Theoretical and Experimental Studies of Al-Impurity Effect on the Hydrogenation Behavior of Mg
| Parent link: | Materials Vol. 15, iss. 22.— 2022.— [8126, 12 p.] |
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| Autor Corporativo: | |
| Outros Autores: | , , , |
| Resumo: | 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. |
| Publicado em: |
2022
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| Assuntos: | |
| Acesso em linha: | http://earchive.tpu.ru/handle/11683/74815 https://doi.org/10.3390/ma15228126 |
| Formato: | Recurso Electrónico Capítulo de Livro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668418 |
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| 200 | 1 | |a Theoretical and Experimental Studies of Al-Impurity Effect on the Hydrogenation Behavior of Mg |f Lyu Jinzhe, R. R. Elman, L. A. Svyatkin, V. N. Kudiyarov | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: 43 tit.] | ||
| 330 | |a 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. | ||
| 461 | |t Materials | ||
| 463 | |t Vol. 15, iss. 22 |v [8126, 12 p.] |d 2022 | ||
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a magnesium | |
| 610 | 1 | |a aluminum | |
| 610 | 1 | |a impurity | |
| 610 | 1 | |a magnesium hydride | |
| 610 | 1 | |a thin film | |
| 610 | 1 | |a hydrogen | |
| 610 | 1 | |a first-principle calculations | |
| 610 | 1 | |a магний | |
| 610 | 1 | |a алюминий | |
| 610 | 1 | |a примеси | |
| 610 | 1 | |a гидрид магния | |
| 610 | 1 | |a тонкие пленки | |
| 610 | 1 | |a водород | |
| 701 | 0 | |a Lyu Jinzhe |c physicist |c engineer of Tomsk Polytechnic University |f 1993- |3 (RuTPU)RU\TPU\pers\45439 | |
| 701 | 1 | |a Elman |b R. R. |c physicist |c Engineer of Tomsk Polytechnic University |f 1997- |g Roman Romanovich |3 (RuTPU)RU\TPU\pers\47123 | |
| 701 | 1 | |a Svyatkin |b L. A. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences |f 1988- |g Leonid Aleksandrovich |3 (RuTPU)RU\TPU\pers\34216 |9 17747 | |
| 701 | 1 | |a Kudiyarov |b V. N. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Technical Sciences |f 1990- |g Victor Nikolaevich |3 (RuTPU)RU\TPU\pers\30836 |9 15083 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Инженерная школа ядерных технологий |b Отделение экспериментальной физики |3 (RuTPU)RU\TPU\col\23549 |
| 801 | 0 | |a RU |b 63413507 |c 20230320 |g RCR | |
| 856 | 4 | |u http://earchive.tpu.ru/handle/11683/74815 | |
| 856 | 4 | |u https://doi.org/10.3390/ma15228126 | |
| 942 | |c CF | ||