Microstructure Representation and Reconstruction of Heterogeneous Materials Via Deep Belief Network for Computational Material Design

Ruijin Cang, Yaopengxiao Xu, Shaohua Chen, Yongming Liu, Yang Jiao, Max Yi Ren

Research output: Contribution to journalArticle

42 Scopus citations

Abstract

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature space be identified to allow reconstruction of new designs, and (2) the reconstruction process be propertypreserving. The majority of existing structural presentation schemes relies on the designer's understanding of specific material systems to identify geometric and statistical features, which could be biased and insufficient for reconstructing physically meaningful microstructures of complex material systems. In this paper, we develop a feature learning mechanism based on convolutional deep belief network (CDBN) to automate a two-way conversion between microstructures and their lower-dimensional feature representations, and to achieve a 1000-fold dimension reduction from the microstructure space. The proposed model is applied to a wide spectrum of heterogeneous material systems with distinct microstructural features including Ti-6Al-4V alloy, Pb63-Sn37 alloy, Fontainebleau sandstone, and spherical colloids, to produce material reconstructions that are close to the original samples with respect to two-point correlation functions and mean critical fracture strength. This capability is not achieved by existing synthesis methods that rely on the Markovian assumption of material microstructures.

Original languageEnglish (US)
Article number071404
JournalJournal of Mechanical Design, Transactions Of the ASME
Volume139
Issue number7
DOIs
StatePublished - Jul 1 2017

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Computer Science Applications
  • Computer Graphics and Computer-Aided Design

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