Alternative Theory of Nucleation in Super-Cooled Liquids

Laurent-Charles Valdès; Frédéric Affouard

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arXiv · 1803.03454

Alternative Theory of Nucleation in Super-Cooled Liquids

Laurent-Charles Valdès·Frédéric Affouard

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Abstract

Having discovered a dimension mistake in two key formulas of the Classical Nucleation Theory (CNT) but wishing to remain in the style of this theory, we propose to approach nucleation on the basis of the Zeldovich unsteady rate formula, with the dimensionally correct expressions for the nucleation rate and time constant. Beforehand, the problematic status - physical size or simple parameter - of interfacial tension in CNT was audited. The results of numerical simulations on nucleation in various attraction but fixed repulsion conditions of the interaction potential have led us to motivate, then establish, a thermal evolution law for interfacial tension. Taking into account a scale dependance in the vicinity of absolute zero in temperature, this law is of stretched Arrhenius type. It works with the Zeldovich formula, notably for the determination of adjusting parameters. A remarkably accurate adjusting of this law to the numerical simulations has been obtained and led us to exhibit melting crystal volume as a measure of potential attractivity. It should allow accurate forecasts of instantaneous nucleation rate and average nucleation duration in physical or numerical super-cooled monoatomic liquids.

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Laurent-Charles Valdès, Frédéric Affouard. 2018-03-09. Alternative Theory of Nucleation in Super-Cooled Liquids. https://arxiv.org/abs/1803.03454

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