608336 Brownian Dynamics Simulations of Colloidal Sheets in Shear Flow

Wednesday, November 18, 2020
Computational Molecular Science and Engineering Forum (21) (Poster Gallery)
Kevin S. Silmore, Michael Strano and James Swan, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA

As 2D materials such as graphene, transition metal dichalcogenides, and 2D polymers become more prevalent, solution processing and colloidal-state properties are being exploited to create advanced and functional materials. However, our understanding of the fundamental behavior of 2D colloidal sheets and membranes in flow is still lacking. In this work, we perform Brownian dynamics simulations of semiflexible colloidal sheets with hydrodynamic interactions in shear flow. Different conformational behaviors, ranging from seemingly chaotic towel-wringing to periodic tumbling are observed as bending energy, stretching energy, and shear flow strength are varied. Parallels and differences with semiflexible polymer chains will be discussed.

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