Controlling crystallization: what liquid structure and dynamics reveal about crystal nucleation mechanisms
| Autor: | Jutta Rogal, Grisell Díaz Leines |
|---|---|
| Rok vydání: | 2023 |
| Předmět: |
Chemical Physics (physics.chem-ph)
Condensed Matter - Materials Science Physics - Chemical Physics General Mathematics General Engineering Soft Condensed Matter (cond-mat.soft) Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences General Physics and Astronomy Condensed Matter - Soft Condensed Matter |
| Zdroj: | Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 381 |
| ISSN: | 1471-2962 1364-503X |
| Popis: | Over recent years, molecular simulations have provided invaluable insights into the microscopic processes governing the initial stages of crystal nucleation and growth. A key aspect that has been observed in many different systems is the formation of precursors in the supercooled liquid that precedes the emergence of crystalline nuclei. The structural and dynamical properties of these precursors determine to a large extent the nucleation probability as well as the formation of specific polymorphs. This novel microscopic view on nucleation mechanisms has further implications for our understanding of the nucleating ability and polymorph selectivity of nucleating agents, as these appear to be strongly linked to their ability in modifying structural and dynamical characteristics of the supercooled liquid, namely liquid heterogeneity. In this perspective, we highlight recent progress in exploring the connection between liquid heterogeneity and crystallization, including the effects of templates, and the potential impact for controlling crystallization processes. This article is part of a discussion meeting issue ‘Supercomputing simulations of advanced materials’. |
| Databáze: | OpenAIRE |
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