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Meeting

2025 TMS Annual Meeting & Exhibition

Symposium

Advances in Multi-Principal Element Alloys IV: Mechanical Behavior

Presentation Title

Cluster-Model-Based Composition Design Method for High-Entropy Alloys

Author(s)

Shuang Zhang, Cunlei Zou, Wanyu Ding, Yajun Zhao, Chuang Dong

On-Site Speaker (Planned)

Shuang Zhang

Abstract Scope

High-performance materials always possess specific chemical compositions, which strongly suggest the possible existence of some molecule-like structural units, in which the versatile but specific compositions are rooted. Our research group proposed the cluster-plus-glue-atom model in 2007, which is a short-range-order structural model that renders any structure with a structural unit consisting of a nearest-neighbor cluster plus a few outer-shell glue atoms. Here, the cluster-plus-glue-atom model is fully presented to show how to uncover the composition origin of high-entropy alloys. Examples are given in various industrial alloys with high-entropy feature, including stainless steels, superalloys, etc. Based on these composition analysis results, Fe-Cr-Ni-based medium- and high-entropy alloys with excellent mechanical properties are designed. The proposition of cluster-model-based molecule-like structural units supports a new perspective for the research of high-entropy alloys, facilitates the understanding of prevailing materials, and can be a useful tool to guide the exploration of new composition space.

Proceedings Inclusion?

Planned:

Keywords

High-Entropy Alloys, Modeling and Simulation, Iron and Steel

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

100+ Fold Acceleration in Multi-Objective Alloy Development: Application of the BIRDSHOT Framework to the Efficient Exploration of FCC HEA Alloy Spaces

A Molecular Dynamics Multi-Particle Model for Modeling Hot-Press Sintering Process of HEAs Combined with Phase-Field Simulation

Achieving High Strength and Ductility in Single-Phase Refractory Multi-Principle-Element Alloys via DFT-Guided Tailoring of Chemical Short-Range Order

Additive Manufacturing of Emerging Complex Alloys

Alloy Design, Microstructure, and Mechanical Properties of CoFeNi Medium Entropy Alloy with Vanadium and Carbon Addition

Bidirectional Transformation in a Low Energy Interface Engineered Metastable High Entropy Alloy Under Dynamic Loading

Characteristic Dislocation Slips in Polycrystalline HfNbTiZr Equi-Atomic Alloy

Cluster-Model-Based Composition Design Method for High-Entropy Alloys

CMT-Associated Superior Mechanical Properties in Multi-Principal Element Alloys

Competition Between Faulting Plasticity and Transformation-Induced Plasticity at Cryogenic Temperatures

Composition Design of Refractory High-Entropy Alloys with Machine Learning Models

Compositional Effect on Microstructure and Deformation Behavior of Metastable Refractory High-Entropy Alloys

Computational Design of Cost-Effective High-Entropy Thermal/Environmental Barrier Coatings

Controllable Structure and Superior Mechanical Properties of Metallic Glasses through Atomic Manufacturing

Damage Tolerance in bcc vs. fcc High-Entropy Alloys

Deciphering the Operative Micromechanisms Affecting the Strain Rate Sensitivity in (FeCrNi)99Si1 Medium Entropy Alloy

Deformation Induced Transformation in Metastability Engineered Alloys

Design of High Performance Fe-Based Superalloys for Elevated Temperature Applications

Design of L12 Precipitation-Strengthened Face-Centered-Cubic High-Entropy Alloys

Development of Ductile Refractory High Entropy Alloys with High Strength via Controlling Cold-Rolling and Annealing Process

Direct Ink Writing and Sintering of Micro-Lattices with Multi-Principal Element Alloys with High Specific Mechanical Properties

Disordered Enthalpy-Entropy Descriptor for High-Entropy Ceramics Discovery

Ductile and Plastic HfTaTiNbZr Refractory High Entropy Alloys Studied with In Situ Neutron Diffraction

E-10: Harnessing Defects for Enhanced Strength in Medium Entropy Alloys

E-11: Heterogeneous Failure Mechanisms in an Eutectic High Entropy Alloy Under High Strain-Rate Loading

E-12: High-Density Nanoprecipitates and Phase Reversion via Maraging Enable Ultrastrong Yet Strain-Hardenable Medium-Entropy Alloy

E-13: In-Situ Compression of Al5Co35CrFe20Ni5 Alloy Studied Using Synchrotron Radiation

E-14: In-Situ Deformation Study of Non-Shearable Nanodispersion Strengthened Refractory Complex Concentrated Alloys

E-15: Investigation of Elastic and Plastic Deformation Behavior of Nature Selected Refractory High Entropy Alloy

E-16: Low Cycle Fatigue of a Medium Entropy Alloy with Short-Range Ordering

E-17: Mechanical Behavior of 16 Refractory High Entropy Alloys Under Compressive and Tensile Stress: A Molecular Dynamics Study

E-18: Microstructural Evolution and Mechanical Behavior of HfTiZrNbx Refractory High-Entropy Alloys Under Different Annealing Conditions

