Thermodynamic Modeling of the Al-Ce-Cu-Mg-Si System and Its Application to Aluminum-Cerium Alloy Design
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Thermodynamic Modeling of the Al-Ce-Cu-Mg-Si System and Its Application to Aluminum-Cerium Alloy Design E. E. Moore1 • P. E. A. Turchi1 • V. Lordi1 • D. Weiss2 • Z. C. Sims3 • H. B. Henderson1,4 • M. S. Kesler4 • O. Rios3,4 • S. K. McCall1 • A. Perron1
Submitted: 21 August 2020 / in revised form: 30 October 2020 / Accepted: 2 November 2020 Ó ASM International 2020
Abstract Recently discovered AlCe alloys have shown promise in a number of applications, but the propensity of Ce to react with Al and other alloying elements can complicate the phase equilibria and design approach. To solve this, the CALPHAD method is used to explore an alloy within the quinary Al-Ce-Cu-Mg-Si system by developing a thermodynamic database with self-consistent parameters. The database includes a description of all 10 binary systems and 8 ternary systems consisting of: (i) 6 Al-containing ternaries (Al-Ce-Cu, Al-Ce-Mg, Al-Ce-Si, Al-CuMg, Al-Cu-Si and Al-Mg-Si); and (ii) 2 additional ternaries that include Mg and Si (i.e., Ce-Mg-Si and Cu-Mg-Si). The thermodynamic description for the Al-Ce-Mg and Al-MgSi systems were reassessed to ensure consistency with the binary systems and the Ce-Mg-Si system is presented for the first time and compared to theoretical data from DFT (Density Functional Theory). In addition to the ternary interactions, the quaternary compound Al3Cu2Mg9Si7 and solid solution extending from the ternary Al2CuMg phase (Al,Si)2CuMg are incorporated. The CALPHAD method is Electronic supplementary material The online version of this article (https://doi.org/10.1007/s11669-020-00852-y) contains supplementary material, which is available to authorized users. & E. E. Moore [email protected] A. Perron [email protected] 1
Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550
2
Eck Industries, 1602 N 8th St, Manitowoc, WI 54220
3
University of Tennessee, Knoxville, TN 37996
4
Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831
employed and leveraged through the use of a Materials Design Simulator (MDS) to accelerate the design of novel aluminum-cerium-based alloys. The combination of a CALPHAD-based framework with experimental efforts and industrial insight permits the development of three new Al-Ce alloys: Al-3.5Ce-0.4Mg-7Si (Ce-modified A356), Al-5Ce-1Cu-0.5Mg-10Si and Al-19Ce-0.9Mg-1.1Si. Keywords Al-Ce alloys Al-Ce-Cu Al-Ce-Cu-Mg-Si system Al-Ce-Si alloy design CALPHAD phase diagram
1 Introduction The criticality of rare-earth elements (REE), many of which are essential to clean energy technologies, is detailed in a report issued by the US DOE.[1] REE mining practices are impacted by supply scarcity and unfavorable industrial economics. Increasing demand for more abundant by-product forms, such as Ce and La would improve the mining economics of all the REE including the more critical elements such as Nd and Dy. Recent efforts in achieving this goal by incorporating Ce into Al-based alloys to produce novel and economically attractive materials have proven successful.[2
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