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Hydrogen uptake into body-centered cubic (bcc) iron as a root cause for subsequent hydrogen embrittlement, is initiated at the surface. In this paper, we quantify how readily H diffuses from the surface into the bulk. We consider a set of…

Materials Science · Physics 2025-05-27 Lukas Meier , Asif I. Bhatti , Leo Kestens , Stefaan Cottenier

Various mechanisms have been proposed for hydrogen embrittlement, but the causation of hydrogen-induced material degradation has remained unclear. This work shows hydrogen embrittlement due to phase instability (decomposition). In-situ…

Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…

Materials Science · Physics 2020-02-05 Sytze de Graaf , Jamo Momand , Christoph Mitterbauer , Sorin Lazar , Bart J. Kooi

Hydrogen embrittlement can cause a dramatic deterioration of the mechanical properties of high-strength metallic materials. Despite decades of experimental and modelling studies, the exact underlying mechanisms behind hydrogen embrittlement…

Hydrogen embrittlement in metals (HE) is a serious challenge for the use of high strength materials in engineering practice and a major barrier to the use of hydrogen for global decarbonization. Here we describe the factors and variables…

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…

Materials Science · Physics 2016-02-24 Xiao Zhou , Daniel Marchand , David L. McDowell , Ting Zhu , Jun Song

Hydrogen-induced multi-spot corrosion on the surface of polycrystalline rare metals is a complex process, which involves the interactions between phases (metal, hydride and oxide), grain orientations, grain boundaries, and corrosion spots.…

Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrides. These behaviours were discovered in complex phase…

Hydrogen atoms absorbed by metals in the hydrogen-containing environments can lead to the premature fracture of the metal components used in load-bearing conditions. Since metals used in practice are mostly polycrystalline, grain boundaries…

Materials Science · Physics 2018-09-17 Liang Wan , Wen Tong Geng , Akio Ishii , Jun-Ping Du , Nobuyuki Ishikawa , Hajime Kimizuka , Shigenobu Ogata

The in-depth understanding of hydrogen permeation through plutonium-oxide overlayers is the prerequisite to evaluate the complex hydriding induction period of Pu. In this work, the incorporation, diffusion and dissolution of hydrogen in…

Materials Science · Physics 2020-02-17 Le Zhang , Bo Sun , Qili Zhang , Haifeng Liu , Kezhao Liu , Haifeng Song

Hafnium hydride is a promising material for next-generation nuclear reactors, particularly as control rods for fast fission and shielding in fusion systems. The material's intrinsic brittleness encourages its use in the form of…

Materials Science · Physics 2026-03-17 Di Wang , Catriona M McGilvery , James O Douglas , Siyang Wang

We used by in-situ high energy X-ray diffraction to inestigate the deformation behavior of Grade 2 commercially pure titanium that was hydrogen charged to form hydrides. The results showed that the peak broadening in the diffraction…

Materials Science · Physics 2022-01-26 Qing Tan , Zhiran Yan , Runguang Li , Yang Ren , Yandong Wang , Baptiste Gault , Stoichko Antonov

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 discovery of effective hydrogen storage materials is fundamental for the progress of a clean energy economy. Ammonia borane ($\mathrm{H_3BNH_3}$) has attracted great interest as a promising candidate but the reaction path that leads…

Chemical Physics · Physics 2019-01-30 Valerio Rizzi , Daniela Polino , Emilia Sicilia , Nino Russo , Michele Parrinello

Uranium is considered as a very important nuclear energy material because of the huge amount of energy released. As the main products of spontaneous decay of uranium, helium is difficult to react with uranium for its chemical inertness.…

Materials Science · Physics 2024-07-23 Ye Cao , Hongxing Song , Xiaozhen Yan , Hao Wang , Yufeng Wang , Fengchao Wu , Leilei Zhang , Qiang Wu , Hua Y. Geng

Investigating atom-surface interactions is the key to an in-depth understanding of chemical processes at interfaces, which are of central importance in many fields -- from heterogeneous catalysis to corrosion. In this work, we present a…

Chemical Physics · Physics 2023-12-18 Martin Liebetrau , Yvonne Dorenkamp , Oliver Bünermann , Jörg Behler

The aim of the present work is to introduce a thermodynamic model to describe the growth of an oxide layer on a metallic substrate. More precisely, this paper offers a study of oxygen dissolution into a solid, and its consequences on the…

Chemical Physics · Physics 2009-09-15 Nicolas Creton , Virgil Optasanu , Tony Montesin , Sébastien Garruchet , Lionel Desgranges

The observable results for desorption kinetics by powder of metal hydride on the example of mangesium hydride are reproduced with the model formulated in terms of specific surface of powder. A volumetric measurement of hydrogen desorption…

Chemical Physics · Physics 2014-07-17 I. V. Drozdov

Steel is a key structural material because of its considerable strength and ductility. However, when exposed to hydrogen, it is prone to embrittlement. Mechanistic understanding of the origin of hydrogen embrittlement is hampered by the…

Materials Science · Physics 2025-12-16 Aleksei Egorov , Lei Zhang , Erik van der Giessen , Francesco Maresca

Prediction of hydrogen embrittlement requires a robust modelling approach and this will foster the safe adoption of hydrogen as a clean energy vector. A generalised computational model for hydrogen embrittlement is here presented, based on…

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