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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Computational Design and Simulation of Materials (CDSM 2018): Computational Design of Materials
Presentation Title Materials Design Simulator for Al-Ce Based Alloys
Author(s) Aurelien Perron, Vincenzo Lordi, Orlando Rios, David Weiss, Scott McCall, Patrice Turchi
On-Site Speaker (Planned) Aurelien Perron
Abstract Scope A Materials Design Simulator (MDS) – based on coupling a thermodynamic software with a global constrained search engine – will be presented to discover new aluminum-cerium-based alloys with optimal composition for structural applications. Al-Ce-based alloys are highly castable across a broad range of compositions. In addition, room-temperature physical properties appear to be competitive with existing aluminum alloys with extended high-temperature stability due to nanoscale intermetallics dominating the microstructure. MDS results for complex multi-component systems – Al-Ce-X, with X = {Cu, Fe, La, Mg, Ni, Si, and/or Zn} – combined with some experimental validations will be presented, and discussions on the implementation of additional constraints proposed. This work was performed under the auspices of the U.S. DOE by LLNL under contract DE-AC52-07NA27344, and supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. DOE, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

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Computational Design and Simulation of Ultralow Modulus, Hysteresis-free, and Linear Pseudo-elastic Shape Memory Alloy
Computational Design of Metastable Austenite in the Advanced Transformation Induced Plasticity Steels
Computational Microstructure Characterization and Reconstruction for Multi-scale Analysis of Multi-phase AHSS
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Computational Thermodynamics Aided Design of Co-based γ'-strengthened Superalloys
Coupling Void Coalescence Criteria in Finite Element Models: Application to Tensile Test
Design of a New Multi-element Beta Titanium Alloy Based on D-electron Method
Diffusion Couple Experiments to Support the Development of a Diffusion Mobility Database for the Co-Al-W-Ni-Cr-Ta System
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ICME-Based Computational Materials Genomic Design
Investigation of Order-disorder Transition in Multi-principal-element Alloys
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Microstructure Evolution and Simulation in 22MnB5 Steel during Hot Stamping
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Predicting Microstructural Evolution in Oxidation Resistant Coatings during Manufacturing and during Degradation in Service
Prediction of the Abrasive Wear Behaviour of Heat Treated Aluminium-clay Composites
Quantitative Defect Chemistry Analysis of (La1-xCax)yFeO3δ Perovskite
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Study on the Effect of Applied Pressure on Directional Dendritic Growth by In-situ Observation
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Thermodynamic Database for Co-Al-W-Ni-Ti-Ta-Cr Based Superalloys
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