{"title":"Interpretable MA-island clusters and fingerprints relating bainite microstructures to composition and processing temperature","authors":"Vinod Kumar , Sharukh Hussain , Priyanka S. , P.G. Kubendran Amos","doi":"10.1016/j.commatsci.2024.113492","DOIUrl":null,"url":null,"abstract":"<div><div>Realising the affect of composition and processing condition on bainite microstructures is often challenging, owing to the intricate distribution of the constituent phases. In this work, scanning electron micrographs of non-isothermally transformed bainite, with martensite-austenite (MA) islands, are analysed to relate the microstructures to the composition and quench-stop temperature. The inadequacy of the MA-islands’ geometric features, namely aspect ratio, polygon area and compactness, in establishing this relation is made evident from Kullback–Leibler (KL) divergence at the outset. Clustering the bainite microstructures, following a combination of feature extraction and dimensionality reduction, further fails to realise the affect of composition and processing temperature. Integrated machine-learning analysis of the individual MA islands, in contrast to the bainite microstructures, yields interpretable clusters with characteristically distinct size and morphology. These five clusters, referred to as fine- and coarse-dendrite, fine- and coarse-polygon and elongated, are exceptionally discernible and can be adopted to describe any MA island. Characterising the bainite microstructures, based on the distribution of the interpretable MA-island clusters, generates <em>fingerprints</em> that sufficiently relates the composition and processing conditions with the microstructures.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"247 ","pages":"Article 113492"},"PeriodicalIF":3.1000,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025624007134","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Realising the affect of composition and processing condition on bainite microstructures is often challenging, owing to the intricate distribution of the constituent phases. In this work, scanning electron micrographs of non-isothermally transformed bainite, with martensite-austenite (MA) islands, are analysed to relate the microstructures to the composition and quench-stop temperature. The inadequacy of the MA-islands’ geometric features, namely aspect ratio, polygon area and compactness, in establishing this relation is made evident from Kullback–Leibler (KL) divergence at the outset. Clustering the bainite microstructures, following a combination of feature extraction and dimensionality reduction, further fails to realise the affect of composition and processing temperature. Integrated machine-learning analysis of the individual MA islands, in contrast to the bainite microstructures, yields interpretable clusters with characteristically distinct size and morphology. These five clusters, referred to as fine- and coarse-dendrite, fine- and coarse-polygon and elongated, are exceptionally discernible and can be adopted to describe any MA island. Characterising the bainite microstructures, based on the distribution of the interpretable MA-island clusters, generates fingerprints that sufficiently relates the composition and processing conditions with the microstructures.
由于成分相的分布错综复杂,要了解成分和加工条件对贝氏体微观结构的影响往往具有挑战性。在这项工作中,我们分析了带有马氏体-奥氏体(MA)岛的非等温转变贝氏体的扫描电子显微镜照片,以便将微观结构与成分和淬火温度联系起来。MA 岛的几何特征(即长宽比、多边形面积和致密性)不足以建立这种关系,这一点从一开始的库尔贝克-莱伯勒(KL)发散性中就可以看出。通过特征提取和降维相结合的方法对贝氏体微结构进行聚类,也无法实现成分和加工温度的影响。与贝氏体微观结构不同的是,对单个 MA 岛进行综合机器学习分析后,会产生具有独特尺寸和形态特征的可解释聚类。这五个簇被称为细小和粗大枝晶、细小和粗大多边形以及细长形,它们具有极高的辨识度,可用于描述任何 MA 岛。根据可解释的 MA 岛群的分布来描述贝氏体微观结构的特征,可生成指纹,将成分和加工条件与微观结构充分联系起来。
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.