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Meeting MS&T26: Materials Science & Technology
Symposium Progress in High Entropy Materials: Integrating Experiments, Computation, and Machine Learning
Presentation Title Lattice Distortion–Driven Transition from Screw to Edge Dislocation Glide Enhances High-Temperature Strength Retention in Refractory High-Entropy Alloys
Author(s) Mingwei Zhang, Tamanna Zakia, Ayeman Nahin, Dunji Yu, Michael Lau, Jacob Pustelnik, Juntan Li, Mason Kincheloe, Lia Amalia, Yan Chen, Peter K. Liaw, Haixuan Xu
On-Site Speaker (Planned) Mingwei Zhang
Abstract Scope Refractory high-entropy alloys (RHEAs) can exhibit good strength retention at elevated temperatures, yet the underlying deformation mechanisms remain debated. In this talk, we show that temperature and lattice distortion jointly drive a transition in the dominant dislocation glide mechanism from screw- to edge-dislocation control, fundamentally altering high-temperature strengthening behavior. Using a combination of room-to-high-temperature tensile testing, in-situ neutron scattering under load and heating, scanning transmission electron microscopy, as well as molecular dynamics simulations, we identify a regime in which edge dislocations become the rate-limiting carriers of plasticity. This transition is promoted by severe lattice distortion and atomic-scale volume misfit, which preferentially interact with edge dislocations and suppress their mobility below that of screw dislocations. As a result, strength becomes less thermally sensitive, enabling enhanced strength retention at elevated temperatures. These findings establish dislocation-mechanism transitions as a key design principle for developing next-generation refractory high-entropy alloys for high-temperature structural applications.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Computational Framework for BCC–B2 Precipitation Strengthening in High Entropy Alloys
Accelerated Discovery of High Entropy High-Temperature Materials by Data-Driven Methodology
Chemical Short-Range Order in Covalent High-Entropy Ceramics and Its Impact on Radiation Tolerance
Composition Design of Refractory High-Entropy Alloys with Machine Learning Models
Compositionally Complex Alloy Nanoparticles via Nanosecond Laser-Induced Dewetting
Compositionally complex (Hf,Zr,Nb,Ti)B2-LaB6 ceramics
Computational Investigation of Thermodynamic Stability in Novel High Entropy MAB Phases Based on the Cr₄AlB₄ Structure
Diffusion Modeling for Homogenization Design of Refractory High-Entropy Alloys
Elasticity and Electronic Structure of Ta-W Alloys
Electronic-Structure-Guided Design of Ductile Tungsten-Based Alloys for Fusion Applications
Energetics and Critical Stresses of Competing Deformation Mechanisms in Metastable Multicomponent Ti Alloys
Entropy, Zentropy and ZENN
From High-Entropy Ceramics to Compositionally Complex Ceramics and Beyond
High Entropy Ceramics: Promises and Problems
Lattice Distortion–Driven Transition from Screw to Edge Dislocation Glide Enhances High-Temperature Strength Retention in Refractory High-Entropy Alloys
Living and Jumping Around in Rough Potentials
Mechanistic Investigation Understanding of Alloying Effects on Catalytically Relevant Features and Subsequent ML Predictions of Adsorption Energies and Electronic Structure in FCC HEAs from DFT, ML and Monte Carlo Simulations
Mixing Ultrahigh Temperature Ceramics: The Role of Enthalpy and Entropy
Predicting Interstitial Elements in Refractory Complex Concentrated Alloys
Predictive Control of Defect Kinetics and Design Damage-Tolerant Concentrated Alloys
Probing Phase Stability in CrMoNbV and HfNbTiV Alloy Systems Using Atomistic Simulations
Rapid On-Demand Synthesis (RODS) of Metallic Structural Materials: An Essential Capability for HEAs
Supply Risk and Cost-Aware Multi-Objective Materials Discovery
Toward Predictive Design of High Entropy Spinels Through Local Structure
Transferability of Universal Machine Learning Interatomic Potentials to Vacancy and Dislocation Defects in Refractory Alloys
Understanding Oxygen Vacancies Energetic in Mg-O Based High Entropy Oxides from DFT
Wide-Temperature Superelasticity of a Zr–Ti–Cu–Ni-Al High-Entropy Alloy

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