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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Advances in Multi-Principal Elements Alloys X: Structures and Modeling
Sponsorship TMS Functional Materials Division
TMS Structural Materials Division
TMS: Alloy Phases Committee
TMS: Mechanical Behavior of Materials Committee
Organizer(s) Peter K. Liaw, University of Tennessee
Michael C. Gao, National Energy Technology Laboratory
E-Wen Huang, National Chiao Tung University
Jennifer LW Carter, Case Western Reserve University
Srivatsan S. Tirumalai, The University of Akron
Gongyao Wang, Alcoa Technical Center
Scope This symposium will offer the opportunities for discussions and presentations on the current research regarding the experimental and theoretical studies on the mechanical behavior, microstructures, and fabrication of multi-principal elements alloys (MPEAs) or high-entropy alloys (HEAs).

BACKGROUND AND RATIONALE: MPEAs, which often consist of five or more elements, typically consist of solid-solution phases in the form of face-centered-cubic (FCC), body-center-cubic (BCC), and hexagonal close-packed (HCP) structures. MPEAs possess desirable properties, including excellent ductility, exceptional corrosion and oxidation resistance, irradiation stability, high strength, fatigue and wear resistance. These aspects make MPEAs potential candidates for use in structural, energy, mechanical, and biomedical fields. Furthermore, recent research has suggested that there is potential for the development of novel MPEAs with functional properties that far exceed those of conventional materials.

Topics of interest include but not limited to:
(1) Mechanical behavior, such as plastic deformation, creep, fatigue, and fracture
(2) Metastable MPEAs
(3) Microstructural control of material behavior (i.e., physical, mechanical, corrosion, magnetic electric, irradiation, thermal, and biomedical behavior, etc.)
(4) Material fabrication and processing, such as homogenization, nanomaterials, additive manufacturing, and grain-boundary engineering
(5) Theoretical modeling and simulation using advanced computational techniques, such as CALPHAD modeling, molecular dynamics, density functional theory, Monte Carlo, as well as phase-field and finite-elements methods
(6) Advanced characterization methods, including in situ transmission electron microscopy, neutron scattering, electron backscatter diffraction, and three-dimensional (3D) atom probe,
(7) Thermodynamics and diffusivity: measurements and modeling, and
(8) Industrial applications

This Symposium focuses on the structural characterization, theoretical calculation, and modeling of MPEA.

Abstracts Due 07/01/2021
Proceedings Plan Planned: TMS Journal: Metallurgical and Materials Transactions

