Publicación: Non-local viscosity from the Green–Kubo formula
Fecha
2020-05-07
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info:eu-repo/semantics/openAccess
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American Institute of Physics (AIP)
Resumen
We study through MD simulations the correlation matrix of the discrete transverse momentum density field in real space for an unconfined Lennard-Jones fluid at equilibrium. Mori theory predicts this correlation under the Markovian approximation from the knowledge of the non-local shear viscosity matrix, which is given in terms of a Green–Kubo formula. However, the running Green–Kubo integral for the non-local shear viscosity does not have a plateau. By using a recently proposed correction for the Green–Kubo formula that eliminates the plateau problem [Español et al., Phys. Rev. E 99, 022126 (2019)], we unambiguously obtain the actual non-local shear viscosity. The resulting Markovian equation, being local in time, is not valid for very short times. We observe that the Markovian equation with non-local viscosity gives excellent predictions for the correlation matrix from a time at which the correlation is around 80% of its initial value. A local in space approximation for the viscosity gives accurate results only after the correlation has decayed to 40% of its initial value.
Descripción
The registered version of this article, first published in “The Journal of Chemical Physics Volumen: 152", is available online at the publisher's website: AIP Publishing, https://doi.org/10.1063/5.0006212
La versión registrada de este artículo, publicado por primera vez en “The Journal of Chemical Physics Volumen: 152", está disponible en línea en el sitio web del editor: AIP Publishing, https://doi.org/10.1063/5.0006212
Categorías UNESCO
Palabras clave
Molecular dynamics, Finite-element analysis, Operator theory, Nanofluidics, Lennard-Jones fluid, Hydrodynamics, Viscosity, Statistical thermodynamics
Citación
D Duque-Zumajo, JA De La Torre, Pep Español, 2020. Non-local viscosity from the Green–Kubo formula, The Journal of Chemical Physics Volumen: 152 Número: 17, https://doi.org/10.1063/5.0006212
Centro
Facultad de Ciencias
Departamento
Física Fundamental