Clarifying the four core effects of high-entropy materials

WL Hsu, CW Tsai, AC Yeh, JW Yeh - Nature Reviews Chemistry, 2024 - nature.com
High-entropy materials emerged as a field of research in 2004, when the first research on
high-entropy alloys was published. The scope was soon expanded from high-entropy alloys …

Predictive descriptors in machine learning and data-enabled explorations of high-entropy alloys

A Roy, G Balasubramanian - Computational materials science, 2021 - Elsevier
Located at the intersection of intriguing material phases and potentially superior mechanical
properties, high-entropy alloys (HEAs) have been gaining increasing interest across …

Design considerations for high entropy alloys in advanced nuclear applications

M Moschetti, PA Burr, E Obbard, JJ Kruzic… - Journal of Nuclear …, 2022 - Elsevier
The demanding operating environments of advanced nuclear reactors require the
development of new nuclear materials that can withstand their increased physical, chemical …

Machine-learning-guided descriptor selection for predicting corrosion resistance in multi-principal element alloys

A Roy, MFN Taufique, H Khakurel… - npj Materials …, 2022 - nature.com
More than $270 billion is spent on combatting corrosion annually in the USA alone. As such,
we present a machine-learning (ML) approach to down select corrosion-resistant alloys. Our …

Vacancy formation energies and migration barriers in multi-principal element alloys

A Roy, P Singh, G Balasubramanian, DD Johnson - Acta Materialia, 2022 - Elsevier
Multi-principal element alloys (MPEAs) continue to garner interest as structural and plasma-
facing materials due to their structural (phase) stability and increased resistance to radiation …

[HTML][HTML] Cross-kinks control screw dislocation strength in equiatomic bcc refractory alloys

X Zhou, S He, J Marian - Acta Materialia, 2021 - Elsevier
Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been
the object of much research over the last decade due to their high potential as candidate …

Thermal super-jogs control the high-temperature strength plateau in Nb-Mo-Ta-W alloys

S He, X Zhou, D Mordehai, J Marian - Acta Materialia, 2023 - Elsevier
Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been
the subject of much research over the last decade due to their high potential as candidate …

Vacancy energetics and diffusivities in the equiatomic multielement Nb-Mo-Ta-W alloy

X Zhou, S He, J Marian - Materials, 2022 - mdpi.com
In this work, we study vacancy energetics in the equiatomic Nb-Mo-Ta-W alloy, especially
vacancy formation and migration energies, using molecular statics calculations based on a …

Angular-dependent interatomic potential for large-scale atomistic simulation of W-Mo-Nb ternary alloys

S Starikov, P Grigorev, PAT Olsson - Computational Materials Science, 2024 - Elsevier
We present a new classical interatomic potential designed for simulation of the W-Mo-Nb
system. The angular-dependent format of the potential allows for reproduction of many …

Effect of cooling rate on the phase formation of AlCoCrFeNi high-entropy alloy

P Sreeramagiri, A Roy, G Balasubramanian - Journal of Phase Equilibria …, 2021 - Springer
High-entropy alloys have received significant attention because of remarkable structural
properties exhibited by certain alloy compositions. However, these properties are strongly …