Persona:
Español Garrigos, José

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0000-0001-5263-2817
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Español Garrigos
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José
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2020 - 20232
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Fecha de inicio: 2020 × Fecha de finalización: 2023 ×

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Mostrando 1 - 2 de 2
  • Miniatura
    Publicación
    Statistical mechanics of the GENERIC framework under external forcing
    (American Institute of Physics, 2023-07-10) Español Garrigos, José
    The General Equation for Non-Equilibrium Reversible Irreversible Coupling (GENERIC) framework provides a thermodynamically consistent approach to describe the evolution of coarse-grained variables. This ramework states that Markovian dynamic equations governing the evolution of coarse-grained variables have a universal structure that ensures energy conservation (first law) and entropy increase (second law). However, the presence of external time-dependent forces can break the energy conservation law, requiring modifications to the framework’s structure. To address this issue, we start from a rigorous and exact transport equation for the average of a set of coarse-grained variables derived from a projection operator technique in the presence of external forces. Under the Markovian approximation, this approach provides the statistical mechanics underpinning of the GENERIC framework under external forcing conditions. By doing so, we can account for the effects of external forcing on the system’s evolution while ensuring thermodynamic consistency.
  • Miniatura
    Publicación
    Non-local viscosity from the Green–Kubo formula
    (American Institute of Physics (AIP), 2020-05-07) Duque Zumajo, Diego; Torre Rodríguez, Jaime Arturo de la; Español Garrigos, José; https://orcid.org/0000-0001-7055-5835; https://orcid.org/0000-0002-1657-0820
    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.