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- W2070290762 abstract "Molecular dynamics (MD) and Navier-Stokes hydrodynamics have been performed to model thermal relaxation processes arising from an initially established nonequilibrium stationary state. A nanoscale two-layer Lennard-Jones (LJ) liquid system was constructed in which the two parts were initially at a different temperature, with a narrow transitional zone between the two layers that was spatially linear in temperature. The highest-temperature layer had widths of five or 20 LJ particle diameters. The hydrodynamics model used parametrized MD-derived transport coefficients and the LJ equation of state as input functions. The temporal and spatial temperature and density profiles produced by the two methods show good agreement, indicating that a hydrodynamics description is reliable even for nonstationary phenomena down to the scale of a few molecular diameters. We found that at certain locations the Navier-Stokes solution predicted that the pressure and temperature profiles relaxed in a damped oscillatory manner, which we could discern despite the fluctuations in the MD data." @default.
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- W2070290762 date "2004-12-29" @default.
- W2070290762 modified "2023-09-25" @default.
- W2070290762 title "Comparisons between molecular dynamics and hydrodynamics treatment of nonstationary thermal processes in a liquid" @default.
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- W2070290762 doi "https://doi.org/10.1103/physreve.70.061206" @default.
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