Computational high-throughput screening of fluid permeability in heterogeneous fiber materials. Issue 29 (1st July 2016)

• Record Type: Journal Article
• Authors: Röding, Magnus; Schuster, Erich; Logg, Katarina; Lundman, Malin; Bergström, Per; Hanson, Charlotta; Gebäck, Tobias; Lorén, Niklas
• Is Part Of: Soft matter. Volume 12:Issue 29(2016)
• Page Start: 6293
• Page End: 6299
• Publication Date: 2016-07-01
• Subjects: Soft condensed matter -- Periodicals; 530.413
• DOI: 10.1039/c6sm01213b
• Languages: English
• ISSNs: 1744-683X

Abstract

Abstract : We report on computational high-throughput screening of permeability in 35 000 heterogeneous, isotropic fiber materials using a multi-scale lattice Boltzmann framework to assess which parameters determine macroscopic permeability. Abstract : We explore computational high-throughput screening as a design strategy for heterogeneous, isotropic fiber materials. Fluid permeability, a key property in the design of soft porous materials, is systematically studied using a multi-scale lattice Boltzmann framework. After characterizing microscopic permeability as a function of solid volume fraction in the microstructure, we perform high-throughput computational screening of in excess of 35 000 macrostructures consisting of a continuous bulk interrupted by spherical/elliptical domains with either lower or higher microscopic permeability (hence with two distinct microscopic solid volume fractions and therefore two distinct microscopic permeabilities) to assess which parameters determine macroscopic permeability for a fixed average solid volume fraction. We conclude that the fractions of bulk and domains and the distribution of solid volume fraction between them are the primary determinants of macroscopic permeability, and that a substantial increase in permeability compared to the corresponding homogenous material is attainable.