entropy Article Effects of Glass Transition and Structural Relaxation on Crystal Nucleation: Theoretical Description and Model Analysis Jürn W. P. Schmelzer 1,* , Timur V. Tropin 2 , Vladimir M. Fokin 3 , Alexander S. Abyzov 4 and Edgar D. Zanotto 3 1 Institut für Physik der Universität Rostock, Albert-Einstein-Strasse 23-25, 18059 Rostock, Germany 2 Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, ul. Joliot-Curie 6, 141980 Dubna, Russia;
[email protected] 3 Vitreous Materials Laboratory, Department of Materials Engineering, Federal University of São Carlos, UFSCar, São Carlos 13565-905, SP, Brazil;
[email protected] (V.M.F.);
[email protected] (E.D.Z.) 4 National Science Center, Kharkov Institute of Physics and Technology, 61108 Kharkov, Ukraine;
[email protected] * Correspondence:
[email protected] Received: 27 August 2020; Accepted: 27 September 2020; Published: 29 September 2020 Abstract: In the application of classical nucleation theory (CNT) and all other theoretical models of crystallization of liquids and glasses it is always assumed that nucleation proceeds only after the supercooled liquid or the glass have completed structural relaxation processes towards the metastable equilibrium state. Only employing such an assumption, the thermodynamic driving force of crystallization and the surface tension can be determined in the way it is commonly performed. The present paper is devoted to the theoretical treatment of a different situation, when nucleation proceeds concomitantly with structural relaxation. To treat the nucleation kinetics theoretically for such cases, we need adequate expressions for the thermodynamic driving force and the surface tension accounting for the contributions caused by the deviation of the supercooled liquid from metastable equilibrium.