New modified embedded-atom method interatomic potential to understand deformation behavior in VNbTaTiZr refractory high entropy alloy

MS Nitol, MJ Echeverria, K Dang, MI Baskes… - Computational Materials …, 2024 - Elsevier
Abstract High Entropy Alloys (HEAs) have attracted much interest over the past 20 years
because of their remarkable mechanical properties. Recent works on BCC refractory HEAs …

Atomistic simulation of local chemical order in NbTiZrMoV high entropy alloy based on a newly-developed interatomic potential

X Duan, J Guo, L Chen, Z Zhang, X Huang, L Liu… - Computational Materials …, 2023 - Elsevier
Numerous studies have demonstrated the importance of local chemical order (LCO) in
influencing the mechanical properties of high entropy alloys (HEAs). However, experimental …

[HTML][HTML] The improvement of room temperature plasticity of refractory high entropy alloy based on different first principles calculation models and experiment …

Y Gao, K Chong, C Liu, Y Cao, T Xue, F Guo… - Journal of Materials …, 2023 - Elsevier
The limited ductility of Refractory High Entropy Alloy (RHEA) at room temperature hinders its
widespread application. However, optimizing their properties through traditional “trial and …

First principles prediction of yield strength of body centered cubic structured high entropy alloys

S Zhang, G Wang - Materials Today Communications, 2023 - Elsevier
High entropy alloys (HEAs) with a body centered cubic (bcc) crystal structure have emerged
as potential high-performance structural materials due to their high strength at room and …

Machine learning accelerated design of non-equiatomic refractory high entropy alloys based on first principles calculation

Y Gao, S Bai, K Chong, C Liu, Y Cao, Y Zou - Vacuum, 2023 - Elsevier
Abstract The properties of High Entropy Alloys (HEAs) strongly depend on the composition
and content of elements. However, it was difficult to obtain the optimized element …

[HTML][HTML] Simulation and Calculation for Predicting Structures and Properties of High-Entropy Alloys

Y Zhang, Y Yue - High Entropy Materials-Microstructures and …, 2022 - intechopen.com
High-entropy alloys (HEAs) have attracted the attention of scholars due to their outstanding
properties such as excellent fracture, and irradiation resistance for various applications …

Titanium alloying enhancement of mechanical properties of NbTaMoW refractory high-Entropy alloy: First-principles and experiments perspective

L Bai, Y Hu, X Liang, Y Tong, J Liu, Z Zhang, Y Li… - Journal of Alloys and …, 2021 - Elsevier
Poor ductility of Refractory high entropy alloys (RHEAs) at room temperature (RT) is the
main problem restricting their practical applications. Alloying is an effective method to …

[HTML][HTML] First-principles design of high strength refractory high-entropy alloys

P Liu, H Zhang, Q Hu, X Ding, J Sun - Journal of Materials Research and …, 2024 - Elsevier
Valence electron concentration (VEC) is widely accepted as an effective guideline for
designing the mechanical properties of Ti-containing refractory high-entropy alloys (RHEAs) …

[HTML][HTML] Prediction of NbTaTiZr-based high-entropy alloys with high strength or ductility: first-principles calculations

Y Wu, Y Zhang, Z Li, Z Liu, E Zhao, J Liu - Journal of Materials Research …, 2024 - Elsevier
Refractory high-entropy alloys (RHEAs) have a great potential in high-temperature
electronics, extensive aerospace and biomedical applications due to their unique strength …

Predicting elastic properties of refractory high-entropy alloys via machine-learning approach

W Mei, G Zhang, K Yu - Computational Materials Science, 2023 - Elsevier
Refractory high entropy alloy (RHEA) is an important family of alloy with excellent
mechanical properties and broad industrial applications. Different chemical and …