First principles calculation and corrosion resistance study of Fe60CrxNi40-x medium entropy alloy

W Wang, D Wu, Y Gao, Z Zhu, Y Zou - Materials Today Communications, 2024 - Elsevier
Abstract In this paper, Fe 60 Cr x Ni 40-x medium entropy alloys (MEAs) were synthesized
through vacuum arc melting. Based on the plane wave pseudo-potential and density …

[HTML][HTML] Revealing the Interface Characteristic and Bonding Ability of CoCrFeNi High Entropy Alloy/Al Composite by First-Principles Calculations

Y Liu, Y Gao, J Chen - Materials, 2023 - mdpi.com
In this work, the interfacial atomic bonding process and atom-matching structure of Al atoms
deposited on the crystal plane of CoCrFeNi HEA were investigated by first-principles …

Comparative analysis of inorganic lead halide perovskites with promising (Mg+2)-doped for optoelectronic applications: a computational insights

M Babar, AW Anwar, M Moin, MA Ahmad… - Optical and Quantum …, 2024 - Springer
This paper presents a comprehensive analysis of the crystal structure, electronic
characteristicsmechanical and optical responses of CsPbBr3, CsPbCl3, CsPbI3 and Mg+ 2 …

[HTML][HTML] First-principles calculation of phase transitions and mechanical properties of (CoCrNi) 100− xAlx (0≤ x≤ 28 at.%) high-entropy alloys

L Li, S Zhai - AIP Advances, 2024 - pubs.aip.org
In the two-phase high-entropy alloys (HEAs)(ie, FCC, BCC), the modulation of the BCC
phase is crucial for improving the mechanical properties of FCC-type HEAs. The stability of …