We present a mathematical framework to include quantum interfacial interactions, provided by Keldysh nonequilibrium quantum transport formalism, bottom-up coupled to a nanoscale lattice Boltzmann method. As an applicative scenario, we simulate a two-dimensional water flow between two parallel solid plates hosting electrons and phonons in the solid bottom wall. The corresponding tool may prove useful for the computational design of quantum-engineered nanofluidic devices, showing its capability to explore the effects of the interfacial quantum transport phenomena at scales of experimental relevance.

Keldysh Lattice Boltzmann Approach to Quantum Nanofluidics

Succi, S
;
Lauricella, M;Montessori, A
2025

Abstract

We present a mathematical framework to include quantum interfacial interactions, provided by Keldysh nonequilibrium quantum transport formalism, bottom-up coupled to a nanoscale lattice Boltzmann method. As an applicative scenario, we simulate a two-dimensional water flow between two parallel solid plates hosting electrons and phonons in the solid bottom wall. The corresponding tool may prove useful for the computational design of quantum-engineered nanofluidic devices, showing its capability to explore the effects of the interfacial quantum transport phenomena at scales of experimental relevance.
2025
Istituto Applicazioni del Calcolo ''Mauro Picone''
Lattice Boltzmann Approach
Quasiparticles
Carbon Nanotubes
Molecular Dynamics
No Slip Condition
Fluid Continuum
Fluctuation Dissipation Theorem
Nanomaterials
Friction Coefficient
Mathematical Analysis
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/548365
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