A-12: KMC Modeling of Screw Dislocation Strength in Equiatomic bcc Refractory Alloys
A-13: Phase Transition Zones in Compositionally Complex Alloy Films
A High-throughput Investigation of Microstructure-property Relationships in NbVZr
A Method to Predict Fluctuations in the Fault Energy Landscape of FCC Solid Solutions
Atomistic Modeling of Diffusive High Temperature Plasticity in BCC Refractory-based MPEAs
Atomistic Modeling of Vacancy Concentration and Tracer Diffusion in Ni-CoCrFeMn Alloys
Atomistic Simulations of Mechanical Responses and Defect Activities in B2 Low-to-high-entropy Intermetallic Compounds
Beyond Configurational Entropy: A Harmonic Multi-principal Elements Alloy
Characterization of High-entropy Titanate Pyrochlore Oxide Single Crystals
Chemical Randomness and Lattice Distortions in Multi-principal Elements Alloys: Advances in Characterization
Combination of High Throughput Experiments and ICME Approaches to Discover the Composition Space for Lightweight High Entropy Alloys
Computational Study of Thermodynamic and Thermoelectric Properties of Al-Co-Cr-Fe-Ni and Al-Cu-Fe-Mn-Ni High-entropy Alloys
Controlling Short-range Ordering to Simultaneously Enhance Strength and Ductility of High-entropy Alloys
Critical Shear Stress Distributions and Dislocation Mobility in FeNiCrCoCu High Entropy Alloys via Atomistic Simulations
Data-driven Discovery of High-entropy Alloys
Developing Interatomic Potentials for High Entropy Alloys
Development of Novel Refractory High-entropy Alloys via High-throughput Alloy-design Approach
Dislocation Motions in Refractory Multi-principal Alloys and Effects of Chemical Order and Disorder
Effective Atomic Size in Multi-principal Element Alloys
Effects of Short-range Order on Thermodynamic Properties of AlxCoCrFeNi High-entropy Alloys
Electron Diffraction-based Studies of Ordering and Mechanical Behavior in FCC and BCC Multi-principal Element Alloys
Energy Landscape of Deformation Twinning in Multi-principal Elements bcc Alloys
Expediting the Materials Discovery Process of MPEAs through Efficient Coupling of High-throughput Density Functional Theory, Molecular Dynamics and Machine Learning Techniques
Experimental, Theoretical, and Numerical Study for Dynamic Strain Aging in HfNbTaTiZr High-entropy Alloys
Exploration of Refractory Complex Concentrated Alloys through the Use of High-throughput Calculations and Experimentation
Factors Affecting Stacking Fault Energy in Concentrated Alloys Using Density Functional Theory and Machine Learning
First-principles-based High-throughput Prediction of the Phase Stability of Refractory Complex Concentrated Alloys
First-principles Exploration of Diffusion Activation Energy in CoCrNi and CoCrFeNiMn High-entropy Alloys, with Comparison to Creep Activation Energy
First-principles Study of Quaternary High Entropy Alloys Consisting of Fe-Ni-Co-Cr-Mn/Pd
High-throughput Ion Irradiation and Microstructural Characterization of Multi-principal-element Alloys
High-throughput Mapping and Screening of Refractory High Entropy Alloy Property Space
High Thermal Stability B2 Precipitates in a Ru-containing Multi-principal Element Alloy
In-situ 4D-STEM Imaging of the Synergistic Deformation Mechanisms Responsible for the Fracture Resistance in CrCoNi
Interactions between a Dislocation and a Twin Boundary/HCP Lamella and Their Temperature Dependence in Ni-based Equiatomic Alloys
Interplay between Dislocations and Correlated Stress Environment in Random Alloys
Jerky Dislocation Motion in Multi-principal Element Alloys: From Atomic Peierls Stress to Dislocation Mobility
Local Configuration Effects on Vibrational Properties of BCC MPEAs
Machine Learning Enabled Defect Energies Prediction in Concentrated Alloys
Machine Learning Guided Descriptor Selection for Predicting Corrosion Resistance in Multi-principal Element Alloys (MPEAs)
Magnetism in Metastable and Annealed HEAs of (FeNiCrMn)
Mechanical Properties and Deformation Behavior of a Refractory Multiprincipal Element Alloy under Cyclic Loading
Melting Temperature Prediction of Multi-principal Elements Alloys Using Ab-initio Calculations
Metastability and Phase Selection in High Entropy Alloys
Microstructural Inversion Accompanied by B2 to hP18 Phase Transformation in a BCC Based Refractory Complex Concentrated Alloy
Microstructure and Mechanical Properties of Medium-entropy Alloys with High-density Nano Precipitates
Mixing and Diffusion at Internal Interfaces in High Entropy Alloys
Modeling the Effect of Stress and Composition on the Stability of Lomer/Lomer-Cottrell Dislocations
Multiscale Dynamics of the Oxide Scale in High-entropy Alloys
Multiscale Modeling and Design of High Entropy Alloys
Novel Co-free Multi Principal Element Alloys (MPEAs) for Nuclear Applications: Computational Design and Experimental Evaluation
NOW ON-DEMAND ONLY - Design of High Temperature RCCAs Using Ordered Thermally Stable Structures
NOW ON-DEMAND ONLY - Theory of Yield Strength in BCC High Entropy Alloys
Phase Field Modelling of Transformation Pathways and Microstructural Evolution in Multi-principal Element Alloys (MPEAs)
Predicting Fundamental Properties of Refractory Multicomponent Alloys Using Electronic Descriptors and Statistical Learning
Simulations of Deformation and Fracture in Multi-principal Element Alloys
Size Effects in a Dual Phase High Entropy Alloy
Slip Localization in the Refractory High Entropy Alloy HfNbTaTiZr at Room Temperature
TEM Study of a Refractory Complex Concentrated Alloy with BCC/B2 Microstructure
The Impact of Short-range Order on Atomic Diffusions in Multi-principal Elements Alloys
Transformation Behavior and Superelasticity of TiZrHfNiCoCu Multi-component High-temperature Shape Memory Alloys
Understanding Chemical Short-range Ordering/Demixing Coupled with Lattice Distortion in Solid Solution High Entropy Alloy
Vacancy Defects: Formation Energy and Migration Paths in Multi-principal-element Alloys (MPEAs)

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