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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium 2024 Technical Division Student Poster Contest
Presentation Title SPG-19: Exploring High-temperature 7000 Series Aluminum Alloys: High-throughput DFT Calculations and Machine Learning Approaches
Author(s) Yu-ning Chiu, Chung-yi Yu, Wei-ting Lin, Chia-chia Hsieh, Shih-kang Lin
On-Site Speaker (Planned) Yu-ning Chiu
Abstract Scope The 7000 series (Al-Zn-Mg) aluminum alloys are renowned for their exceptional lightweight yet high-strength properties, attributed to a metastable strengthening phase, known as η' phase. However, their high-temperature stability is compromised as the metastable η' precipitates are prone to transforming into stable η phases. To address this issue, we investigated the segregation energies of 21 elements as potential segregants through high-throughput DFT calculations. Our machine learning analysis revealed that interfacial segregation is governed by reducing strain energy at the precipitate-matrix interface. Notably, smaller atoms like Cu, Mn, and Ni as suitable segregants, contributing to precipitate stability. Experimentally, we achieved a notable 30C increase in the transition temperature of η' precipitates in an Al-Zn-Mg-Ni alloy compared to the standard AA7075 alloy, confirmed by DSC analyses. This research provides deeper insights into the mechanisms of interfacial segregation and offers strategic guidance for microalloying in the development of high-temperature 7000 series aluminum alloys.
Proceedings Inclusion? Undecided
Keywords Aluminum, Computational Materials Science & Engineering, Machine Learning


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SPG-12: GenMG: A Tool for Predicting Novel Metallic Glasses with Application-specific Properties
SPG-13: In-situ Nucleation of MOF on Glass Fiber Surface: Investigating MOF Loading Effects and Electrochemical Performance
SPG-14: Liquid/Solid Interfacial Reactions between Lead-free Solders and the Cu-Ni-Si-Mg Alloy(C7025)
SPG-15: Mechanistic Investigation of Twinned Copper Nanowires as a Multi-functional Materials
SPG-16: Novel SolidStir Extrusion Technology for Enhanced Conductivity Cable Manufacturing via In-situ Exfoliation of Graphite to Graphene
SPG-17: Tailoring the Performance of the LiNi0.8Mn0.1Co0.1O2 Cathode using Al2O3 and MoO3 Artificial Cathode Electrolyte Interphase (CEI) Layers through Plasma-enhanced Atomic Layer Deposition (PEALD) Coating
SPG-18: Effect of Silicon Content on the Microstructure and Mechanical Properties of Aluminum-Cerium Based Alloys
SPG-19: Exploring High-temperature 7000 Series Aluminum Alloys: High-throughput DFT Calculations and Machine Learning Approaches
SPG-1: Diffusion Bonding of Titanium Alloys and Magnesium Alloys
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SPG-21: Modification of Twinning Behavior in Mg Alloys by Grain Boundary Intermetallic Particles
SPG-22: 3D Printed Stretchable Soft Electronics with Metamaterials-inspired Electromagnetic Architecture
SPG-23: Understanding the Microstructure Evolution in the Selective Laser Melted Near-alpha Ti-6Al-2Sn-4Zr-2Mo Alloy using Advanced Characterization Techniques
SPG-24: Variations in Microstructural Characteristics and Mechanical Properties of High-speed-extruded Mg-Bi Alloys through Al Addition
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SPG-27: Additive Manufacturing of CrCoMnFeNi via Novel Polymer-powder Composite
SPG-28: Additively Manufactured Niobium C103 via Laser-directed Energy Deposition: Fabrication Process, Microstructure Evolution, and Mechanical Behavior
SPG-29: Characterization of Microstructural Heterogeneities in EBM-PBF Haynes 282 using Linear and Random Scan Strategies
SPG-30: Controlling the Pre-bending Delay during Laser Sheet Metal Forming
SPG-31: Data-Driven Optimization of Wire Arc Directed Energy Deposition Manufacturing Conditions for Improved Bead Shape Prediction
SPG-32: Design and Tailoring of a Novel High-entropy Alloy for Additive Manufacturing
SPG-33: Development of a Low-cost Open-source Wire Arc Additive Manufacturing (WAAM) Machine
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SPG-43: Modeling Electrospray of Water and Liquid Metals
SPG-44: Multi-material Hybrid Manufacturing for Desired Composition, Tailored Properties and Complex Geometries
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SPG-59: Bonding Mechanisms between Steels and Mg Alloys having Different Composition using Ultrasonic Spot Welding
SPG-5: Kinetic Study on Deoxidation of Molten Copper by the Carbon Monoxide Gas Bubbling
SPG-60: Characteristics of Laser and Electron Beam Welds of Borated Stainless Steel for Neutron Absorbers and Structural Materials for Storage of Spent Nuclear Fuel
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SPG-6: Phytomining for Rare Earth Elements: A Comparative Life Cycle Assessment
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SPG-8: Recovery of Rhenium from Superalloy Swarf, Grindings, Turnings, and Scrap
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SPU-11: Exploring Biofiber Properties and their Influence on Critical Biocomposite Quality
SPU-13: Microstructure of Rapidly Solidified M2 High-Speed Steel by Multi-Beam Laser Melting
SPU-14: Open Cell Structure Volumetric Shrinkage in Additively Manufactured Alumina
SPU-15: Spark Plasma Sintering of Graphitic Matrix for TRISO Compact Fabrication
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