Designing anisotropic microstructures with spectral density function

Akshay Iyer, Rabindra Dulal, Yichi Zhang, Umar Farooq Ghumman, Te Yu Chien, Ganesh Balasubramanian, Wei Chen*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Materials’ microstructure is a critical aspect in design of functional materials as it links processing conditions to material performance. Previous efforts on microstructure mediated design mostly assume isotropy, which is not ideal for applications where material properties along specific directions must be tailored to meet performance requirements, such as those associated with transport phenomena. In this article, we propose an anisotropic microstructure design strategy that leverages Spectral Density Function (SDF) for rapid reconstruction of high resolution, two phase, isotropic or anisotropic microstructures in 2D and 3D. We demonstrate that SDF microstructure representation provides an intuitive method for quantifying anisotropy through a dimensionless scalar variable termed anisotropy index. The computational efficiency and low dimensional microstructure representation enabled by our method is demonstrated through an active layer design case study for Bulk Heterojunction Organic Photovoltaic Cells (OPVCs). Results indicate that optimized design, exhibiting strong anisotropy, outperforms isotropic active layer designs.

Original languageEnglish (US)
Article number109559
JournalComputational Materials Science
Volume179
DOIs
StatePublished - Jun 15 2020

Keywords

  • Anisotropic microstructure
  • Materials design
  • Microstructure reconstruction
  • Organic photovoltaic cells
  • Spectral density function

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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