Non-empirical identification of trigger sites in heterogeneous processes using persistent homology

Abstract Macroscopic phenomena, such as fracture, corrosion, and degradation of materials, are associated with various reactions which progress heterogeneously. Thus, material properties are generally determined not by their averaged characteristics but by specific features in heterogeneity (or ‘tri...

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Autores principales:	Masao Kimura, Ippei Obayashi, Yasuo Takeichi, Reiko Murao, Yasuaki Hiraoka
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/55b3a55a1573447ead19ca6ee089ee9e
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spelling	oai:doaj.org-article:55b3a55a1573447ead19ca6ee089ee9e2021-12-02T15:08:23ZNon-empirical identification of trigger sites in heterogeneous processes using persistent homology10.1038/s41598-018-21867-z2045-2322https://doaj.org/article/55b3a55a1573447ead19ca6ee089ee9e2018-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-21867-zhttps://doaj.org/toc/2045-2322Abstract Macroscopic phenomena, such as fracture, corrosion, and degradation of materials, are associated with various reactions which progress heterogeneously. Thus, material properties are generally determined not by their averaged characteristics but by specific features in heterogeneity (or ‘trigger sites’) of phases, chemical states, etc., where the key reactions that dictate macroscopic properties initiate and propagate. Therefore, the identification of trigger sites is crucial for controlling macroscopic properties. However, this is a challenging task. Previous studies have attempted to identify trigger sites based on the knowledge of materials science derived from experimental data (‘empirical approach’). However, this approach becomes impractical when little is known about the reaction or when large multi-dimensional datasets, such as those with multiscale heterogeneities in time and/or space, are considered. Here, we introduce a new persistent homology approach for identifying trigger sites and apply it to the heterogeneous reduction of iron ore sinters. Four types of trigger sites, ‘hourglass’-shaped calcium ferrites and ‘island’- shaped iron oxides, were determined to initiate crack formation using only mapping data depicting the heterogeneities of phases and cracks without prior mechanistic information. The identification of these trigger sites can provide a design rule for reducing mechanical degradation during reduction.Masao KimuraIppei ObayashiYasuo TakeichiReiko MuraoYasuaki HiraokaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Masao Kimura Ippei Obayashi Yasuo Takeichi Reiko Murao Yasuaki Hiraoka Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
description	Abstract Macroscopic phenomena, such as fracture, corrosion, and degradation of materials, are associated with various reactions which progress heterogeneously. Thus, material properties are generally determined not by their averaged characteristics but by specific features in heterogeneity (or ‘trigger sites’) of phases, chemical states, etc., where the key reactions that dictate macroscopic properties initiate and propagate. Therefore, the identification of trigger sites is crucial for controlling macroscopic properties. However, this is a challenging task. Previous studies have attempted to identify trigger sites based on the knowledge of materials science derived from experimental data (‘empirical approach’). However, this approach becomes impractical when little is known about the reaction or when large multi-dimensional datasets, such as those with multiscale heterogeneities in time and/or space, are considered. Here, we introduce a new persistent homology approach for identifying trigger sites and apply it to the heterogeneous reduction of iron ore sinters. Four types of trigger sites, ‘hourglass’-shaped calcium ferrites and ‘island’- shaped iron oxides, were determined to initiate crack formation using only mapping data depicting the heterogeneities of phases and cracks without prior mechanistic information. The identification of these trigger sites can provide a design rule for reducing mechanical degradation during reduction.
format	article
author	Masao Kimura Ippei Obayashi Yasuo Takeichi Reiko Murao Yasuaki Hiraoka
author_facet	Masao Kimura Ippei Obayashi Yasuo Takeichi Reiko Murao Yasuaki Hiraoka
author_sort	Masao Kimura
title	Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
title_short	Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
title_full	Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
title_fullStr	Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
title_full_unstemmed	Non-empirical identification of trigger sites in heterogeneous processes using persistent homology
title_sort	non-empirical identification of trigger sites in heterogeneous processes using persistent homology
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/55b3a55a1573447ead19ca6ee089ee9e
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Non-empirical identification of trigger sites in heterogeneous processes using persistent homology

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