Related papers: Three-dimensional multi-physics simulation and sen…
Vertical equilibrium models have proven to be well suited for simulating fluid flow in subsurface porous media such as saline aquifers with caprocks. However, in most cases the dimensionally reduced model lacks the accuracy to capture the…
Computation of gas dispersal in urban places or hilly grounds requires a large amount of computer time when addressed with conventional multidimensional models. Those are usually based on two-phase flow or Navier-Stokes equations. Different…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer lattice-gas of interacting monomers adsorbed on one-dimensional channels arranged in a triangular…
Reducing carbon dioxide emissions has become a must in society, being crucial to find alternatives to supply the energy demand. Adsorption-based cooling and heating technologies are receiving attention for thermal energy storage…
We consider the problem of hydrogen storage integration in microgrids to improve the electricity supply resilience. Nonlinear effects from electrochemical models of electrolyzers and fuel cells for hydrogen storage are considered, making…
Our understanding of stellar structure and evolution coming from one-dimensional (1D) stellar models is limited by uncertainties related to multi-dimensional processes taking place in stellar interiors. 1D models, however, can now be tested…
Over times shorter than that required for relaxation of enthalpy, a liquid can exhibit striking heterogeneities. The picture of these heterogeneities is complex with transient patches of rigidity, irregular yet persistent, intersected by…
Carbon capture and storage in basalt is being actively investigated as a scalable climate change mitigation option. Accurate geochemical modeling prediction of the extent and rate of CO2 mineralization is a critical component in assessing…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfuric acid. Preliminary results from dynamic Monte Carlo…
Recognized as a not-an-option approach to mitigate the climate crisis, carbon dioxide capture and storage (CCS) has a potential as much as gigaton of CO2 to sequestrate permanently and securely. Recent attention has been paid to store…
Seismic imaging is the numerical process of creating a volumetric representation of the subsurface geological structures from elastic waves recorded at the surface of the Earth. As such, it is widely utilized in the energy and construction…
Carbon dioxide hydrates are ice-like nonstoichiometric inclusion solid compounds with importance to global climate change, and gas transportation and storage. The thermodynamic and kinetic mechanisms that control carbon dioxide nucleation…
The dynamics of entrainment of finite-size heavy particles in a turbulent open channel flow over a smooth surface are analyzed. Three types of simulations, namely with freely moving, rotation-constrained, and spanwise-motion-constrained…
Simulating direct current resistivity, frequency domain electromagnetics and time domain electromagnetics in settings where steel cased boreholes are present is of interest across a range of applications including well-logging, monitoring…
Compacted expansive clays are often considered as a possible buffer material in high-level deep radioactive waste disposals. After the installation of waste canisters, the engineered clay barriers are subjected to thermo-hydro-mechanical…
Quantitative prediction of thermodynamic properties in solution is essential for translating atomistic simulations into reliable chemical insight. As an exemplar system, the behaviour of CaCO$_3$ in water has been widely studied to…
A numerical algorithm for solving mantle convection problems with strongly variable viscosity is presented. Equations for conservation of mass and momentum for highly viscous and incompressible fluids are solved iteratively by a multigrid…
In turbulence modeling, we are concerned with finding closure models that represent the effect of the subgrid scales on the resolved scales. Recent approaches gravitate towards machine learning techniques to construct such models. However,…
Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…