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Grain boundary stiffness based on phase field crystal simulations

Blixt, Kevin Hult LU and Hallberg, Håkan LU orcid (2022) In Materials Letters 318.
Abstract

Phase field crystal modeling with wavelet filtering is shown to be an attractive replacement for molecular dynamics simulations when evaluating grain boundary stiffness by the capillary fluctuation method. Obstacles such as iterative equilibration of grain boundary structures and repeated reconstruction of the grain boundary over extended simulations can be avoided.

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author
and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Grain boundaries, Grain boundary energy, Grain boundary stiffness, Modeling, Simulation
in
Materials Letters
volume
318
article number
132178
publisher
Elsevier
external identifiers
  • scopus:85127296592
ISSN
0167-577X
DOI
10.1016/j.matlet.2022.132178
project
Phase Field Crystal Modeling of Microstructure Mechanics
language
English
LU publication?
yes
id
35ba607e-457b-47b9-974b-bf6128fb8382
date added to LUP
2022-05-03 15:44:01
date last changed
2022-05-03 17:54:14
@article{35ba607e-457b-47b9-974b-bf6128fb8382,
  abstract     = {{<p>Phase field crystal modeling with wavelet filtering is shown to be an attractive replacement for molecular dynamics simulations when evaluating grain boundary stiffness by the capillary fluctuation method. Obstacles such as iterative equilibration of grain boundary structures and repeated reconstruction of the grain boundary over extended simulations can be avoided.</p>}},
  author       = {{Blixt, Kevin Hult and Hallberg, Håkan}},
  issn         = {{0167-577X}},
  keywords     = {{Grain boundaries; Grain boundary energy; Grain boundary stiffness; Modeling; Simulation}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Materials Letters}},
  title        = {{Grain boundary stiffness based on phase field crystal simulations}},
  url          = {{http://dx.doi.org/10.1016/j.matlet.2022.132178}},
  doi          = {{10.1016/j.matlet.2022.132178}},
  volume       = {{318}},
  year         = {{2022}},
}