journal article·2019-05Open access

Solving the classical nucleation theory with respect to the surface energy

Daniel R. Cassar

Abstract

An essential parameter of the Classical Nucleation Theory (CNT) is the surface energy between a critical-size nucleus and the ambient phase, $σ$. In condensed matter, this parameter cannot be experimentally determined independently of CNT. A common practice to obtain $σ$ is to assume a model for its temperature-dependence and perform a regression of the CNT equation against experimental nucleation data. The drawback of this practice is that assuming the temperature-dependence of $σ$ adds a bias to the analysis. Nonetheless, this practice is common because an analytical solution of the Classical Nucleation Theory with respect to $σ$ is not possible considering common expressions of this theory. In this article, a general numerical solution to this problem using the Lambert $W$ function is proposed, tested, and compared with typical regression methods. The major advantage of the proposed method is that there is no need to assume a model for the temperature-dependence of $σ$.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: nanoparticles nucleation surface interactions · Advanced Thermodynamics and Statistical Mechanics · Material Dynamics and Properties

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