Dynamics of a self-interacting sheet in shear flow.

Abstract

Solution processing of 2D materials such as graphene is important for applications thereof, yet a complete fundamental understanding of how 2D materials behave dynamically in solution is lacking. Here, we extend previous work by Silmore et al., Soft Matter, 2021, 17(18), 4707-4718 by adding short-ranged Lennard-Jones interactions to 2D sheets in shear flow. We find that the addition of these interactions allows for a rich landscape of conformations which depend on the balance between shear strength, bending rigidity, and interaction strength as well as the initial configuration of the sheet. We explore this conformational space and classify sheets as flat, tumbling, 1D folded, or 2D folded based on their conformational properties. We use kinetic and energetic arguments to explain why sheets adopt certain conformations within the folded regime. Finally, we calculate the stresslet and find that, even in the absence of thermal fluctuations and multiple sheet interactions, shear-thinning followed by shear-thickening behavior can appear.