Polymer brush bilayer under non-equilibrium
shear inversion: An MD simulation approach

Mike Edwards

doi:10.26434/chemrxiv-2023-ls2md-v2

Polymer Science

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Polymer brush bilayer under non-equilibrium shear inversion: An MD simulation approach

28 September 2023, Version 2

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Working Paper

Mike Edwards

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Abstract

The polymer brush bilayer under non-equilibrium shear inversion is studied by means of MD simulations with Langevin and DPD thermostats. The temporal evo- lution of the shear stress reveals that there is an overshoot during shear inversion only with hydrodynamic interactions i.e. DPD. The overshoot in the shear stress takes place moments after the chains stretch in the opposite shear direction and before the new stationary shear is established. Nature suppresses this overshoot by an unknown mechanism which is an open problem for the future researches.

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Version History

Oct 13, 2023 Version 3

Sep 28, 2023 Version 2

Sep 20, 2023 Version 1

Version Notes

The hydrodynamic interactions results added, the fig. (1) added to show distinct sequences of phenomenon and the abstract and results sections changed accordingly.