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Stability, mechanical and surface properties for hydride of intermetallic L12-Al3Zr
- Source :
- Journal of Materials Research and Technology, Vol 30, Iss , Pp 6441-6446 (2024)
- Publication Year :
- 2024
- Publisher :
- Elsevier, 2024.
-
Abstract
- Recent experiments proposed that the precipitated second-phase particles, such as L12-Al3Zr and S phase (Al2CuMg) in Al–Zn–Mg–Cu–Zr alloy, can efficiently trap enrichment H atoms, possibly weakening the H-induced damage of corresponding Al alloy. However, the change of mechanical properties of these precipitates with trapped H atom could not be explored experimentally. Here, taking intermetallic L12-Al3Zr as example, we performed a theoretical prediction to investigate the effect of trapped H on the mechanical properties of L12-Al3Zr. The results showed that although Al3ZrH compound with H located the at the geometric center is energetic and elastic stable, the lattice parameter of L12-Al3Zr seems to be expanded. The permeated H contributes to improve the hardness, brittleness and elastic anisotropy of L12-Al3Zr. In addition, we used a special method to obtain the numerical value of each (100) non-stoichiometric surface for both L12-Al3Zr and Al3ZrH compounds, providing a valuable supplement in calculating the surface energy of the non-stoichiometric surface for cubic structure.
- Subjects :
- 81.05. Bx
81.10. Aj
31.15.E-
Mining engineering. Metallurgy
TN1-997
Subjects
Details
- Language :
- English
- ISSN :
- 22387854
- Volume :
- 30
- Issue :
- 6441-6446
- Database :
- Directory of Open Access Journals
- Journal :
- Journal of Materials Research and Technology
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.5acb5e96132a406899f1982f95cc02d5
- Document Type :
- article
- Full Text :
- https://doi.org/10.1016/j.jmrt.2024.05.042