ProgramMaster Logo
Conference Tools for 2022 TMS Annual Meeting & Exhibition
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Advances in Multi-Principal Elements Alloys X: Structures and Modeling
Presentation Title High-throughput Mapping and Screening of Refractory High Entropy Alloy Property Space
Author(s) Brent G. Vela, Tanner Kirk, Prashant Singh, William Trehern, Kadri Can Atli, Raymundo Arroyave, Ibrahim Karaman
On-Site Speaker (Planned) Brent G. Vela
Abstract Scope The continued development of gas turbine engines demands machinable low density materials capable of enduring temperatures exceeding 1000C, creep, fatigue crack growth, and oxidation. Refractory High Entropy Alloys (RHEAs), alloys consisting of 4 or more refractory principal alloying components, have been proposed to meet these stringent operating requirements. However, the compositional complexity that endows these alloys with their unique properties also creates a combinatorically vast alloy space that is not easily explored. In this work we demonstrate an alloy design approach to identify regions of the RHEA design space that may meet performance constraints required in modern gas turbine engines. High-throughput CALPHAD, DFT, and analytical model calculations were performed to obtain alloy properties across the Al-Mo-Nb-Ta-V-W RHEA space, while t-distributed stochastic neighbor embedding (t-SNE) was used to visually map this property space. Alloys were filtered according to performance constraints and regions of feasibility were identified in this senary composition space.
Proceedings Inclusion? Planned: TMS Journal: Metallurgical and Materials Transactions
Keywords High-Entropy Alloys, High-Temperature Materials, Computational Materials Science & Engineering

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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)

Questions about ProgramMaster? Contact programming@programmaster.org