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Fokin VM, Schmelzer JW, Nascimento ML, et al. Diffusion coefficients for crystal nucleation and growth in deeply undercooled glass-forming liquids. J Chem Phys. 2007;126(23):234507doi: 10.1063/1.2746502.
Fokin, V. M., Schmelzer, J. W., Nascimento, M. L., & Zanotto, E. D. (2007). Diffusion coefficients for crystal nucleation and growth in deeply undercooled glass-forming liquids. The Journal of chemical physics, 126(23), 234507. https://doi.org/10.1063/1.2746502
Fokin, Vladimir M, et al. "Diffusion coefficients for crystal nucleation and growth in deeply undercooled glass-forming liquids." The Journal of chemical physics vol. 126,23 (2007): 234507. doi: https://doi.org/10.1063/1.2746502
Fokin VM, Schmelzer JW, Nascimento ML, Zanotto ED. Diffusion coefficients for crystal nucleation and growth in deeply undercooled glass-forming liquids. J Chem Phys. 2007 Jun 21;126(23):234507. doi: 10.1063/1.2746502. PMID: 17600425.
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J Chem Phys. 2007 Jun 21;126(23):234507. doi: 10.1063/1.2746502.

Diffusion coefficients for crystal nucleation and growth in deeply undercooled glass-forming liquids.

The Journal of chemical physics

Vladimir M Fokin, Jürn W P Schmelzer, Marcio L F Nascimento, Edgar D Zanotto

Affiliations

  1. S. I. Vavilov State Optical Institute, Ulitsa Babushkina 36-1, 193171 St. Petersburg, Russia.

PMID: 17600425 DOI: 10.1063/1.2746502

Abstract

We calculate, employing the classical theory of nucleation and growth, the effective diffusion coefficients controlling crystal nucleation of nanosize clusters and the subsequent growth of micron-size crystals at very deep undercoolings, below and above Tg, using experimental nucleation and growth data obtained for stoichiometric Li2O.2SiO2 and Na2O.2CaO.3SiO2 glasses. The results show significant differences in the magnitude and temperature dependence of these kinetic coefficients. We explain this difference showing that the composition and/or structure of the nucleating critical clusters deviate from those of the stable crystalline phase. These results for diffusion coefficients corroborate our previous conclusion for the same glasses, based on different experiments, and support the view that, even for the so-called case of stoichiometric (polymorphic) crystallization, the nucleating phase may have a different composition and/or structure as compared to the parent glass and the evolving macroscopic crystalline phase. This finding gives a key to explain the discrepancies between calculated (by classical nucleation theory) and experimentally observed nucleation rates in these systems, in particular, and in deeply undercooled glass-forming liquids, in general.

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