Next Article in Journal
Microstructure Images Restoration of Metallic Materials Based upon KSVD and Smoothing Penalty Sparse Representation Approach
Previous Article in Journal
Optimization of the Critical Parameters of the Spherical Agglomeration Crystallization Method by the Application of the Quality by Design Approach
Open AccessArticle

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

Faculty of Materials and Energy, Southwest University, Chongqing 400715, China
*
Author to whom correspondence should be addressed.
Materials 2018, 11(4), 636; https://doi.org/10.3390/ma11040636
Received: 13 February 2018 / Revised: 15 April 2018 / Accepted: 17 April 2018 / Published: 20 April 2018
(This article belongs to the Section Structure Analysis and Characterization)
Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. View Full-Text
Keywords: intermetallics; interface; first-principles; elastic properties; Griffith rupture work intermetallics; interface; first-principles; elastic properties; Griffith rupture work
Show Figures

Graphical abstract

MDPI and ACS Style

Li, C.; Cheng, N.; Chen, Z.; Xie, Z.; Hui, L. Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys. Materials 2018, 11, 636.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop