Department of Chemical Engineering, Albert Nerken School of Engineering, The Cooper Union for the Advancement of Science and Art
USA
17:00 CET
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Abstract: Nucleation and growth is the formation and subsequent spread of a critically sized nucleus of a stable phase in a metastable phase. It is an important mechanism of first order phase transitions observed in a wide variety of practical systems. For example, it is present in the condensation of water in rainclouds, ice cream making, and crystallization of molecules for purification. This talk will cover theoretical and algorithmic details for the study of nucleation and growth. We will go over the historical background of nucleation and its computational study, the classical nucleation theory, and its manifestation in Monte Carlo and molecular dynamics simulations for example systems (hard spheres, liquid crystals, and polyhedral nanoparticles). For specific systems, the studies require use of rare event sampling methods and development of custom order parameters, for which a brief overview will be provided.
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Financial Support
The Cooper Union for the Advancement of Science and Art is pleased to provide support for the 2024 VWSCC through a generous donation from Alan Fortier.
We thank Leibniz Institute for Catalysis (LIKAT) and CECAM for their support.
Virtual Winter School on Computational Chemistry