The effect of heterogeneous structure of glass-forming liquids on crystal nucleation

Abyzov, Alexander S.; Fokin, Vladimir M.; Yuritsyn, N. S.; Rodrigues, Alisson Mendes; Schmelzer, Jürn W. P.

doi:10.1016/j.jnoncrysol.2017.02.004

Cited by 43 publications

(67 citation statements)

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“…As already mentioned, experimental data on the steady state nucleation rate for different glass‐forming systems were described in in terms of CNT utilizing the Tolman equation, Equation , for the description of the curvature dependence of the surface tension. In this approach, σ ∞ and δ were taken as fit parameters.…”

Section: Resultsmentioning

confidence: 99%

“…Beyond its original implementation, the Tolman equation is widely applied also in the description of crystallization of multicomponent liquids caused by variations of temperature . The correctness of its wide use in the description of melt crystallization is supported by the following arguments: (a) a variety of experimental data confirm (in agreement with the principle of le Chatelier‐Braun) that the surface tension decreases with decreasing temperature ie, with an increase of the degree of deviation from thermodynamic equilibrium; (b) a similar decrease of the surface tension with increase of the degree of metastability of the liquid is observed for pressure‐induced crystal nucleation; (c) mentioned conclusions from experimental results (a) and (b) are reconfirmed by molecular dynamics simulations .…”

Section: Introductionmentioning

confidence: 87%

“…In this way, the number of fit parameters in the theoretical description of crystal nucleation is reduced by one. Such reduction is of high significance in treating crystal nucleation not only for the systems discussed by us earlier in but in general. The derivation of such relations for the specification of the Tolman parameter, their application, generalization, and discussion are the main aims of the present contribution.…”

Section: Introductionmentioning

confidence: 95%

“…Following the above considerations, Tolman's equation was employed by some of us in order to describe the steady state nucleation rate in a variety of silicate glass‐forming melts taking both the surface tension for planar interfaces and the Tolman parameter, δ, in Equation as fit parameters. In such approach a good agreement can be reached between theory and experiment from the melting or liquidus temperature down to temperatures near to the maximum of the steady state nucleation rate.…”

Section: Introductionmentioning

confidence: 99%

“…In such approach a good agreement can be reached between theory and experiment from the melting or liquidus temperature down to temperatures near to the maximum of the steady state nucleation rate. For lower temperatures, additional factors have to be accounted for in the theoretical description of crystal nucleation employing assumptions going beyond CNT (for details see and also recent molecular dynamics simulations). Latter problems are not considered here.…”

Section: Introductionmentioning

confidence: 99%

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To achieve a quantitative agreement of experimental data with theoretical predictions, in classical nucleation theory a curvature‐ or size‐dependence of the surface tension of critical clusters has to be accounted for. For its description, frequently the Tolman equation is chosen. Tolman derived his relation originally in application to droplets or bubbles in one‐component fluids assuming that nucleation is caused by variations of pressure. As shown here his approach and the resulting basic relations are applicable also to the description of crystal nucleation in multi‐component fluids if either pressure or temperature is changed. Estimates of the Tolman parameter in application to crystallization are advanced for both the mentioned cases. The Tolman parameter is shown to depend on the surface tension for a planar interface, the number of components in the liquid, the bulk properties of both the liquid and crystal phases, and the way the metastable state is generated. In addition, we develop a method of improving the precision in the specification of the curvature dependence of the surface tension in melt crystallization going beyond the Tolman equation in its original form. The results are applied successfully to the description of crystal nucleation in silicate glass‐forming melts.

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Section: Resultsmentioning

confidence: 99%