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The electrochemical permeation test is one of the most used methods for characterising hydrogen diffusion in metals. The flux of hydrogen atoms registered in the oxidation cell might be fitted to obtain apparent diffusivities. The magnitude…

Materials Science · Physics 2019-12-06 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

The relative efficacy of electrochemical permeation (EP) and isothermal desorption spectroscopy (ITDS) methods for determining the hydrogen diffusivity is investigated using cold-rolled pure iron. The diffusivities determined from 13 first…

Chemical Physics · Physics 2022-10-05 A. Zafra , Z. Harris , E. Korec , E. Martínez-Pañeda

Hydrogen plays critical roles in materials science, particularly for advancing technologies in hydrogen storage and phase manipulation, while also posing challenges like hydrogen embrittlement. Understanding its behavior, vital for…

Materials Science · Physics 2025-07-28 Pengcheng Li , Chenglin Pua , Zehao Dong , Zhengxiong Su , Tao Liu , Chao Cai , Huahai Shen , Lin Gu , Zhen Chen

There is a need for numerical models capable of predicting local accumulation of hydrogen near stress concentrators and crack tips to prevent and mitigate hydrogen assisted fracture in steels. The experimental characterisation of trapping…

Applied Physics · Physics 2020-10-27 A. Díaz , A. Zafra , E. Martínez-Pañeda , J. M. Alegre , J. Belzunce , I. I. Cuesta

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

The diffusivity of hydrogen in cold-rolled pure iron is investigated using permeation and desorption methods. Electrochemical charging, electro-permeation and thermal desorption spectroscopy (TDS) experiments are conducted. Firstly, the…

Materials Science · Physics 2021-12-02 A. Zafra , Z. Harris , C. Sun , E. Martínez-Pañeda

The penetration of atomic hydrogen through defect-free graphene was generally predicted to have a barrier of at least several eV, which is much higher than the 1 eV barrier measured for hydrogen-gas permeation through pristine graphene…

Materials Science · Physics 2023-07-26 Wenqi Xiong , Weiqing Zhou , Pengzhan Sun , Shengjun Yuan

Hydrogen diffusion and trapping in ferritic steels containing (Ti,Cr)C particles was investigated using electrochemical permeation (EP) and thermal desorption spectroscopy (TDS). The trapping parameters for the test materials were evaluated…

Materials Science · Physics 2025-07-22 Nicholas Winzer

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 can result in a sudden failure in metallic materials, which is particularly harmful in industrially relevant alloys, such as steels. A more comprehensive understanding of hydrogen interactions with microstructural…

First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…

Materials Science · Physics 2011-06-03 J. Sanchez , J. Fullea , C. Andrade , P. L. de Andres

We investigate the optical properties of hydrogen as it undergoes a transition from the insulating molecular to the metallic atomic phase, when heated by a pulsed laser at megabar pressures in a diamond anvil cell. Most current experiments…

Materials Science · Physics 2016-04-20 N. Van den Broeck , F. Brosens , J. Tempere , I. F. Silvera

Characterization of the first ever laboratory produced metallic hydrogen sample relies on measurements of optical spectra. Here we present first-principles calculations of the reflectivity of hydrogen between 400 and 600 GPa in the…

Superconductivity · Physics 2018-02-07 Miguel Borinaga , Julen Ibañez-Azpiroz , Aitor Bergara , Ion Errea

Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are…

Materials Science · Physics 2019-09-04 Giovanni Rillo , Miguel A. Morales , David M. Ceperley , Carlo Pierleoni

Hydrogen at high temperature and pressure undergoes a phase transition from a liquid molecular phase to a conductive atomic state, or liquid metallic hydrogen, sometimes referred to as the plasma phase transition (PPT). The PPT phase line…

Materials Science · Physics 2019-10-30 Matthew Houtput , Jacques Tempere , Isaac F. Silvera

Hydrogen embrittlement mechanisms of steels have been studied for several decades. Understanding hydrogen diffusion behavior in steels is crucial towards both developing predictive models for hydrogen embrittlement and identifying…

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…

Materials Science · Physics 2025-09-23 Paolo Emilio Di Nunzio

We present a theoretical and numerical scheme that enables quantifying hydrogen ingress in metals for arbitrary environments and defect geometries. This is achieved by explicitly resolving the electrochemical behaviour of the electrolyte,…

Chemical Physics · Physics 2022-09-20 T. Hageman , E. Martínez-Pañeda

Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…

Chemical Physics · Physics 2020-08-03 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…

Chemical Physics · Physics 2024-05-17 Xing He , Mithun Ghosh , Ding-Shyue Yang
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