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Modeling of grain growth under fully anisotropic grain boundary energy

Hallberg, Håkan LU orcid 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)
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author
and
organization
publishing date
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}},
}