Designing anisotropic microstructures with spectral density function

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.