Related papers: Modeling and Simulation of Coupled Biochemical and…
This paper presents a novel methodology for modelling precipitation patterns in a specific geographical region using Hidden Markov Models (HMMs). Departing from conventional HMMs, where the hidden state process is assumed to be Markovian,…
Electrogenerated gas nanobubbles strongly influence the performance of electrochemical energy-conversion systems, yet their nucleation and early evolution remain poorly understood due to limitations of existing experimental and…
Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic properties of MoS2 thin films deposited on different substrates…
The partial differential equations describing immiscible, but soluble, carbon dioxide (CO2) displacement of brine are developed including local mass-transfer effects. Scaling relationships for characteristic time among laboratory and…
This paper introduces a high order numerical framework for efficient and robust simulation of compressible flows. To address the inefficiencies of standard hybridized discontinuous Galerkin (HDG) methods in large scale settings, we develop…
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)…
We present a new approach to simulating mixtures of gas and dust in smoothed particle hydrodynamics (SPH). We show how the two-fluid equations can be rewritten to describe a single-fluid 'mixture' moving with the barycentric velocity, with…
Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…
In this work a 1D finite volume based model using coupled meshes is introduced to capture potential and species distribution throughout the discharge process in a lithium bismuth liquid metal battery while neglecting hydrodynamic effects,…
We describe experimentally observed collective dynamics in colloidal suspensions of model hard-sphere particles using a modified mode coupling theory (MCT). This rescaled MCT is capable to describe quantitatively the wave-vector and…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
The diffuse medium in and around galaxies can exist in a multi-phase state: small, cold gas clouds contributing significantly to the total mass embedded in pressure equilibrium with a hotter, more diffuse volume-filling component. Modeling…
In this paper, we present a spatio-temporal mathematical model for simulating the formation and growth of a thrombus. Blood is treated as a multi-constituent mixture comprised of a linear fluid phase and a thrombus (solid) phase. The…
Developing solid-state hydrogen storage materials is as pressing as ever, which requires a comprehensive understanding of the dehydrogenation chemistry of a solid-state hydride. Transition state search and kinetics calculations are…
In this work, we present an extensive computational study on the Ziff-Gulari-Barshad (ZGB) model extended in order to include the spatial diffusion of oxygen atoms and carbon monoxide molecules, both adsorbed on the surface. In our…
Hydraulic stimulation is a critical process for increasing the permeability of fractured geothermal reservoirs. This technique relies on coupled hydromechanical processes induced by reservoir stimulation through pressurized fluid injection…
In reservoir simulation, solution of the coupled systems of nonlinear algebraic equations that are associated with fully-implicit (backward Euler) discretization is challenging. Having a robust and efficient nonlinear solver is necessary in…
Microbes are often discussed in terms of dichotomies such as copiotrophic/oligotrophic and fast/slow-growing microbes, defined using the characterisation of microbial growth in isolated cultures. The dichotomies are usually qualitative…
Thermoresponsive microgels are one of the most investigated class of soft colloids, thanks to their ability to undergo a Volume Phase Transition (VPT) close to ambient temperature. However, this fundamental phenomenon still lacks a detailed…
Super-thermal gas giant planets or their progenitor cores are known to open deep gaps in protoplanetary disks, which stop large, drifting dust particles on their way to the inner disk. The possible separation of the disk into distinct…