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Computational models are used here for simulating diffusion-controlled redistribution of hydrogen that is picked up by zirconium-base nuclear fuel cladding during light water reactor operation. Axial localization of hydrogen, leading to…

Materials Science · Physics 2025-10-22 Lars O. Jernkvist , Ali R. Massih

The thermodynamics of H/{\alpha}-Zr solid solution and zirconium hydride phases were studied using density functional theory. Disorder in {\zeta}, {\gamma} and {\delta} hydrides and solid solutions were modelled using a statistically…

Materials Science · Physics 2015-04-01 S. C. Lumley , R. W. Grimes , S. T. Murphy , P. A. Burr , A. Chroneos , P. R. Chard-Tucke , M. R. Wenman

Zirconium alloys are used as nuclear fuel cladding material due to their mechanical and corrosion resistant properties together with their favorable cross-section for neutron scattering. At running conditions, however, there will be an…

Materials Science · Physics 2017-10-25 Jakob Blomqvist , Johan Olofsson , Anna-Maria Alvarez , Christina Bjerkén

One of the main degradation mechanisms of the zirconium alloys used in nuclear reactors is hydrogen embrittlement and hydride formation. The formation of zirconium hydrides is accompanied by a transformation strain, the effects of which on…

Materials Science · Physics 2023-09-28 Masoud Taherijam , Saiedeh Marashi , Alireza Tondro , Hamidreza Abdolvand

We develop a one-dimensional mathematical model for the loading process of hydrogen in a metal hydride tank. The model describes the evolution of the density and pressure of the hydrogen gas, the temperature of the tank, the averaged…

Materials Science · Physics 2025-07-31 Francesc Font , Attila Husar , Tim Myers , Maria Aguareles , Esther Barrabés

A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…

Mathematical Physics · Physics 2013-09-13 Tomas Roubicek , Giuseppe Tomassetti

The long-term safety of water-based nuclear reactors relies in part on the reliability of zirconium-based nuclear fuel. Yet the progressive ingress of hydrogen during service makes zirconium alloys subject to delayed hydride cracking. Here,…

Zirconium alloys are widely used in the nuclear industry because of their high strength, good corrosion resistance and low neutron absorption cross-section. However, zirconium has strong affinity for hydrogen which leads to hydrogen…

Materials Science · Physics 2014-08-21 T. Maimaitiyili , A. Steuwer , J. Blomquist , B. Matthew , Z. Olivier , J. Andrieux , C. Bjerken , R. Fabienne

The interaction of hydrogen and metals continues to be industrially relevant and is a critical part of creating and supporting a safety case for nuclear reactor operation. In the present work, we explore hydrogen storage and hydride…

Materials Science · Physics 2021-09-24 Wenjun Lu , Paraskevas Kontis , Siyang Wang , Ruth Birch , Mark Wenman , Baptiste Gault , T. Ben Britton

The reported diffusion constants for hydrogen in silicon vary over six orders of magnitude. This spread in measured values is caused by the different concentrations of defects in the silicon that has been studied. Hydrogen diffusion is…

In recent years, metal hydride research has become one of the driving forces of the high-pressure community, as it is believed to hold the key to superconductivity close to ambient temperature. While numerous novel metal hydride compounds…

Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a…

The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures, which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the…

Chemical Physics · Physics 2016-02-25 V. T. Shvets

Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising route towards emergent properties such as the Wigner-Huntington metallization, superconductivity, and superfluidity. Here we report a study…

Materials Science · Physics 2022-06-27 Jianqing Guo , Bingqing Cheng , Limei Xu , Enge Wang , Ji Chen

Metal hydrides are critical materials in numerous technologies including hydrogen storage, gas separation, and electrocatalysis. Here, using Pd-H as a model metal hydride, we perform electrochemical insertion studies of hydrogen via liquid…

Materials Science · Physics 2018-08-07 Jesse D. Benck , Ariel Jackson , David Young , Daniel Rettenwander , Yet-Ming Chiang

Thermomigration is the driving force for hydrogen transport due to a temperature gradient. It can compete with hydrogen transport induced by stress gradients. While stress-driven hydrogen migration is well established, thermomigration…

Materials Science · Physics 2026-03-23 Daniel J. Long , Edmund Tarleton , Alan C. F. Cocks , Felix Hofmann

A simple physical conception explaining the experimentally observed temperature dependence of the local mode frequencies in the ordering metal hydrides is proposed. Calculations are performed for bcc vanadium deuterides. The model can be…

Materials Science · Physics 2009-05-19 I. G. Ratishvili , N. Z. Namoradze

The integrity of irradiated zirconium based nuclear fuel cladding is related to the precipitation of hydrides which is closely connected with the solubility of hydrogen. A review on the development of measurement technologies is given and…

Materials Science · Physics 2018-09-17 Peter Kaufholz , Maik Stuke , Felix Boldt , Marc Péridis

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

A model for precipitation of the plate-shaped second-phase under applied stress is presented. The precipitates in the matrix-precipitate system are represented by their local volume fraction and an orientation parameter that defines the…

Materials Science · Physics 2009-07-02 Ali R. Massih , Lars O. Jernkvist
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