Related papers: A COMSOL framework for predicting hydrogen embritt…
Simulating 2D flow in fractured crystalline rock requires 2D stochastic discrete-fracture matrix (DFM) models. To obtain the simulation statistics of interest at an affordable computational cost, we aim to use the multilevel Monte Carlo…
Hydrogen (H) induced damage in metals has been a long-standing woe for many industrial applications. One form of such damage is linked to H clustering, for which the atomic origin remains contended, particularly for non-hydride forming…
We investigate the effect of hydrogen on the mobility of a screw dislocation in body-centered cubic (bcc) iron using first-principles calculations, and show that an increase of screw dislocation velocity is expected for a limited…
Phase-field fracture models provide a powerful approach to modeling fracture, potentially enabling the unguided prediction of crack growth in complex patterns. To ensure that only tensile stresses and not compressive stresses drive crack…
We introduce a multi-tasking graph convolutional neural network, HydraGNN, to simultaneously predict both global and atomic physical properties and demonstrate with ferromagnetic materials. We train HydraGNN on an open-source ab initio…
The geological storage of hydrogen (H_2) requires reliable long-term caprock sealing, yet the nanoscale interactions between H_2 and clay minerals remain critically underexplored despite their importance for storage security. This lack of…
An estimate of the effective toughness of heterogeneous materials is proposed based on the Phase Field Fracture model implemented in an FFT homogenization solver. The estimate is based on the simulation of the deformation of representative…
Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites through polyhedral tessellation and first-principles…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
Hydraulic fracturing is one of the key technologies for reservoir stimulation in low-permeability/unconventional oil and gas fields. In response to the high energy consumption and greenhouse gas emissions caused by extreme flow-limiting…
Accurate and reliable energy forecasting is essential for power grid operators who strive to minimize extreme forecasting errors that pose significant operational challenges and incur high intra-day trading costs. Incorporating planning…
The paper presents novel results, obtained on the basis of the modified theory of hydraulic fractures (HF). The theory underlines significance of the speed equation. When applied to numerical simulation of HF, the theory reveals three…
Hydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between…
High-manganese twinning-induced plasticity (TWIP) steels exhibit high strain hardening, high tensile strength, and high ductility, which make them attractive for structural applications. At low tensile strain rates, TWIP steels are prone to…
A recent alternative for hydrogen transportation as a mixture with natural gas is blending it into natural gas pipelines. However, hydrogen embrittlement of material is a major concern for scientists and gas installation designers to avoid…
We propose a new model to describe diffusion processes within active deformable media. Our general theoretical framework is based on physical and mathematical considerations, and it suggests to use diffusion tensors directly coupled to…
In this paper, a novel hybrid FEM and Peridynamic modeling approach proposed in Ni et al. (2020) is used to predict the dynamic solution of hydro-mechanical coupled problems. A modified staggered solution algorithm is adopted to solve the…
This paper explores the global Mode I fracture energy of a carbon fiber composite subject to a biaxial stress state at a crack tip, specifically in which one stress component is compressive and parallel to the crack. Based on an…
Crack fronts deform due to heterogeneities, and inspecting these deformations can reveal local variations of material properties, and help predict out of plane damage. Current models neglect the influence of a finite dissipation…
This work presents a fully physical model of the hydrogen diffusion and trapping kinetics in metals, integrating permeation and thermal desorption within a unified framework. Based on the McNabb and Foster approach, it requires only binding…