Abstract

In this short review article we discuss the use of Ising lattice model as a testbed for improvement of theory of both homogeneous and heterogeneous nucleation theory. First we briefly overview the classical nucleation theory (CNT), and two typical simple systems on which simulations are performed - hard spheres, and Ising lattice model. Than we overview some results obtained by this approach and point to possible new directions of research and improvement.

Highlights

  • As a process naturally occuring on the scale of individual atoms to thousands of atoms, the nucleation has always been a window to the nanoscale world

  • The difficulty with experimental tests is related to the fact that predictions for a relatively small space of experimental data are based on a much bigger space of model parameters and assumptions

  • In 2001, Auer and Frenkel [14] used a model of hard spheres to predict absolute crystal nucleation rates without any adjustable parameters and most of the assumptions of classical nucleation theory (CNT)

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Summary

Nucleation

As a process naturally occuring on the scale of individual atoms to thousands of atoms, the nucleation has always been a window to the nanoscale world It was studied well before the current advances in nanoscience and nanotechnology in various phase transitions including condensation, cavitation, solidification, crystallization and precipitation. It has been studied in various fields of physics and technology, ranging from atmospheric physics concerned with condensation of water vapor to studies of radiation damage in materials important for reactor technology applications [1], and even in fields seemingly detached from the nanoscale, such as the technology of building materials [2]. Some small clusters of the new phase — “embryos” — appear due to stochastic fluctuations If they reach a certain critical size, the embryos become growable and stable “nuclei”. The theory is still widely used to describe the nucleation stage of phase transition in many contexts

Nucleation barrier
Nucleation rate
Improvements to nucleation theory
Modern statistical sampling methods
Testbed systems and results
Hard spheres
Ising model
Conclusions and prospects for future research
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