Modeling of grain growth under fully anisotropic grain boundary energy
Hallberg, Håkan LU
and Bulatov, Vasily V.
(2019)
In Modelling and Simulation in Materials Science and Engineering
27(4).
- Abstract
- A level set formulation is proposed that can accurately trace the evolution of grain boundary networks in a polycrystalline aggregate while respecting grain boundary energy anisotropy. Commonly adopted simplifying assumptions related to the grain boundary energy variation with local microstructure conditions are avoided and the grain boundary energy dependence on both crystallographic misorientation and boundary plane inclination is respected. Key components in the formulation are discussed, such as an efficient and simple scheme for unequivocal identification of crystal neighbors at grain boundary junctions where an arbitrary number of crystals intersect. The method works without modifications in both two and three dimensions and is shown... (More)
- A level set formulation is proposed that can accurately trace the evolution of grain boundary networks in a polycrystalline aggregate while respecting grain boundary energy anisotropy. Commonly adopted simplifying assumptions related to the grain boundary energy variation with local microstructure conditions are avoided and the grain boundary energy dependence on both crystallographic misorientation and boundary plane inclination is respected. Key components in the formulation are discussed, such as an efficient and simple scheme for unequivocal identification of crystal neighbors at grain boundary junctions where an arbitrary number of crystals intersect. The method works without modifications in both two and three dimensions and is shown to provide grain boundary junction configurations that comply with classical equilibrium conditions as well as topological transforms of the grain boundary network that agree with theoretical predictions. Full grain boundary energy anisotropy is considered by adopting a parametrization of the five-parameter grain boundary energy space, as previously proposed by Bulatov et al 2014 Acta Mater. 65:161–75. Examples are provided to illustrate the relevance of the level set framework for simulations of microstructure evolution in polycrystalline solids. For example, it is clearly shown that the proposed modeling framework provides a grain boundary inclination dependence of the grain boundary energy that cannot be neglected in mesoscale simulations of grain growth. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/45ff5399-61ca-46bc-82d8-93a92b5881db
- author
- Hallberg, Håkan
LU
and Bulatov, Vasily V.
- organization
- publishing date
- 2019-04-02
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Grain growth, Level sets, Grain boundary energy, Simulation, Simulation in 3D, Polycrystal modelling
- in
- Modelling and Simulation in Materials Science and Engineering
- volume
- 27
- issue
- 4
- article number
- 045002
- pages
- 27 pages
- publisher
- IOP Publishing
- external identifiers
-
- scopus:85067210261
- ISSN
- 0965-0393
- DOI
- 10.1088/1361-651X/ab0c6c
- language
- Swedish
- LU publication?
- yes
- id
- 45ff5399-61ca-46bc-82d8-93a92b5881db
- date added to LUP
- 2019-04-02 17:49:53
- date last changed
- 2022-04-25 22:08:55
@article{45ff5399-61ca-46bc-82d8-93a92b5881db,
abstract = {{A level set formulation is proposed that can accurately trace the evolution of grain boundary networks in a polycrystalline aggregate while respecting grain boundary energy anisotropy. Commonly adopted simplifying assumptions related to the grain boundary energy variation with local microstructure conditions are avoided and the grain boundary energy dependence on both crystallographic misorientation and boundary plane inclination is respected. Key components in the formulation are discussed, such as an efficient and simple scheme for unequivocal identification of crystal neighbors at grain boundary junctions where an arbitrary number of crystals intersect. The method works without modifications in both two and three dimensions and is shown to provide grain boundary junction configurations that comply with classical equilibrium conditions as well as topological transforms of the grain boundary network that agree with theoretical predictions. Full grain boundary energy anisotropy is considered by adopting a parametrization of the five-parameter grain boundary energy space, as previously proposed by Bulatov et al 2014 Acta Mater. 65:161–75. Examples are provided to illustrate the relevance of the level set framework for simulations of microstructure evolution in polycrystalline solids. For example, it is clearly shown that the proposed modeling framework provides a grain boundary inclination dependence of the grain boundary energy that cannot be neglected in mesoscale simulations of grain growth.}},
author = {{Hallberg, Håkan and Bulatov, Vasily V.}},
issn = {{0965-0393}},
keywords = {{Grain growth; Level sets; Grain boundary energy; Simulation; Simulation in 3D; Polycrystal modelling}},
language = {{swe}},
month = {{04}},
number = {{4}},
publisher = {{IOP Publishing}},
series = {{Modelling and Simulation in Materials Science and Engineering}},
title = {{Modeling of grain growth under fully anisotropic grain boundary energy}},
url = {{http://dx.doi.org/10.1088/1361-651X/ab0c6c}},
doi = {{10.1088/1361-651X/ab0c6c}},
volume = {{27}},
year = {{2019}},
}