Non-equimolar (Hf,Zr,Ta,W)B2 high-entropy diborides enable superior oxidation resistance

Z Wen, H Meng, S Jiang, Z Tang, Y Liu, Y Chu - Science China Materials, 2023 - Springer
Developing superior oxidation resistance of high-entropy diborides is critical for extending
their potential applications in harsh environments. Herein, we developed non-equimolar (Hf …

High-temperature oxidation behaviors of an equiatomic CrMnFeCoNi high entropy alloy

D Jiang, Z Li, J Xu, Q Ren, SO Agbedor, Q Lei - Materials Today …, 2022 - Elsevier
Due to the limited information in the literature on the oxidation mechanism of high-entropy
alloys, we have investigated the high temperature oxidation behavior of an equiatomic Cr 20 …

[HTML][HTML] Mo-Re-W alloys for high temperature applications: Phase stability, elasticity, and thermal property insights via multi-cell Monte Carlo and machine learning

TD Doležal, NA Valverde, JA Yuwono, RA Kemnitz - Materials & Design, 2024 - Elsevier
The increasing demand for materials capable of withstanding high temperatures and harsh
environments necessitates the discovery of advanced alloys. This study introduces a …

A computational approach for mapping electrochemical activity of multi-principal element alloys

JA Yuwono, X Li, TD Doležal, AJ Samin, JQ Shi… - npj Materials …, 2023 - nature.com
Multi principal element alloys (MPEAs) comprise an atypical class of metal alloys. MPEAs
have been demonstrated to possess several exceptional properties, including, as most …

Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking

S Han, S Lysgaard, T Vegge, HA Hansen - npj Computational Materials, 2023 - nature.com
Surface phase diagrams (SPDs) are essential for understanding the dependence of surface
chemistry on reaction condition. For multi-component systems such as metal alloys, the …

Prediction of the catalytic mechanism of hydrogen evolution reaction enhanced by surface oxidation on FCC_CoCrFeNi and Co0. 35Cr0. 15Fe0. 2Mo0. 1Ni0. 2 multi …

L Weng, X Zhang, L Su, C Qian, Q Cai, T Xie… - Applied Surface …, 2024 - Elsevier
Some multi-principal element alloy (MPEA) catalysts may exhibit the ability to promote the
hydrogen evolution reaction (HER) and maintain stability under acidic conditions. Here, we …

The design of aluminum-matrix composites reinforced with AlCoCrFeNi high-entropy alloy nanoparticles by first-principles studies on the properties of interfaces

Y Liu, G Zheng - Nanomaterials, 2022 - mdpi.com
The present work reports the interfacial behaviors and mechanical properties of AlCoCrFeNi
high-entropy alloy (HEA) reinforced aluminum matrix composites (AMCs) based on first …

[HTML][HTML] Unveiling the oxidation mechanism of CrTaTiMo refractory medium-entropy alloys: A synergy of density functional theory and ab initio molecular dynamics

X Wang, A Hobhaydar, Y Wang, D Wexler, H Li… - Materials & Design, 2024 - Elsevier
The demand for advanced materials capable of withstanding extreme high-temperature
conditions has led to the development of novel High-Entropy Alloys (HEAs). Recent works …

Oxidation of NiCr and NiCrMo alloys at low temperatures

C Volders, G Ramalingam, V Angelici Avincola… - …, 2023 - meridian.allenpress.com
Oxidation of Ni-Cr and Ni-Cr-Mo was studied in operando with near ambient pressure x-ray
photoelectron spectroscopy in the Cabrera-Mott regime. The oxidation temperature was 200 …

A Study on the Early Stages of Degradation of Multi-component Alloy Surfaces in Extreme Environments Using the Multi-cell Monte Carlo Method

TD Dolezal - 2022 - scholar.afit.edu
A computational toolset is presented and used in two examples that examined the
interactions between structural materials and their extreme environments. A multi-cell Monte …