Impact of Surface Roughness on Crystal Nucleation
| Autor: | James F. Lutsko, Patrick Grosfils |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Surface (mathematics)
Materials science Heterogeneous nucleation crystallization General Chemical Engineering Nucleation 02 engineering and technology Surface finish law.invention Inorganic Chemistry Crystal Physico-chimie générale 03 medical and health sciences Thermodynamique et thermochimie [physique] law lcsh:QD901-999 Surface roughness Physique des surfaces General Materials Science Kinetic Monte Carlo Crystallization 030304 developmental biology 0303 health sciences Supersaturation Généralités 021001 nanoscience & nanotechnology Condensed Matter Physics heterogeneous nucleation Physique statistique classique et relativiste Rough surface rough surface Chemical physics lcsh:Crystallography 0210 nano-technology |
| Zdroj: | Crystals Volume 11 Issue 1 Crystals, 11 (1 Crystals, Vol 11, Iss 4, p 4 (2021) |
| ISSN: | 2073-4352 |
| DOI: | 10.3390/cryst11010004 |
| Popis: | We examine the effect of rough surfaces on crystal nucleation by means of kinetic Monte Carlo simulations. Our work makes use of three-dimensional kMC models, explicit representation of transport in solution and rough surfaces modeled as randomly varying height fluctuations (rough-ness) with exponentially decaying correlation length (topology). We use Forward-Flux Sampling to determine the nucleation rate for crystallization for surfaces of different roughness and topology and show that the effect on crystallization is a complex interplay between the two. For surfaces with low roughness, small clusters form on the surface but as clusters become larger they are increasingly likely to be found in the bulk solution while rougher surfaces eventually favor heterogeneous nucleation on the surface. In both cases, the rough surface raises the local supersaturation in the solution thus leading to another mechanism of enhanced nucleation rate. SCOPUS: ar.j info:eu-repo/semantics/published |
| Databáze: | OpenAIRE |
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