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• W2149362274 abstract "The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled structures were obtained including spherical micelle-like clusters, elongated clusters, and densely packed cylinders, depending on both the state conditions and shape of the trimer. Advanced simulation techniques were employed to determine transitions between self-assembled structures and macroscopic phases using thermodynamic and structural definitions. Simple changes in particle geometry yield dramatic changes in phase behavior, ranging from macroscopic fluid phase separation to molecular-scale self-assembly. In special cases, both self-assembled, elongated clusters and bulk fluid phase separation occur simultaneously. Our work suggests that tuning particle shape and interactions can yield superstructures with controlled architecture." @default.
• W2149362274 created "2016-06-24" @default.
• W2149362274 creator A5002702315 @default.
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• W2149362274 date "2015-04-24" @default.
• W2149362274 modified "2023-10-16" @default.
• W2149362274 title "Computational study of trimer self-assembly and fluid phase behavior" @default.
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• W2149362274 doi "https://doi.org/10.1063/1.4918557" @default.
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