2020年10月1日
Hydrogen Trapping in Mg₂Si and Al₇FeCu₂ Intermetallic Compounds in Aluminum Alloy : First-Principles Calculations
MATERIALS TRANSACTIONS
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- 巻
- 61
- 号
- 10
- 開始ページ
- 1907
- 終了ページ
- 1911
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.2320/matertrans.mt-m2020201
- 出版者・発行元
- 公益社団法人 日本金属学会
<p>From first-principles calculations, we estimated the trapping energy of hydrogen atom at the interstitial site of perfect crystals of Mg2Si and Al7FeCu2 intermetallic compounds in the aluminum matrix. We found that Al7FeCu2 trapped hydrogen atoms strongly, whereas Mg2Si did not. The highest trapping energy in Al7FeCu2 is 0.56 eV/atom. We also found that the density of hydrogen trapping can be increased up to about 13 atoms/nm3 while keeping high trapping energy of about 0.40 eV/atom. We inferred that the Al7FeCu2 phase might remove hydrogen from the aluminum matrix, hence, preventing hydrogen embrittlement of aluminum alloy.</p>
- リンク情報
- ID情報
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- DOI : 10.2320/matertrans.mt-m2020201
- ISSN : 1345-9678
- eISSN : 1347-5320
- CiNii Articles ID : 130007907488
- CiNii Books ID : AA1151294X