Abstract
Elucidating the underlying mechanisms of molecular solidification in both homo- and hetero-geneous systems is of paramount importance for a large swathe of natural phenomena (whether on Earth or throughout the Universe), as well as a whole litany of industrial processes. One lesser-studied aspect of these disorder-order transitions is the effect of external applied fields, shifting both thermodynamic driving forces and underlying kinetics, and, indeed, fundamental mechanisms themselves. Perhaps this is nowhere more apparent than in the case of externally-applied electric fields, where there has been a gradually increasing number of reports in recent years of electro-manipulated crystallisation imparted by such electric fields. Drawing motivations from both natural phenomena, state-of-the-art experiments and, indeed, industrial applications, this review focusses on how non-equilibrium molecular simulation has helped to elucidate crystallisation phenomena from a microscopic perspective, as well as offering an important, predictive molecular-design approach with which to further refine in-field-crystallisation operations.
Highlights
Simulation of Crystallisation inIn recent decades, the effect of externally-applied fields of various types on solidification and wider disorder-order transitions has become more important, in both homo- and hetero-geneous systems
The effect of externally-applied fields of various types on solidification and wider disorder-order transitions has become more important, in both homo- and hetero-geneous systems. This has arisen from realisation of the importance of these external fields in shifting thermodynamic and kinetic crystallisation phenomena, as well as their underlying mechanisms; this greater awareness has both motivated and facilitated their increasing study in terms of both natural phenomena and industrial processes
Despite their ubiquity and importance, perhaps this is nowhere more apparent than in the case of externally-applied electric fields, where there has been a gradually increasing number of reports in recent years of electro-manipulated crystallisation and intra-crystal phenomena imparted by such electric fields, which we shall discuss in the present review in due course
Summary
The effect of externally-applied fields of various types (e.g., sonic, acoustic, electric, and electromagnetic) on solidification and wider disorder-order transitions has become more important, in both homo- and hetero-geneous systems. In part, this has arisen from realisation of the importance of these external fields in shifting thermodynamic and kinetic crystallisation phenomena, as well as their underlying mechanisms; this greater awareness has both motivated and facilitated their increasing study in terms of both natural phenomena (whether on Earth itself, or farther afield in the Universe) and industrial processes. Similar features were seen in laser-ablation-based shockwaves in the transition of water to ice VII at high-pressure conditions [6], often mimicking those present in other water-containing planetary bodies, such as Europa and Enceladus
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