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The Diffusion of Passive Tracers in Laminar Shear Flow
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Shear-induced diffusivity in supercooled liquids.

Mangesh Bhendale1, Jayant K Singh1, Alessio Zaccone2

  • 1Department of Chemical Engineering, Indian Institute of Technology, Kanpur, Uttar Pradesh 208016, India.

The Journal of Chemical Physics
|October 8, 2025
PubMed
Summary
This summary is machine-generated.

In sheared supercooled liquids, molecular diffusivity increases linearly with shear rate, unlike predictions for simple liquids. This study explains this phenomenon using a modified Smoluchowski equation, aligning with simulations and experiments.

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Area of Science:

  • Non-equilibrium physics
  • Condensed matter physics
  • Chemical physics

Background:

  • The Taylor-Aris theory predicts quadratic shear rate dependence for diffusivity in simple sheared liquids.
  • Supercooled liquids exhibit a contrasting linear shear rate dependence of diffusivity, a key observation in non-equilibrium systems.

Purpose of the Study:

  • To derive a theoretical formula for effective molecular diffusivity in supercooled liquids under shear flow.
  • To explain the observed linear enhancement of diffusivity in supercooled liquids.

Main Methods:

  • Derivation of a formula based on the Smoluchowski diffusion-convection equation.
  • Incorporation of an energy barrier model representing the crowded energy landscape.
  • Comparison of theoretical predictions with molecular simulations and experimental data.

Main Results:

  • The derived formula predicts an effective diffusivity with a correction term linear in the shear rate.
  • Theoretical predictions show reasonable agreement with numerical simulations of various liquids.
  • The enhancement in diffusivity is found to be inversely proportional to temperature and directly proportional to zero shear viscosity.

Conclusions:

  • The study provides a theoretical framework explaining the linear shear-induced diffusivity enhancement in supercooled liquids.
  • The findings reconcile theoretical predictions with experimental and simulation results for non-equilibrium liquids.
  • The derived formula offers insights into the behavior of supercooled liquids under shear stress.