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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Local Ordering in Materials and Its Impacts on Mechanical Behaviors, Radiation Damage, and Corrosion
Presentation Title Computational and Characterization Methods to Quantify Chemical Ordering in Compositionally Complex Alloys
Author(s) Annie Barnett, Daniel Foley, Elaf Anber, Yevgeny Shlafstein, Alejandro Gomez Perez, Partha Pratim Das, Douglas Spearot, Irene Beyerlein, Michael Falk, Mitra Taheri
On-Site Speaker (Planned) Annie Barnett
Abstract Scope Non-uniform, compositionally complex alloy (CCA) landscapes are challenging to fully characterize. Difficulty arises in confirming ordering mechanisms, in quantitatively describing order, and in rigorously relating such order to experimental measurement of reciprocal space lattices patterns. Precession Electron Diffraction (PED) can extract quantitative ordering information in metallic systems, including slight changes in ordering that occur at high spatial resolution, but a need remains for more evidence of local behavior. Hybrid Monte-Carlo/Molecular Dynamics simulations were performed to generate experimentally comparable models to compliment conclusions about the ordering signatures previously found using PED. Short-range order (SRO) parameters are well-defined mathematically but do not directly provide any physical interpretation. Such parameters benchmark the chemical state of systems generated both experimentally and computationally. Modeling results, PED patterns, and SRO parameters illustrate the benefits of a combined methodology to facilitate quantification and characterization of the local nature of chemical ordering in complex metallic systems.
Proceedings Inclusion? Planned:

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Assessing Local Order in Alloys Using Total Scattering, Pair Distribution Functions and Reverse Monte Carlo Simulations
Characterizing Local Order in Disordered Materials
Chemical and Structural Disorder for Tuning Properties of Materials
Chemical and Structural Ordering in Amorphous Complexions Determines the Plasticity of Nanocrystalline Cu Alloys
Chemical Short-range Order and Passivation of Binary FCC and BCC Single-Phase Alloys
Comparing Short-range Ordering Behavior in Novel Austenitic Steels via Fluctuation Electron Microscopy Techniques
Computational and Characterization Methods to Quantify Chemical Ordering in Compositionally Complex Alloys
Coupled Grain Boundary and Twin Boundary Deformation in Metallic Materials
Different Scales of Chemical and Structural Ordering in Advanced High Strength Steels
Diffusion Kinetics and Formation of Chemical Short-range Order in Alloys
Direct Observation of Local Ordering and Charge Distribution in High Entropy Oxides
Dislocation Motions in Refractory High-entropy Alloys and Effects of Chemical Order and Disorder
Disorder and Transport in Irradiated Complex Oxides
Dynamic Atomic-scale Understanding of the Initial Stages of Cu Oxidation Revealed by Correlated Environmental TEM and Theoretical Simulations
Engineering the Extent of Grain Boundary Ordering via Pre-melting in Nanocrystalline Al Alloys
Exploring the Thermal, Mechanical, and Radiation Stability of Refractory High Entropy Alloys via In-situ Electron Microscopy
Grain Boundary Segregation in Polycrystals: Isotherms, Computation, and Data Science
In-situ TEM Study of the Role of Short-range-order in the Deformation of Medium Entropy Alloy
Integrating In Situ Experiment and Atomistic Modeling to Decipher Grain Boundary Deformation Mechanisms
Local and Short-range Chemical Order in High/Medium Entropy Alloys
Local Phase Transformations Associated with Extended Defects in Ni-base Superalloys
Long- and Short-range Ordering versus Disordering in Compositionally Complex Fluorite-based Oxides
Mean-field Prediction of Short-range Ordering/Clustering Kinetics in Binary FCC Solid Solution Alloys
Molten Salt Corrosion of Ni-20Cr Model Alloy
Multi-scale Investigation of Chemical Short-range Order and Dislocation Glide in the MoNbTi and TaNbTi Refractory Multi-principal Element Alloys
Multiscale Irradiation-induced Ordering in Metal Oxides
Neural-network Based Atomistic Simulation on Chemical Order Formation Kinetics in Medium Entropy Alloys
Non-monotonic Role of Chemical Heterogeneity on Interfacial Crack Growth in Fe-Ni-Cr Alloys
Observation of Fe and Mn Chemical Ordering in High Mn Steels by Neutron Diffraction
Optimizing Passivation in Multiprincipal Element Alloys through Local Order
Ordering and Disordering of Helium Bubbles and Precipitates in Materials Studied Using Small Scale Mechanical Testing
Ordering in Ti-V-Nb-Hf Refractory High-Entropy Alloys with Al Alloying
Preferential Precipitation on Annealing Twin Boundaries and Its Effect on Strain Localization
Short-range Order Effects on Dislocation Mobilities in High-entropy Alloys from Atomistic Simulations
Short Range Order and the Evolution of Deformation Mechanisms in Both High and Low Entropy Alloys
Short Range Order in Disordered Spinel and the Impact on Cation Vacancy Transport
Short Range Order Prediction in High Throughput from First Principles: A Descriptor-based Screening Process
Solute-strengthening in Alloys with Short-range Order
Strengthening Mechanisms In Refractory High Entropy Alloys Based on Athermal Atomic-sized Dislocation Imperfections
Structural Transitioning in Near Boundary Segregation Zones due to Chemical Ordering in NbMoTaW
Symmetry Considerations for Ordering in High-entropy Alloys
The Effects of Local Order in Molten Metals on Glass Formation
The Role of Short Range Ordering on the Corrosion Behavior of Structural Materials
Tunable Short-range Order Within Amorphous Complexions and Its Connection to Damage Nucleation

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