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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Local Ordering in Materials and Its Impacts on Mechanical Behaviors, Radiation Damage, and Corrosion
Presentation Title Machine Learning-enabled Tomographic Imaging of Chemical Short-range Order in Fe-based Alloys
Author(s) Yue Li, Baptiste Gault
On-Site Speaker (Planned) Yue Li
Abstract Scope Chemical short-range order (CSRO), describing preferential local ordering of elements within the disordered matrix, can change the mechanical and functional properties of materials. CSRO is typically characterized indirectly, using volume-averaged (e.g. X-ray/neutron scattering) or through projection microscopy techniques that fail to capture the complex, three-dimensional atomistic architectures. Quantitative assessment of CSRO and concrete structure-property relationships have remained so far unachievable. Here, we present a machine-learning enhanced approach to break the inherent resolution limits of atom probe tomography to reveal three-dimensional analytical imaging of the size and morphology of multiple CSRO. We showcase our approach by addressing a long-standing question encountered in a body-centred-cubic Fe-18Al and Fe-19Ga (at.%) alloy that sees anomalous property changes upon heat treatment, supported by electron diffraction and synchrotron X-ray scattering techniques. The proposed strategy can be generally employed to investigate short/medium/long-range ordering phenomena in a vast array of materials and help design future high-performance materials.
Proceedings Inclusion? Planned:
Keywords Iron and Steel, Machine Learning, Characterization

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Computational Thermodynamics Framework with Intrinsic Chemical Short-range Order
A Percolation Model of Passivation for Binary FCC Alloys: Effects of Short Range Order
A Simple Model for Short-Range Ordering Kinetics in Multicomponent Solid Solution Alloys
Atomic-scale Origin of the Low Grain-boundary Resistance in Perovskite Solid Electrolyte Li0.375Sr0.4375Ta0.75Zr0.25O3
Bridging the Gap between Quantum Materials Modeling and Experiments with Machine Learning Under Extreme Environments
Capturing Short-range Order in High-entropy Alloys with Machine-learning Potentials
Combinatorial Investigation of He-ion Irradiation Behavior of Nano-structured W-based Alloys
Correlation between Severe Cr Charge Density Distortion and Large Variation of Stacking Fault Energy in Ni-based HEAs
Defect Energy Statistics in Concentrated Solid Solutions
Design of Radiation-resistant Solid Solution Alloys Using Co-clustering of Synergistic Solutes
Discerning Chemical Short-range Ordering from Nanoindentation Pop-in Loads in a BCC Refractory Complex Concentrated Alloy
Dislocation Plasticity in Inhomogeneous FeCrAl Alloys
Dislocations in Complex Alloys
Elucidating the Roles of Chemistry, Compositional Complexity, and Short-range Order in the Dislocation Energetics of Refractory Alloys
Exploration of Local Structural Effects in NiCoCr to Cryogenic Temperatures: A Total Scattering Investigation
How Can We Tune the Short-range Order (SRO) in Multi-principal Element Alloys (MPEA)s?
Impact of Chemical Ordering on Sluggish Diffusion in Medium Entropy Alloys
Impact of Short-range Order on Planar Slips in High-entropy Alloys
Impact of Thermal Vacancies on Chemical Ordering Kinetics in Complex Concentrated Alloys
Interfacial Free Volume Redistribution during Relaxation of a Spray Deposited Amorphous Alloy
Local Solute Clustering and Partially Active Segregation at Grain Boundaries in Nanocrystalline Sterling Silver Alloys
Machine Learning-enabled Tomographic Imaging of Chemical Short-range Order in Fe-based Alloys
Mechanics of High-entropy Alloys
Modeling Radiation-induced Segregation Near Nanosized Cavities in Fe-Cr Alloys
Neural Network Potential-based Molecular Dynamics Nanoindentation and Machine Learning-based Kinetic Monte-Carlo Simulations of the Impact of Chemical Order in CrCoNi Medium-entropy Alloy
Ni2Cr Long Range Ordered Transgranular Precipitation-accelerated Corrosion of Ni-Cr Alloys in Chloride Molten Salt
Non-equilibrium Ionic Transport in Oxides
Nonequilibrium Short-range Order in High-entropy Alloys
Ordering and Spinodal Decomposition in Lightweight Fe-Mn-Al-C Steels
Oxidation Kinetics for Model Refractory Multiple Principal Element Alloy Nb-Ti-Zr
Quantitative Assessment of Short-range Order in Atomistic Simulations of High-entropy Alloys
Role of Nanoscale Heterogeneities on Charged Species Transport and Oxide Growth: Example of Noble Metallic Inclusions
Sharpening Our Focus on Diffuse Scattering: Partial Ordering and Nanoscale Planar Defects in Multi-principal Element Alloys
Short-range Ordering Mechanics in FCC Materials
Short-range Structure and Dynamics in Disordered Materials from 4D STEM
Statistical Fluctuations, Clustering and Short-range Ordering: A CALPHAD Based Thermodynamics Perspective
The Question of Short Range Order and Its Impact on Deformation Mechanisms in CrCoNi
Thermodynamic Formation Mechanism of Chemical Short-range Order and Its Influence on Elastoplastic Deformation in Multi-principal Elemental Alloys
Three-dimensional Atomic Positions and Local Chemical Order of Medium- and High-Entropy Alloys
Tuning the Interplay between Local Chemical Order with Lattice Distortion in Planar Slip Bands to Increase Strain Hardening and Ductility in HEAs
Understanding Processing Pathways for Chemical Short-range Order in Equiatomic CoCrNi Alloy
Won’t You Be My Neighbor: Tracking Chemical Short-Range Order and Its Impact on Corrosion Resistance in a Medium Entropy Alloy

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