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Improvements of Simulation Methods in Microphase Formers

ORAL

Abstract

Microphases are thermodynamically stable mesoscale structures that typically result from competing short-range attractive and long-range repulsive (SALR) interactions. If repulsion sufficiently strongly frustrates attraction, simple gas-liquid coexistence is indeed replaced by a rich set of ordered and disordered structures. Even though the latter are less aesthetic materials targets, they have found a number of applications in drug delivery, nanoscale patterning and lithography. They are also largely overlooked by theoretical treatments. Numerical studies have thus been necessary to reveal their rich interplay between structure and dynamics. This richness, however, makes efficient configurational sampling challenging. In this work, we evaluate the sampling efficiency of several enhanced Monte Carlo sampling techniques for disordered microphases, and devise optimized algorithms for specific regimes including cluster and percolated fluids. With these improved algorithms, the disordered phase can be thoroughly studied, revealing an even richer than anticipated set of morphologies.

Presenters

  • Mingyuan Zheng

    Duke University

Authors

  • Mingyuan Zheng

    Duke University

  • Patrick Charbonneau

    Duke University, Department of Chemistry and Physics, Duke University