Three-Dimensional Reconstruction of Statistically Optimal Unit Cells
of Multimodal Particulate Composites
B.C. Collins
Computational Science and Engineering
University of Illinois at Urbana-Champaign
Urbana, IL 61801 USA
K. Matouš
Aerospace and Mechanical Engineering Department
University of Notre Dame
Notre Dame, IN 46556, USA
D. Rypl
Department of Mechanics
Faculty of Civil Engineering
Czech Technical University in Prague
Thákurova 7, 166 29 Prague, Czech Republic
Abstract:
In the current digital age, it is befitting that complex heterogeneous
materials, such as solid propellants, are characterized by digital
computational and/or experimental techniques. Of those, microcomputer
tomography (micro-CT) and advanced packing algorithms are the most
popular for identifying the statistics of multimodal, random,
particulate composites. In this work, we develop a procedure for the
characterization and reconstruction of periodic unit cells of highly
filled, multimodal, particulate composites from a packing
algorithm. Rocpack, a particle packing software, is used to generate
the solid propellant microstructures, and one-, two-, and three-point
probability functions are used to describe their statistical
morphology. However, both the experimentally scanned or
computationally designed packs are usually nonoptimal in size and
likely too big to be fully numerically resolved when complex nonlinear
processes, such as combustion, decohesion, matrix tearing, etc., are
modeled. Thus, domain reduction techniques, which can reconstruct the
optimal periodic unit cell, are important to narrow the problem size
while preserving the statistics. The three-dimensional reconstruction
is carried out using a parallel augmented simulated annealing
algorithm. Then, the resulting cell geometries are discretized, taking
into consideration the periodic layout using our master/slave approach
implemented into a sophisticated meshing generator T3D. Final
discretized geometries show only a small loss of volume
fraction. Particulate systems composed of 40 and 70% volume fractions
are investigated, and the unit cells are reconstructed such that the
statistical correspondence to the original packs is maintained.