Persona: Español Garrigos, José
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Español Garrigos
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Publicación Boundary conditions derived from a microscopic theory of hydrodynamics near solids(American Institute of Physics, 2019-04-08) Camargo-Trillos, Diego; Torre, J. A. de la; Delgado Buscalioni, Rafael; Chejne, Farid; Español Garrigos, JoséThe theory of nonlocal isothermal hydrodynamics near a solid object derived microscopically in the study by Camargo et al. [J. Chem. Phys. 148, 064107 (2018)] is considered under the conditions that the flow fields are of macroscopic character. We show that in the limit of macroscopic flows, a simple pillbox argument implies that the reversible and irreversible forces that the solid exerts on the fluid can be represented in terms of boundary conditions. In this way, boundary conditions are derived from the underlying microscopic dynamics of the fluid-solid system. These boundary conditions are the impenetrability condition and the Navier slip boundary condition. The Green-Kubo transport coefficients associated with the irreversible forces that the solid exert on the fluid appear naturally in the slip length. The microscopic expression for the slip length thus obtained is shown to coincide with the one provided originally by Bocquet and Barrat [Phys. Rev. E 49, 3079 (1994)].Publicación Boundary conditions derived from a microscopic theory of hydrodynamics near solids(American Institute of Physics, 2019-04-08) Camargo-Trillos, Diego; Torre, J. A. de la; Delgado Buscalioni, Rafael; Chejne, Farid; Español Garrigos, JoséThe theory of nonlocal isothermal hydrodynamics near a solid object derived microscopically in the study by Camargo et al. [J. Chem. Phys. 148, 064107 (2018)] is considered under the conditions that the flow fields are of macroscopic character. We show that in the limit of macroscopic flows, a simple pillbox argument implies that the reversible and irreversible forces that the solid exerts on the fluid can be represented in terms of boundary conditions. In this way, boundary conditions are derived from the underlying microscopic dynamics of the fluid-solid system. These boundary conditions are the impenetrability condition and the Navier slip boundary condition. The Green-Kubo transport coefficients associated with the irreversible forces that the solid exert on the fluid appear naturally in the slip length. The microscopic expression for the slip length thus obtained is shown to coincide with the one provided originally by Bocquet and Barrat [Phys. Rev. E 49, 3079 (1994)].Publicación Statistical mechanics of the GENERIC framework under external forcing(American Institute of Physics, 2023-07-10) Español Garrigos, JoséThe 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.Publicación Statistical mechanics of the GENERIC framework under external forcing(American Institute of Physics, 2023-07-10) Español Garrigos, JoséThe 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.