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Molecular hydrodynamics from memory kernels | | Dominika Lesnicki
; Rodolphe Vuilleumier
; Antoine Carof
; Benjamin Rotenberg
; | | Date: |
10 May 2016 | | Abstract: | The memory kernel for a tagged particle in a fluid, computed from molecular
dynamics simulations, decays algebraically as $t^{-3/2}$. We show how the
hydrodynamic Basset-Boussinesq force naturally emerges from this long-time tail
and generalize the concept of hydrodynamic added mass. This mass term is
negative in the present case of a molecular solute, at odds with incompressible
hydrodynamics predictions. We finally discuss the various contributions to the
friction, the associated time scales and the cross-over between the molecular
and hydrodynamic regimes upon increasing the solute radius. | | Source: | arXiv, 1605.3075 | | Services: | Forum | Review | PDF | Favorites | |
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