Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses

Abstract Glass-forming ability (GFA) of bulk metallic glasses (BMGs) is a determinant parameter which has been significantly studied. GFA improvements could be achieved through trial-and-error experiments, as a tedious work, or by using developed predicting tools. Machine-Learning (ML) has been used...

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Main Authors: Alireza Ghorbani, Amirhossein Askari, Mehdi Malekan, Mahmoud Nili-Ahmadabadi
Format: Article
Language:English
Published: Nature Portfolio 2022-07-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-15981-2
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author Alireza Ghorbani
Amirhossein Askari
Mehdi Malekan
Mahmoud Nili-Ahmadabadi
author_facet Alireza Ghorbani
Amirhossein Askari
Mehdi Malekan
Mahmoud Nili-Ahmadabadi
author_sort Alireza Ghorbani
collection DOAJ
description Abstract Glass-forming ability (GFA) of bulk metallic glasses (BMGs) is a determinant parameter which has been significantly studied. GFA improvements could be achieved through trial-and-error experiments, as a tedious work, or by using developed predicting tools. Machine-Learning (ML) has been used as a promising method to predict the properties of BMGs by removing the barriers in the way of its alloy design. This article aims to develop a ML-based method for predicting the maximum critical diameter (Dmax) of BMGs as a factor of their glass-forming ability. The main result is that the random forest method can be used as a sustainable model (R 2  = 92%) for predicting glass-forming ability. Also, adding characteristic temperatures to the model will increase the accuracy and efficiency of the developed model. Comparing the measured and predicted values of Dmax for a set of newly developed BMGs indicated that the model is reliable and can be truly used for predicting the GFA of BMGs.
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spelling doaj.art-0ba4268a72824186885661ef3736b2a02022-12-22T03:00:47ZengNature PortfolioScientific Reports2045-23222022-07-0112111010.1038/s41598-022-15981-2Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glassesAlireza Ghorbani0Amirhossein Askari1Mehdi Malekan2Mahmoud Nili-Ahmadabadi3School of Metallurgy and Materials Engineering, College of Engineering, University of TehranComputer Engineering Department, Amirkabir University of TechnologySchool of Metallurgy and Materials Engineering, College of Engineering, University of TehranSchool of Metallurgy and Materials Engineering, College of Engineering, University of TehranAbstract Glass-forming ability (GFA) of bulk metallic glasses (BMGs) is a determinant parameter which has been significantly studied. GFA improvements could be achieved through trial-and-error experiments, as a tedious work, or by using developed predicting tools. Machine-Learning (ML) has been used as a promising method to predict the properties of BMGs by removing the barriers in the way of its alloy design. This article aims to develop a ML-based method for predicting the maximum critical diameter (Dmax) of BMGs as a factor of their glass-forming ability. The main result is that the random forest method can be used as a sustainable model (R 2  = 92%) for predicting glass-forming ability. Also, adding characteristic temperatures to the model will increase the accuracy and efficiency of the developed model. Comparing the measured and predicted values of Dmax for a set of newly developed BMGs indicated that the model is reliable and can be truly used for predicting the GFA of BMGs.https://doi.org/10.1038/s41598-022-15981-2
spellingShingle Alireza Ghorbani
Amirhossein Askari
Mehdi Malekan
Mahmoud Nili-Ahmadabadi
Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
Scientific Reports
title Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
title_full Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
title_fullStr Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
title_full_unstemmed Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
title_short Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
title_sort thermodynamically guided machine learning modelling for predicting the glass forming ability of bulk metallic glasses
url https://doi.org/10.1038/s41598-022-15981-2
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