Molecular simulations and hydrodynamic theory of nonlocal shear stress correlations in supercooled fluids and glasses
ORAL
Abstract
A supercooled fluid close to the glass transition develops nonlocal shear stress correlations that anticipate the emergence of elasticity. We performed molecular dynamics simulations of a binary Lennard-Jones mixture at different temperatures and investigated the spatiotemporal autocorrelation function of the shear stress for different wavevectors, q, from a locally measured and Fourier-transformed stress tensor. Anisotropic correlations are observed at non-zero wavevectors, exhibiting strongly damped oscillations with a characteristic frequency ω(q). A comparison with a recently developed hydrodynamic theory [Maier et al., Phys. Rev. Lett. 119, 265701 (2017)] shows a remarkably good quantitative agreement between the particle-based simulations and the theoretical predictions.
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Publication: The Journal of Chemical Physics 157 (6), 064501 (2022)
Presenters
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Joerg Rottler
University of British Columbia
Authors
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Joerg Rottler
University of British Columbia
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David Steffen
Universitaet Goettingen
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Ludwig Schneider
University of Chicago, PME
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Marcus Mueller
University of Gottingen