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Phase-field modeling of crystal nucleation in undercooled liquids – A review

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posted on 20.06.2019 by Laszlo Granasy, Gyula Toth, James A. Warren, Frigyes Podmaniczky, Gyorgy Tegze, Laszlo Ratkai, Tamas Pusztai
We 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 Science

Volume

106

Issue

December 2019

Citation

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 BV

Version

AM (Accepted Manuscript)

Rights holder

© The authors

Publisher 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

18/05/2019

Publication date

2019-05-30

Copyright date

2019

ISSN

0079-6425

Language

en

Article number

100569

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