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Meeting Materials Science & Technology 2012
Symposium Fundamental Understanding of High-Entropy Alloy Formation and their Properties
Presentation Title The Stability and Stiffness of TaNbHfZrTi Alloy from First Principles Simulation
Author(s) Jialin Lei, Shengmin Guo, Ebrahim Khosravi, Shizhong Yang
On-Site Speaker (Planned) Jialin Lei
Abstract Scope Metallic alloys with superior mechanical and functional properties remain in high demand for the aerospace industry. A new strategy for achieving stable, multi-component, high-temperature alloys has recently been proposed. It has been reported from experiment that the new refractory alloy, TaNbHfZrTi, has predominantly a single-phase body-centered cubic (BCC) structure. The alloy has high compression yield strength, good RT ductility, considerable strain hardening, and homogeneous deformation. To compared the experimental results, the first principles density functional theory simulation has been performed. The elastic property, electronic structure, optical property, and thermal dynamics property are reported.
Proceedings Inclusion? Definite: A CD-only volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Combinatorial Approach to Investigations of High Entropy Alloys
AlxCrFe1.5MnNi0.5 High-Entropy Alloys
An Ab Initio Approach to the Study of High Entropy Alloys
An Initial Evaluation of AlFeMnTiZn and AlFeMgTiZn High Entropy Alloys Produced by Mechanical Alloying
Chemical Ordering in High-Entropy Alloys from Anomalous X-ray Diffraction
Computational Thermodynamics Aided High-Entropy Alloy Design
Electron-Irradiation Induced Defects and Recovery Kinetics in a High-Entropy Alloy
Elevated-Temperature Corrosion Resistance of CoCrCuFeNiAl High-Entropy Alloys
Enhanced Diffusion-Resistant Ability of Multi-component Barriers: from Unitary Ti and TiN to Senary TiTaCrZrAlRu and (TiTaCrZrAlRu)N
Experimental Study of Local and Long-Range Atomic Ordering in the High-Entropy AlxCoCrCuFeNi Alloys during Solidification.
Extracting Materials Properties from Crackling Noise and Slip Avalanche Statistics of Slowly Sheared Materials
Fatigue Behavior of Al0.5CoCrCuFeNi High-Entropy Alloys
First-Principles Simulations and Neutron Scattering Studies of High-Entropy Bulk Metallic Glasses
First-Principles Simulations of High-Entropy AlxCoCrCuFeNi Alloys
High-Entropy Alloys
High-Entropy Alloys FeCoNiAlxSix with High Saturation Magnetization and Electrical Resistivity
High Entropy Alloys - Perspective and Potential for Aerospace Applications
High Entropy Family Based on the W6Fe7 Prototype
High Entropy Refractory Alloys with Reduced Density and Improved Oxidation Resistance
High Temperature Tensile and Oxidation Properties of some High Entropy Alloys
Inter-Transition High-Entropy Glassy Alloys
Irradiation Resistance of High-Entropy Alloys
Low Temperature Mechanical Behavior of the Al0.5CoCrCuFeNi High-Entropy Alloy
Mechanical Behavior of High-Entropy Alloys
Mechanical Properties of High Entropy Alloys from Atomic Simulation: Challenges, Methods, and Predictions
Microstructure and Properties of Cu2.0AlCrFeNi High-Entropy Alloy
Microstructures and Mechanical Behaviors of Nb-Ti-V-Mo-Zr-Ta-Al High-entropy Alloys
Nature of Entropies and Their Implications in High-Entropy Alloys
Prediction of Phase Formation for the High-Entropy Alloys
Preparation of fcc HEAs by Mechanical Alloying and the Measurement of Their Stacking Fault Energies
Relaxation Behaviors of AlxCoCrFeNi High-Entropy Alloys by Dynamic Mechanical Analyzer
Simulation on Nb-Based Alloy for a Nb2AlC Bond Coat
Single Phase CrCoCuFeNi High-entropy Alloy Films: Microstructure, and Mechanical Behaviors
Sintering and Thermal Stability Studies on NiCoCrFe High Entropy Alloy
Stress Induced Spatial and Temporal Nano-Crystallization in Fe-Si-B Amorphous Ribbons by Laser Processing: Microstructure and Thermal Model Study
Tensile Behavior and Fracture Mechanism of AlCoCrFeNi High-Entropy Alloy Subjected to Hot Isostatic Pressing and Annealing
The Stability and Stiffness of TaNbHfZrTi Alloy from First Principles Simulation

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