An initio study of thermodynamic and fracture properties of CrFeCoNiMnx (0≤x≤3) high-entropy alloys

An initio study of thermodynamic and fracture properties of CrFeCoNiMnx (0≤x≤3) high-entropy alloys

Thermodynamic and fracture properties of CrFeCoNiMnx (0 ≤ x≤3) high-entropy alloys (HEAs) are theoretically investigated by first-principles calculations based on density functional theory and quasi-harmonic Debye model, and the atomic disorder of crystal cell is modeled via special quasi-random str...

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Bibliographic Details
Main Authors: Yu Liu, Wei Liu, Qiong-Yu Zhou, Chao Liu, Tou-Wen Fan, Yuan-Zhi Wu, Zhi-Peng Wang, Ping-Ying Tang
Format: Article
Language:English
Published: Elsevier 2022-03-01
Series:Journal of Materials Research and Technology
Subjects:
High-entropy alloy
First-principles calculations
Thermodynamic property
Formation energy
Electronic entropy
Fracture energy
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785422000138

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http://www.sciencedirect.com/science/article/pii/S2238785422000138

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