DOI: 10.1063/1.3678214. Crystal nucleation and the solid

Crystal nucleation and the solid–liquid interfacial free energy

10.1063/1.3678214

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We present the results of molecular dynamics simulation of crystal nucleation in a supercooled Lennard–Jones liquid. Temperature and baric dependences of the nucleation rate, the Zeldovich factor, nucleus size diffusion coefficient, the radius, and the pressure in a critical crystal nucleus are defined in computer simulation. The data obtained have been used in the framework of classical nucleation theory to calculate the effective surface energy of crystal nuclei γe. It is shown that the value of γe at T = const exceeds the value of the interfacial free energy at a flat crystal–liquid interface γ∞ and γe &lt; γ∞ at p = const.

Bibliography

Baidakov, V. G., & Tipeev, A. O. (2012). Crystal nucleation and the solidâliquid interfacial free energy. The Journal of Chemical Physics, 136(7).

Authors 2

Vladimir G. Baidakov (first)
Azat O. Tipeev (additional)

References 47 Referenced 56

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Dates

Type	When
Created	13 years, 6 months ago (Feb. 16, 2012, 7:39 p.m.)
Deposited	2 years, 2 months ago (June 25, 2023, 10:50 p.m.)
Indexed	3 days, 20 hours ago (Sept. 2, 2025, 6:44 a.m.)
Issued	13 years, 6 months ago (Feb. 16, 2012)
Published	13 years, 6 months ago (Feb. 16, 2012)
Published Online	13 years, 6 months ago (Feb. 16, 2012)
Published Print	13 years, 6 months ago (Feb. 21, 2012)

Funders 0

None

BibTeX

@article{Baidakov_2012, title={Crystal nucleation and the solid–liquid interfacial free energy}, volume={136}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3678214}, DOI={10.1063/1.3678214}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Baidakov, Vladimir G. and Tipeev, Azat O.}, year={2012}, month=feb }

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