Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids

Research output: Contribution to journalArticleScientificpeer-review


  • Petri Hirvonen
  • Gabriel Martine La Boissonière
  • Zheyong Fan
  • Cristian Achim
  • Nikolas Provatas
  • Ken R. Elder
  • Tapio Ala-Nissilä

Research units

  • McGill University
  • University of Concepción
  • Loughborough University
  • Oakland University


While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper, we present a highly generalizable and reliable variational method to achieve this goal for two-dimensional crystalline and quasicrystalline materials. The method is benchmarked and optimized successfully using a variety of large-scale systems of defected solids, including periodic structures and quasicrystalline symmetries to quantify their microstructural characteristics, e.g., grain size and lattice misorientation distributions. We find that many microstructural properties show universal features independent of the underlying symmetries.


Original languageEnglish
Article number103603
Pages (from-to)1-14
Number of pages14
JournalPhysical Review Materials
Issue number10
Publication statusPublished - 16 Oct 2018
MoE publication typeA1 Journal article-refereed

    Research areas

  • phase field crystal, microstructure, quasicrystals, polycrystals, grains, grain boundaries, grain extraction, two-dimensional materials, multiscale modeling, molecular dynamics

Download statistics

No data available

ID: 28771481