Characterization and efficient Monte Carlo sampling of disordered microphases.
Abstract
The disordered microphases that develop in the high-temperature phase of systems with
competing short-range attractive and long-range repulsive (SALR) interactions result
in a rich array of distinct morphologies, such as cluster, void cluster, and percolated
(gel-like) fluids. These different structural regimes exhibit complex relaxation dynamics
with marked heterogeneity and slowdown. The overall relationship between these structures
and configurational sampling schemes, however, remains largely uncharted. Here, the
disordered microphases of a schematic SALR model are thoroughly characterized, and
structural relaxation functions adapted to each regime are devised. The sampling efficiency
of various advanced Monte Carlo sampling schemes-Virtual-Move (VMMC), Aggregation-Volume-Bias
(AVBMC), and Event-Chain (ECMC)-is then assessed. A combination of VMMC and AVBMC
is found to be computationally most efficient for cluster fluids and ECMC to become
relatively more efficient as density increases. These results offer a complete description
of the equilibrium disordered phase of a simple microphase former as well as dynamical
benchmarks for other sampling schemes.
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Journal articlePermalink
https://hdl.handle.net/10161/24981Published Version (Please cite this version)
10.1063/5.0052114Publication Info
Zheng, Mingyuan; & Charbonneau, Patrick (2021). Characterization and efficient Monte Carlo sampling of disordered microphases. The Journal of chemical physics, 154(24). pp. 244506. 10.1063/5.0052114. Retrieved from https://hdl.handle.net/10161/24981.This is constructed from limited available data and may be imprecise. To cite this
article, please review & use the official citation provided by the journal.
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Show full item recordScholars@Duke
Patrick Charbonneau
Professor of Chemistry
Professor Charbonneau studies soft matter. His work combines theory and simulation
to understand the glass problem, protein crystallization, microphase formation, and colloidal
assembly in external fields.

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