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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
Presentation Title Dislocation Motion Behaviors in Multi-Principal Element Alloys: Insights From Atomistic Simulations and Machine Learning
Author(s) Xinyi Wang, Penghui Cao
On-Site Speaker (Planned) Xinyi Wang
Abstract Scope In this presentation, we investigate how chemical fluctuations and short-range order (SRO) affect dislocation motion in body-centered cubic (bcc) refractory multi-principal element alloys. We reveal a hierarchical, multilevel potential energy landscape for screw dislocation that imposes trapping forces and back stresses, hindering dislocation motion. The presence of SRO further increases energy barriers, with effects varying by mechanism. For edge dislocations, we identify a stress-dependent transition from SRO-impeded (strengthening) to SRO-enhanced (softening) motion, governed by the degree of chemical ordering and applied shear stress. Under increasing shear, SRO shows a more rapid reduction in activation enthalpy compared to random solid solutions (RSS), marking a crossover from strengthening to softening. This transition is driven by increased activation distance, which amplifies mechanical work and accelerates enthalpy decay. Lastly, we develop a neural network model to predict Peierls barriers across composition space, capturing both chemistry and structure features for accurate and efficient dislocation analysis.
Proceedings Inclusion? Planned:

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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Chemical Anisotropy Governs Radiation-Induced Defects in Refractory Multiple Principal Element Alloys
Chemical Disorder and Atomic Transport in Complex Oxides
Chemical Short-Range Order and Kinetics of Diffusive Relaxation
Chemical Short-Range Order and Radiation Resistance in High-Entropy Ceramics
Chemical Short-Range Order in Complex Alloys: From Fundamental Understanding to Property Control
Chemical Short-Range Order in High-Entropy Alloys: State of the Art
Combined Total Scattering and Physical Property Measurements for the Assessment of Local Order in Ni-Cr
Computational Studies of Thermodynamics and Ordering Kinetics of BCC/B2 Microstructures in W–Ta Refractory Alloys
Controlling Short-Range Ordering in Nanocrystalline High-Entropy Alloys Through Grain Boundary Segregation
Correlative 4D-STEM Mapping of Shear Band Evolution and Structural Heterogeneity in Metallic Glasses
Dislocation Motion Behaviors in Multi-Principal Element Alloys: Insights From Atomistic Simulations and Machine Learning
Effects of Short Range Order on Primary Passivation in Simple Alloys
Elastic Microstructure, Local Ordering, and Strain Fluctuations in Metallic Glasses
First-Principles Investigation of Cluster Size Effects on Oxide Adsorption in Binary Magnetic Alloys
From Short-Range to Long-Range Ordering: Unraveling Local Chemical Ordering Evolution in (CrCoNi)93Al4Ti2Nb MEA via Advanced 4D-STEM Diffuse Scattering Analysis
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Influence of Chemical Short-Range Ordering on Hydrogen Interaction in CoCrNi
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Kinetics of One-Step Solid-State Alloy Making: On the Local Chemistry at the Metal-Oxide Interface
Local Chemical Ordering Around Extended Defects in High-Entropy Alloys
Local Ordering Along Stacking Faults: Kinetic Aspects and Their Impact on Creep in Superalloys
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Nonequilibrium Chemical Short-Range Order
Probing Short-Range Order in Concentrated Solutions via Nonlinear Ultrasonic Wave Propagation
Revisiting the Role of Chemical Order on Mechanical Properties of Ni-Cr Solid-Solution Alloy
Solute Cluster Strengthening in Mg-Ca-Zn Alloys
Study of Atomic Ordering in CrNi- and CoCrNi-Based Alloys Induced by Heat Treatments
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The Impact of Al on α' Precipitation in FeCrAl Alloys Under Thermal Aging and Irradiation
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Tuning Short-Range Order in Refractory High-Entropy Alloys for Enhanced Passivation
Unravelling Entangled Local Strengthening Mechanisms in Face-Centered Cubic Multi-Principal Element Alloys
Unveiling Short-Range Ordering in Complex Alloys via Atom Probe Tomography: A Perspective on the History, Present and Future

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