Stability, mechanical and surface properties for hydride of intermetallic L12-Al3Zr

Qian Zhang; Jian-Gang Yao; Yong Jiang; Ming-Chun Zhao; Deng-Feng Yin; Yan-Zhi Zhang

Journal of Materials Research and Technology (May 2024)

Stability, mechanical and surface properties for hydride of intermetallic L12-Al3Zr

Qian Zhang,
Jian-Gang Yao,
Yong Jiang,
Ming-Chun Zhao,
Deng-Feng Yin,
Yan-Zhi Zhang

Affiliations

Qian Zhang: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China; School of Materials and Science, Central South University, Changsha, 410083, China
Jian-Gang Yao: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China; Corresponding author.
Yong Jiang: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China; School of Materials and Science, Central South University, Changsha, 410083, China; Corresponding author. College of Chemical Engineering and Technology, College of Technology and Date, Yantai Nanshan University, Yantai, 265713, China.
Ming-Chun Zhao: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China; School of Materials and Science, Central South University, Changsha, 410083, China
Deng-Feng Yin: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China; School of Materials and Science, Central South University, Changsha, 410083, China
Yan-Zhi Zhang: College of Chemical Engineering and Technology, College of Technology and Data, Yantai Nanshan University, Yantai, 265713, China

Journal volume & issue: Vol. 30
pp. 6441 – 6446

Abstract

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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.

Published in Journal of Materials Research and Technology

ISSN: 2238-7854 (Print); 2214-0697 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Technology: Mining engineering. Metallurgy
Website: https://www.journals.elsevier.com/journal-of-materials-research-and-technology/

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