We investigate the effect of hydrodynamic interactions (HIs) on the crystal nucleation of hard-sphere colloids for varying supersaturations. We use molecular dynamics and stochastic rotation dynamics techniques to account for the HIs. For high supersaturation values, we perform brute force simulations and compute the nucleation rate, obtaining good agreement with previous studies where HIs were neglected. In order to access low supersaturation values, we use a seeding approach method and perform simulations with and without HIs. We compute the nucleation rates for the two cases and surprisingly find good agreement between them. The nucleation rate in both cases follows the trend of the previous numerical results, thereby corroborating the discrepancy between experiments and simulations. Furthermore, we investigate the amount of fivefold symmetric clusters (FSCs) in a supersaturated fluid under different physical conditions, following the idea that FSCs compete against nucleation. To this end, we explore the role of the softness of the pair interactions, different solvent viscosities, and different sedimentation rates in simulations that include HIs. We do not find significant variations in the amount of FSCs, which might reflect the irrelevance of these three features on the nucleation process.
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14 February 2020
Research Article|
February 10 2020
The effect of hydrodynamics on the crystal nucleation of nearly hard spheres
Giulia Fiorucci
;
Giulia Fiorucci
a)
1
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Department of Physics, Utrecht University
, Princetonplein 1, 3584 CC Utrecht, The Netherlands
a)Author to whom correspondence should be addressed: giulia.fiorucci7@gmail.com
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Gabriele M. Coli;
Gabriele M. Coli
1
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Department of Physics, Utrecht University
, Princetonplein 1, 3584 CC Utrecht, The Netherlands
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Johan T. Padding
;
Johan T. Padding
2
Process and Energy Department, TU Delft
, Leeghwaterstraat 39, 2628 CB Delft, The Netherlands
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Marjolein Dijkstra
Marjolein Dijkstra
1
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Department of Physics, Utrecht University
, Princetonplein 1, 3584 CC Utrecht, The Netherlands
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a)Author to whom correspondence should be addressed: giulia.fiorucci7@gmail.com
J. Chem. Phys. 152, 064903 (2020)
Article history
Received:
November 13 2019
Accepted:
January 22 2020
Citation
Giulia Fiorucci, Gabriele M. Coli, Johan T. Padding, Marjolein Dijkstra; The effect of hydrodynamics on the crystal nucleation of nearly hard spheres. J. Chem. Phys. 14 February 2020; 152 (6): 064903. https://doi.org/10.1063/1.5137815
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