E-19: Microstructure and Mechanical Properties of In-Situ TiC Reinforced TaNbVTi High Entropy Alloy Matrix Composites

E-1: A Machine Learning Approach for the Prediction of Formability and Thermodynamic Stability of Refractory Compositionally Complex Alloy Containing Mo and W

E-20: Modeling Dense Alloys in Discrete Dislocation Dynamics

E-21: Overcoming Strength-Ductility Trade-Off Through Periodic Spinodal Decomposition in Ferrous Medium-Entropy Alloy

E-22: Oxidation Behavior of Low-Density Non-Equiatomic AlCuFeNiTi High Entropy Alloy

E-23: Refractoriness, Thermal Expansion Behavior and Microstructure Stability at 1200�C of an Equimolar Cast CoNiFeCr Alloy and Its Versions with Addition of Titanium or of Tantalum

E-24: Revealing the Deformation Mechanism Competition in Multi-Principal Element Alloys by Nanobending Experiments

E-25: Significant Improvement of Strain Hardening Through Massive Coherent Boundaries in Nano-Lamellar Structured Complex-Concentrated Alloys

E-26: Stretch Formability and Cryogenic Environmental Applicability of Fex(CoNi)90-xCr10 Ferrous Medium-Entropy Alloys

E-27: The Rule of Mixtures, A New Evans-Polanyi-Semenov Relation, and Twinning Predictions for High Entropy Transition Metal Ceramics

E-28: Tribological Stress Field Model Validation by Using Deformation Twins as Probes

E-29: Unveiling Yield Strength of High Entropy Alloys Using Physics-Enhanced Machine Learning Under Diverse Experimental Conditions

E-2: As-Cast Microstructure, Hardness and High Temperature Creep Behavior of an Equimolar CoNiFeCr Alloy; Effects of a Ti or Ta Addition

E-30: Welding-Driven Compositional Heterogeneity Enhances Cryogenic Mechanical Properties in Metastable Ferrous Medium-Entropy Alloy Welds

E-3: Development of γ'-Strengthened Medium-Entropy Alloys with Mitigated Mechanical Instability at Extremely Low Temperatures

E-46: In situ Neutron Diffraction Study on L12-Precipitation-Strengthened (FeCoNi)86Al7Ti7 High Entropy Alloy

E-47: High and Moderate Temperature Deformation Modeling of High Entropy Alloys

E-4: Effect of Microstructure on Hot Deformation and Dynamic Recrystallization Behavior of WMoFeNi MPEA Alloy Regulating Alloy Composition

E-52: Effect of Ti Addition on Strengthening and Deformation Mechanism of Ni-Rich High Entropy Alloy Synthesized via Spark Plasma Sintering: An Experimental and Atomistic Approach

E-5: Effect of Processing Route on the Morphology of Fe-Rich Phase and Concurrent Mechanical Response in Cu-Rich Compositionally Complex Alloy

E-6: Effects of Molybdenum and Silicon Co-doping on Microstructures and Mechanical Properties of CoCrNi Medium Entropy Alloy

E-7: Enhanced Strain Hardening During Plastic Deformation of FCC Multi-Principal Element Alloys with L12 Nanodomains

E-8: Establishing Composition-Temperature-Grain-Strength Relationship of FCC Complex Concentrated Alloys

E-9: Expansion of Natural Mixing Guided Design via Understanding the Solidification Behavior

E50: Enhancement of Mechanical Properties of Ni-Based ODS HEA by Optimization of Oxide Dispersoid Content

Effect of SFE on Mechanical Properties in Co-Cr-Mo-Ni Medium Entopy Alloys

Effects of Cerium Addition and Post-Annealing on Microstructures and Mechanical Properties of CoCrNi Medium Entropy Alloy Films

Electronic Descriptors for Dislocation Deformation Behavior and Intrinsic Ductility in bcc High-Entropy Alloys

Engineering Multi-Principal Element Alloys for Hard Metal Binders

Exploring Innovative Nanoscale Structures and Phases in High-Entropy Alloy Nanoparticles Through Femtosecond Laser Ablation

Factors Affecting Calculated Properties of High-Entropy Alloys (HEAs) Using Density Functional Theory

Formation of Local Chemical Ordering in FCC HEAs and Its Effect on the Deformation Behaviors

Fracture Resistance of Refractory High-Entropy Alloys

Fracture Toughness and Deformation Mechanisms in Cantor-Based Medium Entropy Alloys

From High-Entropy Ceramics (HECs) to Compositionally Complex Ceramics (CCCs): A Review and New Perspective

High-Throughput Multiscale Modeling of Solidification of Refractory High Entropy Alloys

High Entropy Alloys- The Intrigue

High Temperature Wear and Deformation Behavior of Compositionally Complex Oxide Formed on Metal Surfaces

Impact of Elemental Additions on Elastic and Plastic Behavior of Refractory Multi-Principal-Element Alloys

Intermetallic Alloys: Ductility, Structural Order, and High Entropy or Not

Interplay Between Lattice Distortion and Bond Stiffness Towards Strengthening of Refractory BCC High Entropy Alloys

Interstitial Engineering of BCC Refractory Multi-Principal Element Alloys and their Dislocation Pathways

