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

Hirvonen, Petri; La Boissoniere, Gabriel M.; Fan, Zheyong; Achim, C.V.; Provatas, Nikolas; Elder, Ken R.; Ala-Nissila, Tapio

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

journal contribution

posted on 2018-11-27, 11:16 authored by Petri Hirvonen, Gabriel M. La Boissoniere, Zheyong Fan, C.V. Achim, Nikolas Provatas, Ken R. Elder, Tapio Ala-NissilaTapio Ala-Nissila

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.

Funding

This research has been supported in part by the Academy of Finland through its QTF Center of Excellence Program grant No. 312298. We acknowledge the computational resources provided by the Aalto ScienceIT project and the CSC IT Center for Science, Finland. PH acknowledges financial support from the Foundation for Aalto University Science and Technology, and from the Vilho, Yrj and Kalle Visl Foundation of the Finnish Academy of Science and Letters. GMLaB was supported by an FRQNT (Fonds de recherche du Quebec - Nature et technologies) Doctoral Student Scholarship. CVA acknowledges financial support from CRHIAM-FONDAP-CONICYT Project No. 15130015. NP acknowledges financial support from theCanada Research Chairs (CRC) Program. K.R.E. acknowledges financial support from the National Science Foundation under Grant No. DMR-1506634 and from the Aalto Science Institute (ASCI).

History

School

Science

Department

Mathematical Sciences

Published in

PHYSICAL REVIEW MATERIALS

Volume

2

Issue

10

Citation

HIRVONEN, P. ... et al, 2018. Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids. Physical Review Materials, 2 (10), 103603.

Publisher

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Acceptance date

2018-10-01

Publication date

2018-10-16

Notes

This paper was published in the journal Physical Review Materials and the definitive published version is available at https://doi.org/10.1103/PhysRevMaterials.2.103603.