Fast descriptor-based 2D and 3D microstructure reconstruction using the Portilla–Simoncelli algorithm

Abstract

Reconstructing microstructures from statistical descriptors is a key enabler of computer-based inverse materials design. In the Yeong–Torquato algorithm and other common methods, the problem is approached by formulating it as an optimization problem in the space of possible microstructures. In this case, the error between the desired microstructure and the current reconstruction is measured in terms of a descriptor. As an alternative, descriptors can be regarded as constraints defining subspaces or regions in the microstructure space. Given a set of descriptors, a valid microstructure can be obtained by sequentially projecting onto these subspaces. This is done in the Portilla–Simoncelli algorithm, which is well known in the field of texture synthesis. Noting the algorithm’s potential, the present work aims at introducing it to microstructure reconstruction. After exploring its capabilities and limitations in 2D, a dimensionality expansion is developed for reconstructing 3D volumes from 2D reference data. The resulting method is extremely efficient, as it allows for high-resolution reconstructions on conventional laptops. Various numerical experiments are conducted to demonstrate its versatility and scalability. Finally, the method is validated by comparing homogenized mechanical properties of original and reconstructed 3D microstructures.