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We investigate the influence of microstructural traps on hydrogen diffusion and embrittlement in the presence of cyclic loads. A mechanistic, multi-trap model for hydrogen transport is developed, implemented into a finite element framework,…

Materials Science · Physics 2020-08-13 Rebeca Fernández-Sousa , Covadonga Betegón , Emilio Martínez-Pañeda

Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…

Materials Science · Physics 2026-01-12 Bhanuj Jain , Alaa Olleak , Junyan He , Adarsh Chaurasia , Davide Di Stefano

Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…

Homogenization is a technique for the analysis of complex materials by replacing them with equivalent homogeneous materials that exhibit similar properties. By constructing a three-dimensional (3D) porous material model and employing…

Applied Physics · Physics 2024-07-16 Anna Stepashkina , Fuguang Chen , Lipeng Chen

We investigate interface failure of model materials representing architected thin films in contact with heterogeneous substrates. We find that, while systems with statistically isotropic distributions of impurities derive their fracture…

Materials Science · Physics 2024-05-30 Christian Greff , Paolo Moretti , Michael Zaiser

When H, the lightest, smallest and most abundant atom in the universe, makes its way into a high-strength alloy (>650 MPa), the material's load-bearing capacity is abruptly lost. This phenomenon, known as H embrittlement, was responsible…

Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen…

Computational Engineering, Finance, and Science · Computer Science 2025-03-04 A. Díaz , J. M. Alegre , I. I. Cuesta , E. Martínez-Pañeda

Hydrogen embrittlement (HE) affects all major high-strength structural materials and as such is a major impediment to lightweighting e.g. vehicles and help reduce carbon-emissions and reach net-zero. The high-strength 7xxx series aluminium…

Hydrogen absorption significantly alters the mechanical properties of steel. However, absorbed hydrogen also influences its electronic and magneto-structural properties, helping to interpret how hydrogen is incorporated. This study…

We consider the problem of hydrogen storage integration in microgrids to improve the electricity supply resilience. Nonlinear effects from electrochemical models of electrolyzers and fuel cells for hydrogen storage are considered, making…

Systems and Control · Electrical Eng. & Systems 2023-11-23 Shreshtha Dhankar , Cong Chen , Lang Tong

A model has been developed which simulates the deformation of single crystal austenitic stainless steels and cap-tures the effects of hydrogen on stress corrosion cracking. The model is based on the crystal plasticity theory which relates…

Materials Science · Physics 2019-10-21 E. I. Ogosi , U. B. Asim , M. A. Siddiq , M. E. Kartal

Hydrogen embrittlement of metals and alloys, particularly steels, has been an important scientific and engineering challenge in the Oil and Gas industry for many years. It impacts the integrity and performance of a wide range of structures…

Computational Engineering, Finance, and Science · Computer Science 2024-08-29 Dakshina Murthy Valiveti , T. Neeraj

We investigate the influence of microstructural traps in hydrogen-assisted fatigue crack growth. To this end, a new formulation combining multi-trap stress-assisted diffusion, mechanism-based strain gradient plasticity and a hydrogen- and…

Materials Science · Physics 2022-04-15 R. Fernández-Sousa , C. Betegón , E. Martínez-Pañeda

We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts…

Materials Science · Physics 2022-07-18 A. Valverde-González , E. Martínez-Pañeda , A. Quintanas-Corominas , J. Reinoso , M. Paggi

We investigated the effect of dissolved hydrogen on the microstructure evolution of nanocrystalline silicon. Through molecular dynamics simulations we characterize the local and overall structural features of several hydrogenated samples by…

Mesoscale and Nanoscale Physics · Physics 2010-11-15 Giorgia Fugallo , Alessandro Mattoni , Luciano Colombo

Ever more stringent regulations on greenhouse gas emissions from transportation motivate efforts to revisit materials used for vehicles. High-strength Al-alloys often used in aircrafts could help reduce the weight of automobiles, but are…

The technology of lined rock cavern (LRC) with great geographical flexibility is a promising, cost-effective solution to underground hydrogen storage. However, the air-tight steel tanks used in this technology are susceptible to material…

Computational Physics · Physics 2025-03-13 Chenxi Zhao , Haiyang Yu , Zixin Zhang , Qinghua Lei

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…

Materials Science · Physics 2023-04-27 Heena Khanchandani , Dirk Ponge , Stefan Zaefferer , Baptiste Gault

Fossil-free ironmaking is indispensable for reducing massive anthropogenic CO2 emissions in the steel industry. Hydrogen-based direct reduction (HyDR) is among the most attractive solutions for green ironmaking, with high technology…

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…

Materials Science · Physics 2023-10-30 Grace M. Lu , Matthew Witman , Sapan Agarwal , Vitalie Stavila , Dallas R. Trinkle
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