High-Throughput Exploration of Refractory High-Entropy Alloys for Strength and Plasticity

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Hauptverfasser: Giles, Stephen A., Shortt, Hugh, Liaw, Peter K., Sengupta, Debasis
Format: Preprint
Veröffentlicht: 2025
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author Giles, Stephen A.
Shortt, Hugh
Liaw, Peter K.
Sengupta, Debasis
author_facet Giles, Stephen A.
Shortt, Hugh
Liaw, Peter K.
Sengupta, Debasis
contents Refractory high-entropy alloys (RHEAs) are compositionally complex materials which have been demonstrated to have the potential for exceptional strength at high operating temperatures. However, their composition space is vast, and other property requirements, such as acceptable plasticity at room-temperature, must be met. Here, we leverage recently published, state-of-the-art deep learning models to predict compressive yield strength at 1,000 °C and room-temperature plasticity of >100,000 RHEAs. Multiple candidate materials were identified which exhibited exceptional balance between strength and plasticity. Upon experimental synthesis, multiple candidates were proven to outperform any previously reported RHEAs for simultaneous strength and plasticity. Our work demonstrates the power of data-driven approaches for rapid materials design, and enables continued multi-property optimization and materials discovery.
format Preprint
id arxiv_https___arxiv_org_abs_2511_16057
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle High-Throughput Exploration of Refractory High-Entropy Alloys for Strength and Plasticity
Giles, Stephen A.
Shortt, Hugh
Liaw, Peter K.
Sengupta, Debasis
Materials Science
Refractory high-entropy alloys (RHEAs) are compositionally complex materials which have been demonstrated to have the potential for exceptional strength at high operating temperatures. However, their composition space is vast, and other property requirements, such as acceptable plasticity at room-temperature, must be met. Here, we leverage recently published, state-of-the-art deep learning models to predict compressive yield strength at 1,000 °C and room-temperature plasticity of >100,000 RHEAs. Multiple candidate materials were identified which exhibited exceptional balance between strength and plasticity. Upon experimental synthesis, multiple candidates were proven to outperform any previously reported RHEAs for simultaneous strength and plasticity. Our work demonstrates the power of data-driven approaches for rapid materials design, and enables continued multi-property optimization and materials discovery.
title High-Throughput Exploration of Refractory High-Entropy Alloys for Strength and Plasticity
topic Materials Science
url https://arxiv.org/abs/2511.16057