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A kinetic-Monte Carlo perspective on active matter.

Juliane U Klamser1, Sebastian C Kapfer2, Werner Krauth1

  • 1Laboratoire de Physique Statistique, Département de physique de l'ENS, Ecole Normale Supérieure, PSL Research University, Université Paris Diderot, Sorbonne Paris Cité, Sorbonne Universités, UPMC Univ. Paris 06, CNRS, 75005 Paris, France.

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Summary

We mapped the phase diagram for active matter, revealing motility-induced phase separation (MIPS) and two-step melting. Increased particle activity can melt solids, with melting lines separate from MIPS.

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Area of Science:

  • Condensed Matter Physics
  • Statistical Mechanics
  • Active Matter Physics

Background:

  • Active matter systems, composed of self-propelled entities, exhibit complex collective behaviors not found in equilibrium systems.
  • Motility-induced phase separation (MIPS) is a key phenomenon where self-propelled particles spontaneously form dense and dilute regions.
  • Understanding the phase behavior of interacting self-propelled particles is crucial for explaining diverse natural and synthetic active systems.

Purpose of the Study:

  • To quantitatively establish the phase diagram for interacting two-dimensional self-propelled particles.
  • To investigate the interplay between motility-induced phase separation (MIPS) and solid-liquid melting transitions.
  • To explore the influence of inter-particle potential stiffness and activity on emergent phase behaviors.

Main Methods:

  • Utilized a persistent kinetic Monte Carlo simulation approach to model the system dynamics.
  • Analyzed particle configurations to identify distinct phases and phase boundaries.
  • Systematically varied inter-particle potential stiffness and particle activity as control parameters.

Main Results:

  • Successfully mapped a quantitative phase diagram, including the motility-induced phase separation (MIPS) region.
  • Demonstrated two-step melting with an intermediate hexatic phase for various potential forms, occurring far from equilibrium.
  • Showed that increased particle activity can induce melting of the 2D solid, with melting lines remaining distinct from MIPS.
  • Identified the MIPS phase even in the hard-disk limit, indicating its robustness.
  • Established that three independent control parameters are necessary for a complete description of the phase behavior.

Conclusions:

  • The phase behavior of interacting 2D self-propelled particles is rich and requires at least three control parameters.
  • Motility-induced phase separation and solid melting are distinct phenomena, though both are influenced by particle activity.
  • The presence of a hexatic phase during melting highlights complex ordering dynamics in these non-equilibrium systems.