Designing of high entropy alloys with high hardness: a metaheuristic approach

Abstract The near-infinite compositional space of high-entropy-alloys (HEAs) is a huge resource-intensive task for developing exceptional materials. In the present study, an algorithmic framework has been developed to optimize the composition of an alloy with chosen set of elements, aiming to maximi...

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Main Authors: Ansh Poonia, Modalavalasa Kishor, Kameswari Prasada Rao Ayyagari
Format: Article
Language:English
Published: Nature Portfolio 2024-04-01
Series:Scientific Reports
Subjects:
Online Access:https://doi.org/10.1038/s41598-024-57094-y
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author Ansh Poonia
Modalavalasa Kishor
Kameswari Prasada Rao Ayyagari
author_facet Ansh Poonia
Modalavalasa Kishor
Kameswari Prasada Rao Ayyagari
author_sort Ansh Poonia
collection DOAJ
description Abstract The near-infinite compositional space of high-entropy-alloys (HEAs) is a huge resource-intensive task for developing exceptional materials. In the present study, an algorithmic framework has been developed to optimize the composition of an alloy with chosen set of elements, aiming to maximize the hardness of the former. The influence of phase on hardness prediction of HEAs was thoroughly examined. This study aims to establish generalized prediction models that aren’t confined by any specific set of elements. We trained the HEA identification model to classify HEAs from non-HEAs, the multi-labeled phase classification model to predict phases of HEAs also considering the processing route involved in the synthesis of the alloy, and the hardness prediction model for predicting hardness and optimizing the composition of the given alloy. The purposed algorithmic framework uses twenty-nine alloy descriptors to compute the composition that demonstrates maximum hardness for the given set of elements along with its phase(s) and a label stating whether it is classified as HEA or not.
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spelling doaj.art-00cac20ba79b41bca48052d8f0ed727e2024-04-07T11:14:25ZengNature PortfolioScientific Reports2045-23222024-04-0114111310.1038/s41598-024-57094-yDesigning of high entropy alloys with high hardness: a metaheuristic approachAnsh Poonia0Modalavalasa Kishor1Kameswari Prasada Rao Ayyagari2BML Munjal UniversityBML Munjal UniversityBML Munjal UniversityAbstract The near-infinite compositional space of high-entropy-alloys (HEAs) is a huge resource-intensive task for developing exceptional materials. In the present study, an algorithmic framework has been developed to optimize the composition of an alloy with chosen set of elements, aiming to maximize the hardness of the former. The influence of phase on hardness prediction of HEAs was thoroughly examined. This study aims to establish generalized prediction models that aren’t confined by any specific set of elements. We trained the HEA identification model to classify HEAs from non-HEAs, the multi-labeled phase classification model to predict phases of HEAs also considering the processing route involved in the synthesis of the alloy, and the hardness prediction model for predicting hardness and optimizing the composition of the given alloy. The purposed algorithmic framework uses twenty-nine alloy descriptors to compute the composition that demonstrates maximum hardness for the given set of elements along with its phase(s) and a label stating whether it is classified as HEA or not.https://doi.org/10.1038/s41598-024-57094-yComposition optimizationPhase predictionHigh entropy alloysDifferential evolutionHardness prediction
spellingShingle Ansh Poonia
Modalavalasa Kishor
Kameswari Prasada Rao Ayyagari
Designing of high entropy alloys with high hardness: a metaheuristic approach
Scientific Reports
Composition optimization
Phase prediction
High entropy alloys
Differential evolution
Hardness prediction
title Designing of high entropy alloys with high hardness: a metaheuristic approach
title_full Designing of high entropy alloys with high hardness: a metaheuristic approach
title_fullStr Designing of high entropy alloys with high hardness: a metaheuristic approach
title_full_unstemmed Designing of high entropy alloys with high hardness: a metaheuristic approach
title_short Designing of high entropy alloys with high hardness: a metaheuristic approach
title_sort designing of high entropy alloys with high hardness a metaheuristic approach
topic Composition optimization
Phase prediction
High entropy alloys
Differential evolution
Hardness prediction
url https://doi.org/10.1038/s41598-024-57094-y
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AT kameswariprasadaraoayyagari designingofhighentropyalloyswithhighhardnessametaheuristicapproach