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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Thermodynamics and Kinetics of Alloys
Presentation Title Al-Ce Alloy Development Using Computational Thermodynamics
Author(s) Emily E. Moore, Hunter Henderson, David Weiss, Scott McCall, Orlando Rios, Aurélien Perron
On-Site Speaker (Planned) Emily E. Moore
Abstract Scope Development of Al-Ce alloys is investigated to improve the mining economics of rare-earth elements (REE) used in clean energy technologies. Thermochemical models using the CALPHAD (CALculation of PHAse Diagrams) method aid in alloy design by predicting the phase-behavior of multi-component systems to achieve the desired chemical makeup of an alloy. We present a thermodynamic database that addresses multi-element alloys within the Al-Ce-Cu-Fe-La-Mg-Mn-Ni-Si-Zn-Zr system and investigate alloy compositions considered for fast deployment of high-volume applications within the automotive industry. Prepared by LLNL under Contract DE-AC52-07NA27344. Research supported by CMI, an Energy Innovation Hub funded by the U.S. DOE, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office.
Proceedings Inclusion? Planned:
Keywords Aluminum, Modeling and Simulation, Computational Materials Science & Engineering

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A First-principles Analysis of the Phase Stability of B2/BCC High Entropy Alloys
A Quantitative Model for the Electrodeposition of Metals and Alloys Based on In Situ Characterizations
Accelerated CALPHAD-based Design of a 7xxx High Strength Aluminum Plate Alloy
Al-Ce Alloy Development Using Computational Thermodynamics
An investigation and selected applications of the effective bond energy formalism
Calculation of Critical Points
Calculation of Pourbaix Diagrams for Aqueous Corrosion
CALPHAD and Data-driven Approach for Phase Prediction Model in Refractory High-entropy Alloys
Density-based Phase-field Modelling of the Interplay between Grain Boundary Segregation Transition and Structure
Effect of N and/or B Additions on the Precipitation Kinetics in Isothermally Aged and Creep Ruptured 347H Stainless Steels
Effect of Ti on the Diffusional Growth of A15 Nb3Sn
Evaluation and Assessment of Interdiffusion Coefficients and Atomic Mobility in FCC Al-Cu-V
Experimental Investigation and Thermodynamic Assessment of the Cr-Si Binary System
First-principles Based Calculation of Thermodynamic and Kinetic Properties in Non-Dilute Mg Alloys Using CASM
First-principles Calculations and Thermodynamic Modeling of the Mg-In System with Order-disorder Transitions
High-throughput Design of Multi-principal Element Alloys with Spinodal Decomposition Assisted Microstructures
Impact of Magnetic Excitation and Transition on Atomic Diffusion in Fe Alloys
Improvement of Co-Cr-Ni-Ta Mobility Descriptions
Interfacial and Volumetric Melting Regimes of Sn Nanoparticles
Interfacial Properties and Crystal Growth of Ni, Ti and Ni50Al50 from Molecular Dynamics Simulations
Low Temperature Phase Equilibria Investigation and Phase Identification in the Cu-In-Sn System
Microstructural Design via Spinodal-mediated Phase Transformation Pathways in High-entropy Alloys (HEAs) Using Phase-field Modelling
On the Effect of Different Elements on the Phase Stability of Bulk γ Alloys, Which Compositions Were Derived from Co-base Superalloys
Phase diagram determination of ternary systems for understanding the TCP phase formation in Ni-based superalloys
Prediction of the Microstructure and Corrosion Behavior for the CoyCryFeyMnyNix High-Entropy Alloys by the CALPHAD Method
Study on Densification Kinetics of the Binder Jetted Fine 316L SS Powder
Symbolic Regression Search for a General Free Energy Function for BCC Alloys
The Selection of Solidification Pathway in Rapid Solidification Processes
Thermal Grooving and Grain Growth in a Polycrystalline Thin Film: A Phase-field Study
Thermodynamic Assessment of the V-Ti-B System
Thermodynamic Assessments and Experimental Validation of Iron “Impurity” in Cast Aluminum Alloys
Thermodynamics and Kinetics of Li-metal Alloys
Tunable Heterogeneous Microstructures in a High Throughput Architecture
Understanding Precipitation and Age Hardening Of FeCrAl Alloy Using Explainable Artificial Intelligence
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