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Open AccessArticle

Nucleation and Post-Nucleation Growth in Diffusion-Controlled and Hydrodynamic Theory of Solidification

1
Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary
2
BCAST, Brunel University, Uxbridge, Middlesex UB8 3PH, UK
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Authors to whom correspondence should be addressed.
Academic Editors: Wolfram Miller and Koichi Kakimoto
Crystals 2021, 11(4), 437; https://doi.org/10.3390/cryst11040437
Received: 13 March 2021 / Revised: 12 April 2021 / Accepted: 13 April 2021 / Published: 17 April 2021
(This article belongs to the Special Issue Modeling of Crystal Growth)
Two-step nucleation and subsequent growth processes were investigated in the framework of the single mode phase-field crystal model combined with diffusive dynamics (corresponding to colloid suspensions) and hydrodynamical density relaxation (simple liquids). It is found that independently of dynamics, nucleation starts with the formation of solid precursor clusters that consist of domains with noncrystalline ordering (ringlike projections are seen from certain angles), and regions that have amorphous structure. Using the average bond order parameter q¯6, we distinguished amorphous, medium range crystallike order (MRCO), and crystalline local orders. We show that crystallization to the stable body-centered cubic phase is preceded by the formation of a mixture of amorphous and MRCO structures. We have determined the time dependence of the phase composition of the forming solid state. We also investigated the time/size dependence of the growth rate for solidification. The bond order analysis indicates similar structural transitions during solidification in the case of diffusive and hydrodynamic density relaxation. View Full-Text
Keywords: classical density functional theory; molecular modelling; two-step nucleation; growth kinetics; hydrodynamic theory of freezing classical density functional theory; molecular modelling; two-step nucleation; growth kinetics; hydrodynamic theory of freezing
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MDPI and ACS Style

Podmaniczky, F.; Gránásy, L. Nucleation and Post-Nucleation Growth in Diffusion-Controlled and Hydrodynamic Theory of Solidification. Crystals 2021, 11, 437. https://doi.org/10.3390/cryst11040437

AMA Style

Podmaniczky F, Gránásy L. Nucleation and Post-Nucleation Growth in Diffusion-Controlled and Hydrodynamic Theory of Solidification. Crystals. 2021; 11(4):437. https://doi.org/10.3390/cryst11040437

Chicago/Turabian Style

Podmaniczky, Frigyes; Gránásy, László. 2021. "Nucleation and Post-Nucleation Growth in Diffusion-Controlled and Hydrodynamic Theory of Solidification" Crystals 11, no. 4: 437. https://doi.org/10.3390/cryst11040437

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