Related papers: A COMSOL framework for predicting hydrogen embritt…
Wellbore cooldown is often employed before well stimulation and/or hydraulic fracture stress testing in EGS and high temperature petroleum reservoirs. The thermo-elastic stress resulting from heat conduction during the cooling activity can…
Hydrogen is a promising energy carrier, yet its practical deployment is limited by the lack of storage materials that simultaneously achieve high storage capacity ($w$) and practical equilibrium pressure at room temperature ($P_{\rm…
We propose a decomposition of constitutive relations into crack-driving and persistent portions, specifically designed for materials with anisotropic/orthotropic behavior in the phase field approach to fracture to account for the…
Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…
The understanding of sliding friction for wet, patterned surfaces from first principles is challenging. While emerging applications have sought design principles from biology, a general framework is lacking because soft interfaces…
Accurate vessel trajectory prediction is essential for enhancing situational awareness and preventing collisions. Still, existing data-driven models are constrained mainly to single-vessel forecasting, overlooking vessel interactions,…
Intermetallic compounds such as {A$_{2}$B$_{7}$} alloys are promising candidates for mobile hydrogen storage applications due to their high and reversible hydrogen absorption capacity. We compute the absorption isotherm of…
Real-world physical systems, like composite materials and porous media, exhibit complex heterogeneities and multiscale nature, posing significant computational challenges. Computational homogenization is useful for predicting macroscopic…
The presence of hydrogen traps within a metallic alloy influences the rate of hydrogen diffusion. The electro-permeation (EP) test can be used to assess this: the permeation of hydrogen through a thin metallic sheet is measured by suitable…
We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the importance of nuclear quantum effects on equilibrium…
The effect of interstitial hydrogen on the elastic properties of $\alpha$-iron is investigated using \textit{ab initio} density functional theory. We find that while the overall strength properties are reduced by H, the effects are mainly…
Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…
To obtain the probability distribution of 2D crack patterns in mesoscopic regions of a disordered solid, the formalism of Paper I requires that a functional form associating the crack patterns (or states) to their formation energy be…
Soft materials including elastomers and gels are pervasive in biological systems and technological applications. Whereas it is known that intrinsic fracture energies of soft materials are relatively low, how the intrinsic fracture energy…
Chloride-induced corrosion significantly contributes to the degradation of reinforced concrete structures, making accurate predictions of chloride migration and its effects on material durability critical. This paper explores two modeling…
Room temperature superconductivity remains elusive, and hydrogen-base compounds despite remarkable transition temperatures(Tc) typically require extreme pressures that hinder application. To accelerate discovery under moderate pressures, an…
Pipeline transport of dense-phase CO2-rich mixtures is a crucial component in carbon capture and storage (CCS). Accurate modeling requires coupling of fluid dynamics and thermodynamics, especially during transient events such as…
Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…
The transient dimensional changes during \textit{hygro}-expansion and \textit{hydro}-expansion of freely and restrained dried, softwood and hardwood sheets and fibers is monitored, to unravel the governing micro-mechanisms occurring during…