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Anisotropic particle multiphase equilibria in nonuniform fields.

Philippe B Baron1, Rachel S Hendley1, Michael A Bevan1

  • 1Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA.

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We developed a new model to predict how hard ellipses arrange in different phases within external fields. This method accurately forecasts particle distribution and phase behavior, aiding in controlling microstructures.

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Area of Science:

  • Physics
  • Materials Science
  • Statistical Mechanics

Background:

  • Predicting the behavior of anisotropic particles like hard ellipses in external fields is complex.
  • Understanding multiphase equilibria (fluid, nematic, crystal) is crucial for materials design.

Purpose of the Study:

  • To develop and validate a method for predicting equilibrium concentration profiles of hard ellipses in nonuniform fields.
  • To model multiphase equilibria including fluid, nematic, and crystal phases.

Main Methods:

  • Utilized a balance of osmotic pressure and field-mediated forces.
  • Employed the local density approximation.
  • Developed accurate equations of state for hard ellipses with varying aspect ratios (k=1-9).

Main Results:

  • Predicted density profiles showed good agreement with Monte Carlo simulations for aspect ratios k=2, 4, and 6.
  • Observed good agreement for local order parameters in positional and orientational order.
  • Identified discrepancies at interfaces due to approximation limitations and system size.

Conclusions:

  • The model successfully captures multiphase equilibria of hard ellipses in nonuniform fields.
  • It provides a foundation for controlling anisotropic particle microstructure based on aspect ratio.
  • This has potential applications in diverse materials and interfacial energy landscape engineering.