Dopant binding with vacancies and helium in metal hydrides

Kaczmarowski, Amy; Snow, Clark; Foiles, Stephen; Battaile, Corbett; Morgan, Dane

doi:10.1016/j.jnucmat.2021.153437

Title: Dopant binding with vacancies and helium in metal hydrides

Journal Article · 31 January 2022 · Journal of Nuclear Materials

DOI: https://doi.org/10.1016/j.jnucmat.2021.153437 · OSTI ID:1868714

Kaczmarowski, Amy; Snow, Clark; Foiles, Stephen; Battaile, Corbett; Morgan, Dane

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Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003525

OSTI ID:: 1868714

Journal Information:: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Journal Issue: C Vol. 559; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: Netherlands

Language:: English

References (37)

Schaltbare Spiegel aus Metallhydriden Griessen, R. Physik Journal, Vol. 53, Issue 12 https://doi.org/10.1002/phbl.19970531210	journal	December 1997
The growth of crystals of erbium hydride Grimshaw, J. A.; Spooner, F. J.; Wilson, C. G. Journal of Materials Science, Vol. 16, Issue 10 https://doi.org/10.1007/BF02402850	journal	October 1981
Microstructure and thermomechanical pretreatment effects on creep behaviour of helium-implanted DIN 1·4970 austenitic stainless steel Matta, M. K.; Kesternich, W. Bulletin of Materials Science, Vol. 13, Issue 5 https://doi.org/10.1007/BF02745034	journal	December 1990
Structure, catalysis and atomic reactions on the nano-scale: a systematic approach to metal hydrides for hydrogen storage Zaluska, A.; Zaluski, L.; Ström-Olsen, J. O. Applied Physics A Materials Science & Processing, Vol. 72, Issue 2 https://doi.org/10.1007/s003390100783	journal	February 2001
91Zr NMR in non-stoichiometric zirconium hydrides, ZrHx (1.55 ⩽ x ⩽ 2) Niedźwiedź, K.; Nowak, B.; żogał, O. J. Journal of Alloys and Compounds, Vol. 194, Issue 1 https://doi.org/10.1016/0925-8388(93)90643-2	journal	April 1993
Adjustable magnetic interactions: the use of hydrogen as a tuning agent Hjörvarsson, B.; Chacon, C.; Zabel, H. Journal of Alloys and Compounds, Vol. 356-357 https://doi.org/10.1016/S0925-8388(03)00168-3	journal	August 2003
Electrochromic metal hydrides Notten, Peter HL Current Opinion in Solid State and Materials Science, Vol. 4, Issue 1 https://doi.org/10.1016/S1359-0286(99)80004-7	journal	February 1999
Ab initio study of helium behavior in titanium tritides Liang, J. H.; Dai, Y. Y.; Yang, L. Computational Materials Science, Vol. 69 https://doi.org/10.1016/j.commatsci.2012.11.033	journal	March 2013
The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion Mayeshiba, Tam; Wu, Henry; Angsten, Thomas Computational Materials Science, Vol. 126 https://doi.org/10.1016/j.commatsci.2016.09.018	journal	January 2017
Effect of Fe and C doping on the thermal release of helium from aluminum Xiang, X.; Chen, C. A.; Liu, K. Z. Fusion Engineering and Design, Vol. 85, Issue 10-12 https://doi.org/10.1016/j.fusengdes.2010.08.006	journal	December 2010
Metal hydride materials for solid hydrogen storage: A review☆ Sakintuna, B.; Lamaridarkrim, F.; Hirscher, M. International Journal of Hydrogen Energy, Vol. 32, Issue 9 https://doi.org/10.1016/j.ijhydene.2006.11.022	journal	June 2007
Effects of Y on helium behavior in Ti–Y alloy films Zhang, Jinchao; Wu, Erdong; Liu, Shi Journal of Nuclear Materials, Vol. 454, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.07.065	journal	November 2014
Overview of energy/hydrogen storage: state-of-the-art of the technologies and prospects for nanomaterials Conte, M.; Prosini, P. P.; Passerini, S. Materials Science and Engineering: B, Vol. 108, Issue 1-2 https://doi.org/10.1016/j.mseb.2003.10.107	journal	April 2004
Gold might slow down the growth of helium bubble in iron Hao, W.; Geng, W. T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 269, Issue 12 https://doi.org/10.1016/j.nimb.2011.04.007	journal	June 2011
Impeding effect of Ce on He bubble growth in bcc Fe Hao, W.; Geng, W. T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 280 https://doi.org/10.1016/j.nimb.2012.02.027	journal	June 2012
