Reconstruction of periodic unit cells of multimodal random particulate composites using genetic algorithms

Natarajan Chennimalai Kumar, Karel Matouš, Philippe H. Geubelle

Research output: Contribution to journalArticlepeer-review


We develop a procedure for characterization and reconstruction of periodic unit cells of highly filled, multimodal, particulate composites. Rocpack, a particle packing software, is used to generate the solid propellant microstructures and one- and two-point probability functions are used to describe its statistical morphology. The reconstruction is carried out using a parallel Augmented Simulated Annealing algorithm with a novel mutation operator based on a mass-spring system to eliminate overlap and improve the code performance. Results from the reconstruction procedure, for four-phase random particulate composites of 40-70% packing fraction, are detailed to demonstrate the capabilities of the reconstruction model. The presented results suggest good convergence and repeatability of the optimization scheme, even for high volume fractions, and good scalability of the algorithm.

Original languageEnglish (US)
Pages (from-to)352-367
Number of pages16
JournalComputational Materials Science
Issue number2
StatePublished - Apr 2008


  • Microstructure reconstruction
  • Parallel genetic algorithm
  • Particle packing
  • Probability functions
  • Solid propellant

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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