Eighth-order phase-field-crystal model for two-dimensional crystallization

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2010
Major/Subject
Mcode
Degree programme
Language
en
Pages
061602/1-11
Series
Physical Review E, Volume 82, Issue 6
Abstract
We present a derivation of the recently proposed eighth-order phase-field crystal model [A. Jaatinen et al., Phys. Rev. E 80, 031602 (2009)] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two-dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase-field crystal models. We find that among the phase-field crystal models studied, the eighth-order fitting scheme gives results in good agreement with the density functional theory for both static and dynamic properties, suggesting it is an accurate and computationally efficient approximation to the density functional theory.
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Keywords
phase-field crystals, multiscale modeling, crystallization
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Citation
Jaatinen, A. & Ala-Nissilä, Tapio. 2010. Eighth-order phase-field-crystal model for two-dimensional crystallization. Physical Review E. Volume 82, Issue 6. P. 061602/1-11. ISSN 1539-3755 (printed). DOI: 10.1103/physreve.82.061602.