[HTML][HTML] Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex …

Y Ikeda, B Grabowski, F Körmann - Materials Characterization, 2019 - Elsevier
Multicomponent alloys with multiple principal elements including high entropy alloys (HEAs)
and compositionally complex alloys (CCAs) are attracting rapidly growing attention. The …

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

O El Atwani, HT Vo, MA Tunes, C Lee… - Nature …, 2023 - nature.com
In the quest of new materials that can withstand severe irradiation and mechanical extremes
for advanced applications (eg. fission & fusion reactors, space applications, etc.), design …

Outstanding radiation resistance of tungsten-based high-entropy alloys

O El-Atwani, N Li, M Li, A Devaraj, JKS Baldwin… - Science …, 2019 - science.org
A body-centered cubic W-based refractory high entropy alloy with outstanding radiation
resistance has been developed. The alloy was grown as thin films showing a bimodal grain …

Cluster expansion method and its application in computational materials science

Q Wu, B He, T Song, J Gao, S Shi - Computational Materials Science, 2016 - Elsevier
As an approximate computation method, cluster expansion is a power series expansion of
the partition function, which was proposed by Mayer in 1941. In computational materials …

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5 Co 0.5, Ni 0.5 Fe 0.5, Ni 0.8 Fe 0.2 and Ni 0.8 Cr 0.2

S Zhao, GM Stocks, Y Zhang - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
It has been shown that concentrated solid solution alloys possess unusual electronic,
magnetic, transport, mechanical and radiation-resistant properties that are directly related to …

Short-range order in high entropy alloys: theoretical formulation and application to Mo-Nb-Ta-VW system

A Fernández-Caballero, JS Wróbel… - Journal of Phase …, 2017 - Springer
In high-entropy alloys (HEAs), the local chemical fluctuations from disordered solute solution
state into segregation, precipitation and ordering configurations are complex due to the …

Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys

H Zheng, LTW Fey, XG Li, YJ Hu, L Qi… - npj Computational …, 2023 - nature.com
Refractory multi-principal element alloys (RMPEAs) are promising materials for high-
temperature structural applications. Here, we investigate the role of short-range ordering …

Enhanced activity for hydrogen evolution reaction over CoFe catalysts by alloying with small amount of Pt

J Chen, Y Yang, J Su, P Jiang, G **a… - ACS applied materials & …, 2017 - ACS Publications
The hydrogen evolution reaction highly relied on Pt electrocatalysts, with high activity and
stability. In the past few years, a host of efforts have been made in the development of novel …

Competition between long-and short-range order in size-mismatched medium-entropy alloys

NC Smith, T Liu, Y **a, C Wolverton - Acta Materialia, 2024 - Elsevier
Chemical short-range order (SRO) is known to alter a wide array of alloy properties. Here,
we investigate the SRO of binary and ternary alloys in the Cr–Mo–W system using density …

Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance

W Chen, X Ding, Y Feng, X Liu, K Liu, ZP Lu… - Journal of Materials …, 2018 - Elsevier
Because atoms in high-entropy alloys (HEAs) coordinate in very different and distorted local
environments in the lattice sites, even for the same type of constituent, their point defects …