The early crystal nucleation process in hard spheres shows synchronised ordering and densification
| Autor: | Tanja Schilling, Muhammad Anwar, Sven Dorosz, Joshua T. Berryman |
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| Přispěvatelé: | Fonds National de la Recherche - FnR [sponsor], University of Luxembourg: High Performance Computing - ULHPC [research center] |
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Physics [G04] [Physical chemical mathematical & earth Sciences] Nucleation FOS: Physical sciences General Physics and Astronomy Condensed Matter - Soft Condensed Matter 01 natural sciences Crystal Colloidal systems 0103 physical sciences Cluster (physics) Physical and Theoretical Chemistry Diffusion (business) 010306 general physics Condensed Matter - Statistical Mechanics Statistical Mechanics (cond-mat.stat-mech) 010304 chemical physics Hexagonal crystal system Monte Carlo methods Hard spheres Physique [G04] [Physique chimie mathématiques & sciences de la terre] Chemical physics Scientific method Soft Condensed Matter (cond-mat.soft) Particle |
| Zdroj: | Journal of Chemical Physics, 145, 211901. New York, NY: American Institute of Physics (2016). |
| ISSN: | 1089-7690 |
| Popis: | We investigate the early part of the crystal nucleation process in the hard sphere fluid using data produced by computer simulation. We find that hexagonal order manifests continuously in the overcompressed liquid, beginning approximately one diffusion time before the appearance of the first `solid-like' particle of the nucleating cluster, and that a collective influx of particles towards the nucleation site occurs simultaneously to the ordering process: the density increases leading to nucleation are generated by the same individual particle displacements as the increases in order. We rule out the presence of qualitative differences in the early nucleation process between medium and low overcompressions, and also provide evidence against any separation of translational and orientational order on the relevant lengthscales. |
| Databáze: | OpenAIRE |
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