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Persistent‐Homology‐Based Microstructural Optimization of Materials Using t‐Distributed Stochastic Neighbor Embedding

Persistent‐Homology‐Based Microstructural Optimization of Materials Using t‐Distributed... Microstructure optimization is a core issue to maximize the performance of materials. Due to the increasing demand for highly efficient materials, traditional trial‐and‐error‐based experimental methods have become insufficient for designing novel materials with useful properties. Based on the fact that materials with similar microstructural features exhibit similar properties, this work proposes a persistent‐homology‐based microstructure optimization approach performed with a machine learning algorithm of t‐distributed stochastic neighbor embedding to find optimal microstructures for specific properties. The method is applied to dual‐phase steels, where a microstructure with high‐fraction martensite is identified for achieving a maximum stress. The method proposed here is expected to provide new basis to understand the materials paradigm and thus accelerate the materials discovery process. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Advanced Theory and Simulations Wiley

Persistent‐Homology‐Based Microstructural Optimization of Materials Using t‐Distributed Stochastic Neighbor Embedding

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Publisher
Wiley
Copyright
© 2020 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
eISSN
2513-0390
DOI
10.1002/adts.202000040
Publisher site
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Abstract

Microstructure optimization is a core issue to maximize the performance of materials. Due to the increasing demand for highly efficient materials, traditional trial‐and‐error‐based experimental methods have become insufficient for designing novel materials with useful properties. Based on the fact that materials with similar microstructural features exhibit similar properties, this work proposes a persistent‐homology‐based microstructure optimization approach performed with a machine learning algorithm of t‐distributed stochastic neighbor embedding to find optimal microstructures for specific properties. The method is applied to dual‐phase steels, where a microstructure with high‐fraction martensite is identified for achieving a maximum stress. The method proposed here is expected to provide new basis to understand the materials paradigm and thus accelerate the materials discovery process.

Journal

Advanced Theory and Simulations – Wiley

Published: Jul 1, 2020

Keywords: ; ; ; ;

References