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The development of reversible hydrogen storage materials has become crucial for enabling carbon-neutral energy systems. Based on this, the present work investigates the hydrogen storage on the sodium-decorated P-C$_3$N (Na@P-C$_3$N), a…
Hydraulic stimulation of geothermal reservoirs in low-permeability basement and crystalline igneous rock can enhance permeability by reactivation and shear dilation of existing fractures. The process is characterized by interaction between…
Air-permeable porous media hosts air within their pores. Upon removal from the interior of the material, these porous media have the tendency to reabsorb air from the surrounding, acting as a suction pump. Therefore, the technique used to…
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…
A hybrid numerical model previously developed for combustion simulations is extended in this article to describe flame propagation and stabilization in porous media. The model, with a special focus on flame/wall interaction processes, is…
Maintaining a comfortable temperature inside a building requires appropriate thermal insulation of windows, which can be optimised iteratively with numerical simulation. Smoothed particle hydrodynamics(SPH) is a fully Lagrangian method…
We present a highly accurate numerical method based on a boundary integral formulation and the leaky dielectric model to study the dynamics of surfactant-covered drops in the presence of an applied electric field. The method can simulate…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Dielectric barrier discharge (DBD) plasma is used for various applications. DBD is also one of the most efficient and low-cost methods for active fluid flow control. In this study, a detailed physical model of DBD in atmospheric pressure at…
In a fusion reactor internally coated with liquid metal, it will be important to diagnose the thickness of the liquid at various locations in the vessel, as a function of time, and possibly respond to counteract undesired bulging or…
We investigate steam condensation induced water hammer (CIWH) phenomena and present new theoretical results. We use the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface…
The present study addresses the reaction zone structure and burning mechanism of unstable detonations. Experiments investigated mainly two-dimensional methane-oxygen cellular detonations in a thin channel geometry. The sufficiently high…
We present TDS Simulator, a new software tool aimed at modelling thermal desorption spectroscopy (TDS) experiments. TDS is a widely used technique for quantifying key characteristics of hydrogen-material interactions, such as diffusivity…
Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…
We present a mathematical formulation of a multiscale model for solidification with convective flow in the liquid phase. The model is an extension of the dendritic needle network approach for crystal growth in a binary alloy. We propose a…
A custom apparatus designed to isolate and replicate the spreading process of metal powder in additive manufacturing demonstrates a sudden and unexplained increase in packing density beyond layers 5 to 10. We replicate the experiments that…
The study of multiphase flows in porous media is fundamental to various fields, including oil recovery, CO2 sequestration, hydrogeology, and others. Accurate predictions of fluid behavior in these systems can enhance process efficiency…
The process of formation for an ice crystal with elaborate, symmetrical patterns from the water vapor is usually complicated and the corresponding mechanism is still not clear. Here, we experimentally constructed the 3D tubular ice crystals…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
A promising option for storing large-scale quantities of green gases (e.g., hydrogen) is in subsurface rock salt caverns. The mechanical performance of salt caverns utilized for long-term subsurface energy storage plays a significant role…