Thermodynamic description of the Al-Cu-Yb ternary system supported by first-principles calculations
Abstract
Phase relationships of the ternary Al-Cu-Yb system have been assessed coupling with CALPHAD method and first-principles calculations, a self-consistent thermodynamic parameter was established based on the experimental and theoretical information. Most of the binary intermetallic phases, except Al3Yb, Al2Yb, Cu2Yb and Cu5Yb, are assumed to be zero solubility in the ternary system. Based on experimental data, eight ternary intermetallic compounds were taken into consideration in this system. Among them, three were treated as line compounds with large homogeneity ranges for Al and Cu. The others were treated as stoichiometric compounds. The calculated phase diagrams were in agreement with available experimental and theoretical data.
Authors retain copyright of the published papers and grant to the publisher the non-exclusive right to publish the article, to be cited as its original publisher in case of reuse, and to distribute it in all forms and media.
The Author(s) warrant that their manuscript is their original work that has not been published before; that it is not under consideration for publication elsewhere; and that its publication has been approved by all co-authors, if any, as well as tacitly or explicitly by the responsible authorities at the institution where the work was carried out. The Author(s) affirm that the article contains no unfounded or unlawful statements and does not violate the rights of others. The author(s) also affirm that they hold no conflict of interest that may affect the integrity of the Manuscript and the validity of the findings presented in it. The Corresponding author, as the signing author, warrants that he/she has full power to make this grant on behalf of the Author(s). Any software contained in the Supplemental Materials is free from viruses, contaminants or worms.The published articles will be distributed under the Creative Commons Attribution ShareAlike 4.0 International license (CC BY-SA).
Authors are permitted to deposit publisher's version (PDF) of their work in an institutional repository, subject-based repository, author's personal website (including social networking sites, such as ResearchGate, Academia.edu, etc.), and/or departmental website at any time after publication.
Upon receiving the proofs, the Author(s) agree to promptly check the proofs carefully, correct any typographical errors, and authorize the publication of the corrected proofs.
The Corresponding author agrees to inform his/her co-authors, of any of the above terms.