models of fluid properties and boundary conditions influence predictions of convective mixing in confined porous media, with relevance to subsurface carbon dioxide storage. Using high-resolution simulations at high…
Soil moisture (SM) estimation from active microwave data remains challenging due to the complex interactions between radar backscatter and surface characteristics. While the water cloud model (WCM) provides a semi-physical approach for…
We develop a well-balanced central-upwind scheme for rotating shallow water model with horizontal temperature and/or density gradients---the thermal rotating shallow water (TRSW). The scheme is designed using the flux globalization…
This paper introduces a reduced-order modeling approach based on finite volume methods for hyperbolic systems, combining Proper Orthogonal Decomposition (POD) with the Discrete Empirical Interpolation Method (DEIM) and Proper Interval…
To track rapid changes within our water sector, Global Water Models (GWMs) need to realistically represent hydrologic systems' response patterns - such as baseflow fraction - but are hindered by their limited ability to learn from data.…
A first-principles study of the adsorption of a single water molecule on a layer of graphitic carbon nitride employing an embedding approach is presented. The embedding approach involves an algorithm to obtain localized Wannier orbitals of…
Finite volume schemes for hyperbolic balance laws require a piecewise polynomial reconstruction of the cell averaged values, and a reconstruction is termed `well-balanced' if it is able to simulate steady states at higher order than time…
Full-Waveform Inversion (FWI) is a high-resolution technique used in geophysics to evaluate the physical parameters and construct subsurface models in a noisy and limited data scenario. The ill-posed nature of the FWI turns this a…
To simulate CO$_{2,g}$-water flow in tank experiments, subject to viscous, gravitational and capillary forces as well as the dissolution of this gas (CO$_{2,aq}$), we constructed a simple pseudo black-oil model. Simple PVT correlations were…
In this study, we focus on the modelling of coupled systems of shallow water flows and solute transport with source terms due to variable topography and friction effect. Our aim is to propose efficient and accurate numerical techniques for…
Geophysical flow simulations using hyperbolic shallow water moment equations require an efficient discretization of a potentially large system of PDEs, the so-called moment system. This calls for tailored model order reduction techniques…
The sample-based quantum diagonalization (SQD) method shows great promise in quantum-centric simulations of ground state energies in molecular systems. Inclusion of solute-solvent interactions in simulations of electronic structure is…
Molecular dynamics (MD) simulations of ions (K$^+$, Na$^+$, Ca$^{2+}$ and Cl$^-$) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and…
We describe an approach for modeling fluid concentration profiles in grid-based microfluidic chips for fluid mixing. This approach provides an algorithm that predicts fluid concentrations at the chip outlets. Our algorithm significantly…