Related papers: Three-dimensional multi-physics simulation and sen…
Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors…
Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechanisms remain poorly understood. Here, molecular dynamics (MD)…
This paper studies the long-term energy management of a microgrid coordinating hybrid hydrogen-battery energy storage. We develop an approximate semi-empirical hydrogen storage model to accurately capture the power-dependent efficiency of…
We use direct numerical simulation (DNS) to investigate mass transfer between liquid steel and slag during a metallurgical secondary refinement process through two reduced-scale water experiments, which reproduce the dynamics seen in an…
Corals are the primary habitat-building life-form on reefs that support a quarter of the species in the ocean. A coral reef ecosystem usually consists of reefs, each of which is like a tall building in any city. These reef-building corals…
The effective pair potentials of liquid 3d transition metals have been derived from the experimental diffraction data by means of the inverse self-consistent method. The obtained potentials provide highly accurate coincidence of the…
Characterizing stellar convection in multiple dimensions is a topic at the forefront of stellar astrophysics. Numerical simulations are an essential tool for this task. We present an extension of the existing numerical tool-kit A-MaZe that…
In thermally enhanced recovery processes like cyclic steam stimulation (CSS) or steam assisted gravity drainage (SAGD), continuous steam injection entails changes in pore fluid, pore pressure and temperature in the rock reservoir, that are…
Hydrogen exhibits unusual behaviors at megabar pressures, with consequences for planetary science, condensed matter physics and materials science. Experiments at such extreme conditions are challenging, often resulting in hard-to-interpret…
Multivariate spatial modeling is key to understanding the behavior of materials downstream in a mining operation. The ore recovery depends on the mineralogical composition, which needs to be properly captured by the model to allow for good…
Molecular dynamics simulations using classical force fields were carried out to study energetic and structural properties of rotationally disordered clay mineral-water-CO2 systems at pressure and temperature relevant to geological carbon…
Accurately characterizing migration velocity models is crucial for a wide range of geophysical applications, from hydrocarbon exploration to monitoring of CO2 sequestration projects. Traditional velocity model building methods such as…
Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…
Deep-learning-based surrogate models show great promise for use in geological carbon storage operations. In this work we target an important application - the history matching of storage systems characterized by a high degree of (prior)…
The detection of topological phases of matter becomes a central issue in recent years. Conventionally, the realization of a specific topological phase in condensed matter physics relies on probing the underlying surface band dispersion or…
Monte Carlo simulations have been performed for aqueous charged colloidal suspensions as a function of charge density on the particles and salt concentration. We vary the charge density in our simulations over a range where a reentrant…
Computations have helped elucidate the dynamics of Earth's mantle for several decades already. The numerical methods that underlie these simulations have greatly evolved within this time span, and today include dynamically changing and…
Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar,…
This paper presents two-fluid simulations of forced magnetic reconnection with finite electron inertia in a collisionless three-dimensional (3D) cube with periodic boundaries in all three directions. Comparisons are made to analogous…
Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and…