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Thermodynamic Modeling of the Al-Ce-Cu-Mg-Si System and Its Application to Aluminum-Cerium Alloy Design

Journal Article · · Journal of Phase Equilibria and Diffusion
 [1];  [1];  [1];  [2];  [3];  [4];  [4];  [4];  [5];  [1]
  1. Lawrence Livermore National Laboratory (LLNL)
  2. Eck Industries
  3. University of Tennessee, Knoxville (UTK)
  4. ORNL
  5. Lawrence Livermore National Laboratory
+ Show Author Affiliations
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-Cu-Mg, 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-Mg-Si 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 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.
Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office
Grant/Contract Number:
AC05-00OR22725; AC52-07NA27344
OSTI ID:
1813232
Alternate ID(s):
OSTI ID: 1814099
Report Number(s):
LLNL-JRNL--813487
Journal Information:
Journal of Phase Equilibria and Diffusion, Journal Name: Journal of Phase Equilibria and Diffusion Journal Issue: 6 Vol. 41
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Al-Ce alloys
Al-Ce-Cu
Al-Ce-Cu-Mg-Si system
Al-Ce-S
CALPHAD
alloy desig
phase diagram