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Crystallisation and polymorph selection in active Brownian particles.

Fergus J Moore1,2, C Patrick Royall3,4,5, Tanniemola B Liverpool6

  • 1Bristol Centre for Functional Nanomaterials, University of Bristol, Bristol, BS8 1FD, UK. fergus.moore@bristol.ac.uk.

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Summary
This summary is machine-generated.

Active Brownian particles show suppressed crystallization at higher densities with increased activity (Péclet number). Activity influences nucleation and growth rates, favoring FCC over HCP polymorphs by annealing stacking faults.

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Area of Science:

  • Soft matter physics
  • Statistical mechanics
  • Crystallization phenomena

Background:

  • Crystallization in active matter systems is less understood than in passive systems.
  • Previous studies indicate activity can suppress crystallization and alter phase behavior.

Purpose of the Study:

  • To investigate the effects of activity on crystallization and polymorph selection in Brownian particles.
  • To understand the competition between nucleation and growth rates under varying activity levels.

Main Methods:

  • Numerical simulations of active Brownian particles.
  • Analysis of crystallization kinetics, nucleation rates, and crystal growth dynamics.
  • Examination of polymorph selection (FCC vs. HCP) as a function of Péclet number.

Main Results:

  • Crystallization is suppressed by activity, occurring at higher densities with increasing Péclet number.
  • Nucleation rate decreases with activity, while crystal growth rate increases.
  • A transition from nucleation-growth to spinodal nucleation is observed with decreasing Péclet number.
  • Activity strongly favors FCC polymorphs by annealing HCP stacking faults at high Péclet numbers.

Conclusions:

  • Activity significantly alters crystallization pathways and polymorph selection in Brownian systems.
  • The interplay between nucleation and growth dynamics, influenced by activity, dictates the final crystalline structure.
  • Unlike passive systems, active matter exhibits a strong preference for FCC structures due to defect annealing.