CRYSTAL STRUCTURES OF SOME LANTHANIDE HYDRIDES ¹ Pebler, A.; Wallace, W. E. The Journal of Physical Chemistry, Vol. 66, Issue 1 https://doi.org/10.1021/j100807a033	journal	January 1962
Materials for Hydrogen Storage: Past, Present, and Future Jena, Puru The Journal of Physical Chemistry Letters, Vol. 2, Issue 3 https://doi.org/10.1021/jz1015372	journal	January 2011
Yttrium and lanthanum hydride films with switchable optical properties Huiberts, J. N.; Griessen, R.; Rector, J. H. Nature, Vol. 380, Issue 6571 https://doi.org/10.1038/380231a0	journal	March 1996
Thin film metal hydrides for hydrogen storage applications Baldi, Andrea; Dam, Bernard J. Mater. Chem., Vol. 21, Issue 12 https://doi.org/10.1039/C0JM03249B	journal	January 2011
Propriétés électroniques des hydrures des systèmes Ti-H et Zr-H Ducastelle, F.; Caudron, R.; Costa, P. Journal de Physique, Vol. 31, Issue 1 https://doi.org/10.1051/jphys:0197000310105700	journal	January 1970
Optical switches based on magnesium lanthanide alloy hydrides van der Sluis, P.; Ouwerkerk, M.; Duine, P. A. Applied Physics Letters, Vol. 70, Issue 25 https://doi.org/10.1063/1.119169	journal	June 1997
First principles site occupation and migration of hydrogen, helium, and oxygen in β-phase erbium hydride Wixom, R. R.; Browning, J. F.; Snow, C. S. Journal of Applied Physics, Vol. 103, Issue 12 https://doi.org/10.1063/1.2940134	journal	June 2008
Development of bubble microstructure in ErT2 films during aging Bond, Gillian M.; Browning, James F.; Snow, Clark S. Journal of Applied Physics, Vol. 107, Issue 8 https://doi.org/10.1063/1.3359653	journal	April 2010
Solid‐state sensors for trace hydrogen gas detection Christofides, Constantinos; Mandelis, Andreas Journal of Applied Physics, Vol. 68, Issue 6, p. R1-R30 https://doi.org/10.1063/1.346398	journal	September 1990
Progress on first-principles-based materials design for hydrogen storage Park, N.; Choi, K.; Hwang, J. Proceedings of the National Academy of Sciences, Vol. 109, Issue 49 https://doi.org/10.1073/pnas.1217137109	journal	November 2012
First-principles investigations of transition metal dihydrides, TH ₂ : T = Sc, Ti, V, Y, Zr, Nb; energetics and chemical bonding Wolf, Walter; Herzig, Peter Journal of Physics: Condensed Matter, Vol. 12, Issue 21 https://doi.org/10.1088/0953-8984/12/21/301	journal	May 2000
Mechanical properties of metal dihydrides Schultz, Peter A.; Snow, Clark S. Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 3 https://doi.org/10.1088/0965-0393/24/3/035005	journal	February 2016
Vibration analysis of hydrogen, deuterium and tritium in metals: consequences on the isotope effect Bourgeois, Natacha; Crivello, Jean-Claude; Cenedese, Pierre Journal of Physics: Condensed Matter, Vol. 30, Issue 33 https://doi.org/10.1088/1361-648X/aad259	journal	July 2018
Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures Angsten, Thomas; Mayeshiba, Tam; Wu, Henry New Journal of Physics, Vol. 16, Issue 1 https://doi.org/10.1088/1367-2630/16/1/015018	journal	January 2014
Ab initio study of H and He migrations in β-phase Sc, Y, and Er hydrides Chen, Ru-Cheng; Yang, Li; Dai, Yun-Ya Chinese Physics B, Vol. 21, Issue 5 https://doi.org/10.1088/1674-1056/21/5/056601	journal	May 2012
Hydrogen ordering and metal-semiconductor transitions in the system YH 2 + x Daou, J. N.; Vajda, P. Physical Review B, Vol. 45, Issue 19 https://doi.org/10.1103/PhysRevB.45.10907	journal	May 1992
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Consequences of helium production from the radioactive decay of tritium on the properties of palladium tritide Gupta, Raju P.; Gupta, Michèle Physical Review B, Vol. 66, Issue 1 https://doi.org/10.1103/PhysRevB.66.014105	journal	July 2002
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Thermocrystallography of higher hydrides of titanium and zirconium Yakel, H. L. Acta Crystallographica, Vol. 11, Issue 1 https://doi.org/10.1107/S0365110X58000098	journal	January 1958
Metal hydrides for smart window and sensor applications Yoshimura, K.; Langhammer, C.; Dam, B. MRS Bulletin, Vol. 38, Issue 6 https://doi.org/10.1557/mrs.2013.129	journal	June 2013

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