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

Loading...
Thumbnail Image
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2018-10-16
Major/Subject
Mcode
Degree programme
Language
en
Pages
14
1-14
Series
Physical Review Materials, Volume 2, issue 10
Abstract
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.
Description
Keywords
phase field crystal, microstructure, quasicrystals, polycrystals, grains, grain boundaries, grain extraction, two-dimensional materials, multiscale modeling, molecular dynamics
Other note
Citation
Hirvonen , P , La Boissonière , G M , Fan , Z , Achim , C , Provatas , N , Elder , K R & Ala-Nissilä , T 2018 , ' Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids ' , Physical Review Materials , vol. 2 , no. 10 , 103603 , pp. 1-14 . https://doi.org/10.1103/PhysRevMaterials.2.103603