Investigating Composition-Structure-Property Relationships in Nb-V-Zr-X Alloys Using a High-Throughput Synthesis Approach

Investigating the Exceptional Creep Behavior of Al0.3CoCrFeNi Multi-Principal Element Alloys Through Crystal Plasticity Finite Element Method

Investigation of Mechanical and Corrosion Behavior of Nitinol for Biomedical Implant Applications

Investigation of Short-Range Order and Its Impact on Mechanical Properties of AlCoCrFeNi High-Entropy Alloys Using Atomistic Simulations and Data Analytics

Kink Bands Promote Exceptional Fracture Resistance in a NbTaTiHf Refractory High-Entropy Alloy

Large-Language Model-Assisted High Entropy Alloy Design: Knowledge Transfer and Hypothesis Generation

Light Single-Phase Al-Based Complex Concentrated Alloy with High Specific Strength

Macroscopically-Smooth Plastic Flow in an Al-Containing High-Entropy Alloy: Unveiling Multiscale Complexity in a Mesoscopic Range

Martensitic Phase Transformation and Anomalous Hardening in CrMnFeCoNi High-Entropy Alloy

Material Design for Nuclear Applications, High Entropy Alloys in Extreme Environments

Measuring the Entropy of High Entropy Alloys

Microstructure and Mechanical Properties of New Compositionally-Complex Fe-Cr-Mn-Al Ferritic Stainless Steels Free of σ-Phase, χ-Phase and 475 °C Embrittlement

Microstructure and Mechanical Property Changes in Ion Irradiated MPEAs

Multiple Origins of Extra Electron Diffractions in FCC Multiple Principal Element Alloys

Nanoindentation and AFM-Based Evaluation of Cold-Sprayed Stable Nanocrystalline High-Entropy Alloy Coatings

Neutron and Synchrotron Diffraction Methods for Unveiling Structural Evolution in Complex and Off-Equilibrium Alloys

On the Damage Tolerance of TiZrNbHfTa Refractory High-Entropy Alloys

Precipitation/TRIP-Induced Heterogeneous Microstructures in Non-Equiatomic CoCrNi Medium Entropy Alloys to Achieve Superior Strength-Ductility Combination

Quantification of Lattice Distortions in Complex Concentrated Alloys by X-Ray Diffuse Scattering

Ramifications of Introducing Local Chemical Ordering in FCC-Based High Entropy Alloys and Its Manifestations on the Bulk Mechanical Properties via Slip Planarity

Scanning Tunneling Microscopy for High Entropy Materials

Sequential Mechanical Alloying of AlNbTaTiV Particles: Phase Formation and Microstructural Evaluation

Sheet Formability of CoCrFeMnNi High-Entropy Alloy

Short-Range Ordering and Local Elastic Properties in MoNbTaW

Short Range Chemical Ordering in HEA Investigated by X-Ray Diffuse and Resonant Scattering

Short Range Order and the Evolution of Deformation Mechanisms in the CrCoNi Medium Entropy Alloy

Significance of Grain Refinement on the Nanomechanical Behavior of Multi-Principal Alloys

Single-Crystal Mechanical Properties of FCC High-Entropy Alloys

Stability of the B2 Phase in Al-Nb-Ta-Ti-Zr Refractory High-Entropy Superalloys: Resolving Identification Conflicts and Offering Practical Solutions

Stoichiometry and Microstructure-Dependent Hardness-Mapping Prediction and Verification for High-Entropy Alloys

Strain-Rate and Temperature Effects on Deformation Behaviors in Body-Centered-Cubic (BCC) Phase Refractory High-Entropy Alloys (RHEAs)

Strength-Ductility Synergies in CuCoFeMnNi High-Entropy Alloys: Effects of Deformation and Recrystallization

Strong and Ductile High Temperature Multicomponent Soft Magnet Through Widmanst�tten Precipitates

Study of the Serration Deformation Mechanisms at 15 K

Study on Superplastic Behavior of L21 Precipitate-Hardened BCC High Entropy Alloy

Superior High-Temperature Strength in a Supersaturated Refractory High-Entropy Alloy

Temperature Dependent Screw Dislocation Dynamics in MoNbTi and TaNbTi Multi-Principal Element Alloys

The Thermodynamics of Mechanical Behavior in BCC Refractory Compositionally Complex Alloys

Theory Guided Combinatorial Design of Metastable High Entropy Alloys

Thin Film Combinatorial Sputtering of Multiple-Principal Element Alloys for Rapid Materials Discovery

Ubiquitous Short-Range Order in Multi-Principal Element Alloys and Its Impact on the Mechanical Behaviors

Ultrahigh Strength Triggered by BCC and B2 Eutectic-Phase Interfaces in a Novel Fe30Cr15V15Ni20Al20 High Entropy Alloy

Ultrahigh Temperature Tensile Deformation Mechanisms of Multi-Principal Element Alloys

Unexpected Intermetallic Plasticity Within Lightweight, Low Cost, and Corrosion-Resistant Compositionally Complex Alloys (CCAs) Containing FCC and L21 Heusler Phases

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