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Phase diagram of trivalent and pentavalent patchy particles
Flavio Romano1, Eduardo Sanz, Piero Tartaglia
1Dipartimento di Fisica, Sapienza-Università di Roma, Piazzale Aldo Moro 5, 00185 Roma, Italy.
Summary
This study maps the phase diagrams for three- and five-patch particle models. Results reveal complex phase behaviors, including re-entrant melting and stable liquid phases, offering insights into particle self-assembly.
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- Patchy particle models are crucial for understanding self-assembly and complex fluid behavior.
- Previous studies explored four-patch models, highlighting phenomena like re-entrant melting.
Purpose of the Study:
- To compute and analyze the equilibrium phase diagrams of three- and five-patch particle models.
- To investigate the influence of patch number on phase behavior across a wide range of pressures and temperatures.
Main Methods:
- Computational modeling of patchy particle systems.
- Equilibrium phase diagram calculations.
- Analysis of thermodynamic stability and phase transitions.
Main Results:
- Both models exhibit low-density crystal structures competing with fluid phases.
- The five-patch model displays re-entrant melting, a metastable gas-liquid critical point, and a stable high-density liquid.
- The three-patch model shows a stable gas-liquid critical point and a stable liquid phase within feasible temperature ranges.
Conclusions:
- The number of patches significantly influences the phase behavior of particle systems.
- The three-patch model suggests potential for liquid phase stability down to vanishing interaction ranges.
- These findings advance the understanding of self-assembly and phase transitions in soft matter.
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