Theoretical and Experimental Studies of Al-Impurity Effect on the Hydrogenation Behavior of Mg; Materials; Vol. 15, iss. 22

Theoretical and Experimental Studies of Al-Impurity Effect on the Hydrogenation Behavior of Mg; Materials; Vol. 15, iss. 22

Detaylı Bibliyografya
Parent link:	Materials Vol. 15, iss. 22.— 2022.— [8126, 12 p.]
Müşterek Yazar:	Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Diğer Yazarlar:	Lyu Jinzhe, Elman R. R. Roman Romanovich, Svyatkin L. A. Leonid Aleksandrovich, Kudiyarov V. N. Victor Nikolaevich
Özet:	Title screen In this paper, we study the influence of hydrogen concentration on the binding energies in magnesium hydrides. The impact of aluminum atom addition on the hydrogenation behavior of magnesium was theoretically and experimentally defined. Doping Al into the Mg lattice allows the uniform hydrogen distribution in both the fcc and bcc Mg lattice at a low hydrogen concentration (H:Mg < 0.875) to be more energetically favorable. In addition, this leads to bcc Mg lattice formation with a uniform hydrogen distribution, which is more energetically favorable than the fcc Mg lattice when the atomic ratio H:Mg is near 0.875. In addition, compared with the pure Mg, in the Al-doped Mg, the phase transition from the hcp to the fcc structure with a uniform distribution of H atoms induces less elastic strain. Thus, the uniform hydrogen distribution is more favorable, leading to faster hydrogen absorption. Pure magnesium is characterized by cluster-like hydrogen distribution, which decreases the hydrogen diffusion rate. This leads to the accumulation of a higher hydrogen concentration in magnesium with aluminum compared with pure magnesium under the same hydrogenation regimes, which is confirmed experimentally.
Dil:	İngilizce
Baskı/Yayın Bilgisi:	2022
Konular:	электронный ресурс труды учёных ТПУ magnesium aluminum impurity magnesium hydride thin film hydrogen first-principle calculations магний алюминий примеси гидрид магния тонкие пленки водород
Online Erişim:	http://earchive.tpu.ru/handle/11683/74815 https://doi.org/10.3390/ma15228126
Materyal Türü:	Elektronik Kitap Bölümü
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668418

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