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  Bulk nanocrystalline gamma magnesium hydride with low dehydrogenation temperature stabilized by plastic straining via high-pressure torsion

Edalati, K., Kitabayashi, K., Ikeda, Y., Matsuda, J., Li, H.-W., Tanaka, I., et al. (2018). Bulk nanocrystalline gamma magnesium hydride with low dehydrogenation temperature stabilized by plastic straining via high-pressure torsion. Scripta Materialia, 157, 54-57. doi:10.1016/j.scriptamat.2018.07.043.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-1B6B-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-1B6C-8
Genre: Journal Article

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 Creators:
Edalati, Kaveh1, 2, Author              
Kitabayashi, Kouki1, Author              
Ikeda, Yuji3, Author              
Matsuda, Junko2, Author              
Li, Hai-Wen2, 4, 5, Author              
Tanaka, Isao6, Author              
Akiba, Etsuo2, Author              
Horita, Zenji1, 2, Author              
Affiliations:
1Department of Materials Science and Engineering, Faculty of Engineering, Kyushu University, Fukuoka, Japan, persistent22              
2WPI, International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, Fukuoka, Japan, persistent22              
3Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
4International Research Center for Hydrogen Energy, Kyushu University, Fukuoka, Japan, persistent22              
5Kyushu University Platform of Inter/Transdisciplinary Energy Research, Fukuoka, Japan, persistent22              
6Department of Materials Science and Engineering, Kyoto University, Kyoto, 606-8501, Japan, persistent22              

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Free keywords: Binding energy; Calculations; Crystal structure; Dehydrogenation; Density functional theory; Hydrides; Hydrogen storage; Nanocrystals; Phase transitions; Plastic deformation; Strain; Thermodynamic stability; Torsional stress, High pressure torsions; Magnesium hydride; Orthorhombic phase; Phonon calculation; Plastic straining; Severe plastic deformations; Tetragonal structure; Ultrafine grained materials, Magnesium compounds
 Abstract: MgH2 with the α tetragonal structure was plastically strained using the high-pressure torsion (HPT) method and fully transformed to a nanonocrystalline γ orthorhombic phase with increasing the strain. The formation of nanocrystalline high-pressure γ phase resulted in decreasing the dehydrogenation temperature by 80 K. First-principles phonon calculations showed that both α and γ phases are dynamically stable, but the γ phase with the ionic binding has weaker hydrogen binding energy and accordingly lower dehydrogenation temperature. This study confirms the significance of crystal structure on thermal stability of hydrides for hydrogen storage applications. © 2018 Acta Materialia Inc.

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Language(s): eng - English
 Dates: 2018-12
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1016/j.scriptamat.2018.07.043
BibTex Citekey: Edalati201854
 Degree: -

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Title: Scripta Materialia
  Abbreviation : Scripta Mater.
Source Genre: Journal
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Publ. Info: Amsterdam : Elsevier B. V.
Pages: - Volume / Issue: 157 Sequence Number: - Start / End Page: 54 - 57 Identifier: ISSN: 1359-6462
CoNE: /journals/resource/954926243506