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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 effect of pressure on the room temperature solubility of hydrogen in Zircaloy-4 was examined using synchrotron X-ray diffraction on small ground flake samples in a diamond anvil cell at pressures up to 20.9 GPa. Different combinations…

Materials Science · Physics 2019-09-04 H. E. Weekes , D. Dye , J. E. Proctor , D. S. Smith , C. Simionescu , T. J. Prior , M. R. Wenman

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…

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

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

Hydrogen diffusion is critical to the performance of metals for hydrogen storage as well as other important applications. As compared to its crystalline counterpart which follows the Arrhenius relation, hydrogen diffusion in amorphous…

Materials Science · Physics 2023-10-25 Chunguang Tang , Gang Sun , Yun Liu

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

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

The efficiency of silicon solar cells gradually decreases in various environments, with humidity being a key factor contributing to this decline through moisture-induced degradation (MID) involving multiple mechanisms including encapsulant…

Materials Science · Physics 2026-03-13 Bo Li , Feifei Zhang , Yu Pang , Jinyu Hu , Huiyan Zhao , Guocai Liu , Chao He , Xingtao An

In the perspective of long term geological storage, high level nuclear wastes will be overpacked in low carbon steel containers. In that context, we have studied the influence of oxygen dissolved in water on iron corrosion. Therefore,…

Garnet has been widely used to decipher the pressure-temperature-time history of rocks, but its physical properties such as elasticity and diffusion are strongly affected by trace amounts of hydrogen. Experimental measurements of H…

Materials Science · Physics 2025-02-17 Xin Zhong , Felix Höfling , Timm John

The effect of solute hydrogen on the stability of vacancy clusters in hexagonal closed packed zirconium is investigated with an ab initio approach, including contributions of H vibrations. Atomistic simulations within the density functional…

Materials Science · Physics 2015-09-29 Céline Varvenne , Olivier Mackain , Laurent Proville , Emmanuel Clouet

We report the effects of radiation damage on helium diffusion in zircon using data from molecular dynamics simulations. We observe an increase in activation energy for helium diffusion as a result of radiation damage and increasing…

Materials Science · Physics 2021-09-01 Aaron Diver , Oliver Dicks , Alin Elena , Ilian Todorov , Thorstern Geisler , Kostya Trachenko

We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under thermal equilibrium. Oxygen vacancy formation acting as a shallow, double-electronic donor is…

Materials Science · Physics 2018-06-06 Misha Sinder , Zeev Burshtein , Joshua Pelleg

Migration of hydrogen and hydride formation under thermal gradient leads to hydrogen redistribution in certain metals. These metals include zirconium, titanium, hafnium and their alloys with tendency to form hydrides. A computational method…

Materials Science · Physics 2026-01-01 K. A. Forsberg , A. R. Massih

It is generally assumed that oxygen potential in a thin oxide electrolyte follows a linear distribution between electrodes. Jacobsen and Mogensen have shown, however, that this is not the case for thin zirconia membranes in solid oxide…

Materials Science · Physics 2020-05-18 Yanhao Dong , I-Wei Chen

The paper presents the first-principle calculation of the electron-phonon coupling and the temperature dependence of the intrinsic electrical resistivity of the zirconium-hydrogen system with various hydrogen concentrations. The nature of…

Materials Science · Physics 2019-05-30 Qicheng Tang , L. A. Svyatkin , I. P. Chernov

The influence of hydrogen on dislocation junctions was analysed by incorporating a hydrogen dependent core force into nodal based discrete dislocation dynamics. Hydrogen reduces the core energy of dislocations, which reduces the magnitude…

Materials Science · Physics 2020-04-08 Haiyang Yu , Ivaylo H. Katzarov , Anthony T. Paxton , Alan C. F. Cocks , Edmund Tarleton

Oxyhydrides represent a new class of functional materials, yet the synthesis of dense polycrystals or single-crystals suitable for transport studies remains a significant challenge due to hydrogen desorption at elevated temperatures. The…

A continuum model for calculating the time-dependent hydrogen pickup fractions in various Zirconium alloys under steam and pressured water oxidation has been developed in this study. Using only one fitting parameter, the effective hydrogen…

Materials Science · Physics 2017-04-26 Xing Wang , Ming-Jie Zheng , Izabela Szlufarska , Dane Morgan
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