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Active particles in explicit solvent: Dynamics of clustering for alignment interaction.

Arabinda Bera1,2, Soudamini Sahoo3, Snigdha Thakur3

  • 1Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064, India.

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Summary

We investigated active particle clustering in explicit solvents using a hybrid simulation approach. Hydrodynamics and particle activity significantly influence cluster growth mechanisms, switching between diffusion, coalescence, and aggregation.

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Area of Science:

  • Soft Matter Physics
  • Active Matter Systems
  • Computational Physics

Background:

  • Active particles in explicit solvents exhibit complex clustering dynamics.
  • Understanding these dynamics is crucial for various applications, from materials science to biology.
  • Hydrodynamic interactions play a significant role in the collective behavior of active matter.

Purpose of the Study:

  • To investigate the dynamics of clustering in active particle systems immersed in an explicit solvent.
  • To quantify the effects of particle activity and hydrodynamic interactions on clustering.
  • To explore the different cluster growth mechanisms and their corresponding growth laws.

Main Methods:

  • Hybrid simulation combining molecular dynamics (MD) and multiparticle collision dynamics (MPCD).
  • Utilized modified Lennard-Jones potentials for inter-particle interactions.
  • Incorporated Vicsek-like alignment rules for self-propulsion to induce clustering.

Main Results:

  • Identified switching growth mechanisms: particle diffusion, diffusive coalescence, and ballistic aggregation.
  • Demonstrated that active and hydrodynamic interactions modulate cluster growth and mobility.
  • Observed distinct cluster morphologies at low active particle densities near the vapor-coexistence curve.

Conclusions:

  • Multiparticle collision dynamics (MPCD) is effective for studying hydrodynamic phenomena in phase-separating active matter.
  • The interplay between activity and hydrodynamics dictates the emergent clustering behavior.
  • Results provide insights into the fundamental mechanisms governing self-organized structures in active systems.