First-principles investigation of local atomic environment and its impact on properties in non-equiatomic CoCrFeNi high-entropy alloys

First-principles investigation of local atomic environment and its impact on properties in non-equiatomic CoCrFeNi high-entropy alloys

Employing first-principles calculations, the local atomic environment (LAE), including local lattice distortion (LLD), charge transfer effect (CTE), and short-range order (SRO), was investigated in 105 sets of non-equiatomic CoCrFeNi high-entropy alloys (HEAs). A predictive model for lattice constan...

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Bibliographic Details
Main Authors: Qingxu Tian, Fuhui Chen, Peter K. Liaw, Yang Tong, Shuying Chen, Fanchao Meng
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Journal of Materials Research and Technology
Subjects:
High-entropy alloys
Local lattice distortion
Charge transfer effect
Short-range order
Machine learning
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785425000018
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