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

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Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids. / Hirvonen, Petri; La Boissonière, Gabriel Martine; Fan, Zheyong; Achim, Cristian; Provatas, Nikolas; Elder, Ken R.; Ala-Nissilä, Tapio.

In: Physical Review Materials, Vol. 2, No. 10, 103603, 16.10.2018, p. 1-14.

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Hirvonen, Petri ; La Boissonière, Gabriel Martine ; Fan, Zheyong ; Achim, Cristian ; Provatas, Nikolas ; Elder, Ken R. ; Ala-Nissilä, Tapio. / Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids. In: Physical Review Materials. 2018 ; Vol. 2, No. 10. pp. 1-14.

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@article{62e67bea49af4f3abe7c9d660b3d4d4f,
title = "Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids",
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.",
keywords = "phase field crystal, microstructure, quasicrystals, polycrystals, grains, grain boundaries, grain extraction, two-dimensional materials, multiscale modeling, molecular dynamics",
author = "Petri Hirvonen and {La Boissoni{\`e}re}, {Gabriel Martine} and Zheyong Fan and Cristian Achim and Nikolas Provatas and Elder, {Ken R.} and Tapio Ala-Nissil{\"a}",
year = "2018",
month = "10",
day = "16",
doi = "10.1103/PhysRevMaterials.2.103603",
language = "English",
volume = "2",
pages = "1--14",
journal = "Physical Review Materials",
issn = "2475-9953",
publisher = "American Physical Society",
number = "10",

}

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TY - JOUR

T1 - Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids

AU - Hirvonen, Petri

AU - La Boissonière, Gabriel Martine

AU - Fan, Zheyong

AU - Achim, Cristian

AU - Provatas, Nikolas

AU - Elder, Ken R.

AU - Ala-Nissilä, Tapio

PY - 2018/10/16

Y1 - 2018/10/16

N2 - 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.

AB - 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.

KW - phase field crystal

KW - microstructure

KW - quasicrystals

KW - polycrystals

KW - grains

KW - grain boundaries

KW - grain extraction

KW - two-dimensional materials

KW - multiscale modeling

KW - molecular dynamics

UR - https://arxiv.org/abs/1806.00700

U2 - 10.1103/PhysRevMaterials.2.103603

DO - 10.1103/PhysRevMaterials.2.103603

M3 - Article

VL - 2

SP - 1

EP - 14

JO - Physical Review Materials

JF - Physical Review Materials

SN - 2475-9953

IS - 10

M1 - 103603

ER -

ID: 28771481