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Phase-field modeling of crystal nucleation in undercooled liquids – A review
journal contribution
posted on 2019-06-20, 12:47 authored by Laszlo Granasy, Gyula TothGyula Toth, James A. Warren, Frigyes Podmaniczky, Gyorgy Tegze, Laszlo Ratkai, Tamas PusztaiWe review how phase-field models contributed to the understanding of various aspects of crystal
nucleation including homogeneous and heterogeneous processes, and their role in microstructure
evolution. We recall results obtained both by the conventional phase-field approaches that rely
on spatially averaged (coarse grained) order parameters in capturing freezing, and by the recently
developed phase-field crystal models that work on the molecular scale, while employing time averaged
particle densities, and are regarded as simple dynamical density functional theories of classical
particles. Besides simpler cases of homogeneous and heterogeneous nucleation, phenomena addressed
by these techniques include precursor assisted nucleation, nucleation in eutectic and phase separating
systems, phase selection via competing nucleation processes, growth front nucleation (a process,
in which grains of new orientations form at the solidification front) yielding crystal sheaves and
spherulites, and transition between the growth controlled cellular and the nucleation dominated
equiaxial solidification morphologies.
Funding
This work was supported by the National Agency for Research, Development, and Innovation, Hungary (NKFIH) under Contract Nos. K-115959, KKP-126749, and NN-125832.
History
School
- Science
Department
- Mathematical Sciences
Published in
Progress in Materials ScienceVolume
106Issue
December 2019Citation
GRANASY, L. ... et al., 2019. Phase-field modeling of crystal nucleation in undercooled liquids – A review. Progress in Materials Science, 106 (December 2019), 100569.Publisher
Elsevier BVVersion
- AM (Accepted Manuscript)
Rights holder
© The authorsPublisher statement
This is an Open Access Article. It is published by Elsevier under the Creative Commons Attribution 4.0 Unported Licence (CC BY). Full details of this licence are available at: http://creativecommons.org/licenses/by/4.0/Acceptance date
2019-05-18Publication date
2019-05-30Copyright date
2019ISSN
0079-6425Publisher version
Language
- en