Thermodynamics and Rheology of Novel Nano and Micro Self-Assembled Phases

Monday, October 17, 2011
Exhibit Hall B (Minneapolis Convention Center)
Umang Agarwal and Fernando A. Escobedo, Chemical and Biomolecular Engineering, Cornell University, Ithaca, NY

Shape anisotropic particles can assemble in many novel ordered and partially ordered 'mesophases'  with differences in their translational and orientational ordering, which in turn manifests in distinctive physical properties. To understand the basic mechanism of their assembly and certain non-equilibrium mechanical properites, we have carried out Monte Carlo and non equilibrium molecular dynamics simulation on certain classes of multi-faceted and multi-lobed particles. Specifically phase behavior of a class of polyhedral particles and rheology of 2D assemblies of dumbbell shaped particles are studied. As a result guidelines for prediction of phase behavior of polyhedral particles and effect of differences in dislocation transport mechanism and shear induced melting of 2D dimer crystals are uncovered.

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