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Mesoscopic simulations of active nematics.

Timofey Kozhukhov1, Tyler N Shendruk1

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We developed a new simulation method for active nematics, a type of fluid with self-propelled particles. This active nematic multiparticle collision dynamics (AN-MPCD) method allows for mesoscale simulations of complex active systems.

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Area of Science:

  • Soft condensed matter physics
  • Computational fluid dynamics
  • Active matter physics

Background:

  • Coarse-grained simulations are essential for modeling soft matter systems with significant solvent roles.
  • Existing methods primarily focus on passive solvents, limiting the study of far-from-equilibrium active fluids.
  • There is a need for coarse-grained simulation techniques capable of modeling active fluid media.

Purpose of the Study:

  • To introduce a novel algorithm for simulating active nematics.
  • To extend multiparticle collision dynamics (MPCD) to incorporate active fluid behavior.
  • To bridge the gap between microscopic and continuum descriptions of active systems.

Main Methods:

  • Developed an active nematic MPCD (AN-MPCD) algorithm.
  • Modified the MPCD collision operator to include dipolar activity.
  • Built upon existing MPCD methods for passive fluctuating nematohydrodynamics.

Main Results:

  • AN-MPCD simulations successfully replicate key characteristics of active nematic turbulence.
  • The particle-based AN-MPCD algorithm captures essential attributes of active particle models.
  • Demonstrated the capability to simulate composite systems containing both active and passive components.

Conclusions:

  • AN-MPCD provides a versatile mesoscale simulation approach for active nematics.
  • This method effectively bridges microscopic and continuum simulation scales.
  • Enables the study of complex active-passive systems previously inaccessible to coarse-grained methods.