Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization

Designing new alloys with high performance is challenging due to the large search space for composition and process parameters. We propose an alloy design strategy based on machine learning algorithms for navigating the enormous search space. Specifically, feature engineering was applied to screen t...

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Main Authors: Longjian Li, Jinchuan Jie, Xiaoyu Guo, Gaojie Liu, Huijun Kang, Zongning Chen, Enyu Guo, Tongmin Wang
Format: Article
Language:English
Published: Taylor & Francis Group 2025-02-01
Series:Materials Research Letters
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/21663831.2024.2424933
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author Longjian Li
Jinchuan Jie
Xiaoyu Guo
Gaojie Liu
Huijun Kang
Zongning Chen
Enyu Guo
Tongmin Wang
author_facet Longjian Li
Jinchuan Jie
Xiaoyu Guo
Gaojie Liu
Huijun Kang
Zongning Chen
Enyu Guo
Tongmin Wang
author_sort Longjian Li
collection DOAJ
description Designing new alloys with high performance is challenging due to the large search space for composition and process parameters. We propose an alloy design strategy based on machine learning algorithms for navigating the enormous search space. Specifically, feature engineering was applied to screen the major features, and a three-step alloy design strategy was employed to extract the required composition. The material design strategy for the multi-performance optimization of Cu-Ni-Si alloy through Bayesian optimization was proposed. This work provides novel insights into the comprehensive properties of Cu-Ni-Si alloys using machine learning with small data, with potential applicability to other materials systems.
format Article
id doaj-art-a7e412ffbdad48969c8cc3121fb9eded
institution DOAJ
issn 2166-3831
language English
publishDate 2025-02-01
publisher Taylor & Francis Group
record_format Article
series Materials Research Letters
spelling doaj-art-a7e412ffbdad48969c8cc3121fb9eded2025-08-20T03:22:18ZengTaylor & Francis GroupMaterials Research Letters2166-38312025-02-011329410210.1080/21663831.2024.2424933Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimizationLongjian Li0Jinchuan Jie1Xiaoyu Guo2Gaojie Liu3Huijun Kang4Zongning Chen5Enyu Guo6Tongmin Wang7Key Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaKey Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, People’s Republic of ChinaDesigning new alloys with high performance is challenging due to the large search space for composition and process parameters. We propose an alloy design strategy based on machine learning algorithms for navigating the enormous search space. Specifically, feature engineering was applied to screen the major features, and a three-step alloy design strategy was employed to extract the required composition. The material design strategy for the multi-performance optimization of Cu-Ni-Si alloy through Bayesian optimization was proposed. This work provides novel insights into the comprehensive properties of Cu-Ni-Si alloys using machine learning with small data, with potential applicability to other materials systems.https://www.tandfonline.com/doi/10.1080/21663831.2024.2424933Machine learningfeature engineering screeningCu-Ni-Si alloymulti-objective optimization
spellingShingle Longjian Li
Jinchuan Jie
Xiaoyu Guo
Gaojie Liu
Huijun Kang
Zongning Chen
Enyu Guo
Tongmin Wang
Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
Materials Research Letters
Machine learning
feature engineering screening
Cu-Ni-Si alloy
multi-objective optimization
title Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
title_full Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
title_fullStr Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
title_full_unstemmed Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
title_short Accelerated composition-process-properties design of precipitation-strengthened copper alloys using machine learning based on Bayesian optimization
title_sort accelerated composition process properties design of precipitation strengthened copper alloys using machine learning based on bayesian optimization
topic Machine learning
feature engineering screening
Cu-Ni-Si alloy
multi-objective optimization
url https://www.tandfonline.com/doi/10.1080/21663831.2024.2424933
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AT xiaoyuguo acceleratedcompositionprocesspropertiesdesignofprecipitationstrengthenedcopperalloysusingmachinelearningbasedonbayesianoptimization
AT gaojieliu acceleratedcompositionprocesspropertiesdesignofprecipitationstrengthenedcopperalloysusingmachinelearningbasedonbayesianoptimization
AT huijunkang acceleratedcompositionprocesspropertiesdesignofprecipitationstrengthenedcopperalloysusingmachinelearningbasedonbayesianoptimization
AT zongningchen acceleratedcompositionprocesspropertiesdesignofprecipitationstrengthenedcopperalloysusingmachinelearningbasedonbayesianoptimization
AT enyuguo acceleratedcompositionprocesspropertiesdesignofprecipitationstrengthenedcopperalloysusingmachinelearningbasedonbayesianoptimization
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