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Influence of Hydrodynamic Interactions on Colloidal Crystallization.

Michio Tateno1, Taiki Yanagishima2, John Russo3

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Physical Review Letters
|January 11, 2020
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Summary

Hydrodynamic interactions (HI) do not explain the faster crystallization nucleation rates seen in experiments compared to simulations. Adjusting simulation timescales based on colloid diffusion accurately models experimental results, suggesting other factors are at play.

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Area of Science:

  • * Physical Chemistry
  • * Materials Science
  • * Computational Physics

Background:

  • * Discrepancies exist between experimental and simulation data for crystallization nucleation rates.
  • * The hard-sphere system, a simple liquid model, exhibits this nucleation rate problem.
  • * Hydrodynamic interactions (HI) are often cited as a potential explanation for this discrepancy.

Purpose of the Study:

  • * To investigate the role of hydrodynamic interactions (HI) in the discrepancy between experimental and simulation nucleation rates.
  • * To determine if HI significantly impacts crystallization kinetics in the hard-sphere system.
  • * To assess the influence of long-time diffusive dynamics on nucleation and growth processes.

Main Methods:

  • * Comparison of simulation results with and without the inclusion of hydrodynamic interactions (HI).
  • * Analysis of colloid diffusive dynamics and their dependence on volume fraction.
  • * Rescaling simulation timescales to account for observed hydrodynamic lubrication effects.

Main Results:

  • * Hydrodynamic lubrication effects slow down colloid diffusion more rapidly with increasing volume fraction.
  • * Both nucleation and growth kinetics are governed by this long-time diffusion.
  • * Rescaling simulation timescales can account for most of the effects attributed to HI.

Conclusions:

  • * Hydrodynamic interactions (HI) are not the primary cause of accelerated nucleation rates observed in experiments.
  • * The study highlights the importance of long-time diffusive dynamics in crystallization kinetics.
  • * Accurate modeling of colloid diffusion is crucial for reconciling simulation and experimental data in crystallization studies.