Lesnicki, D;
Vuilleumier, R;
Carof, A;
Rotenberg, B;
(2016)
Molecular hydrodynamics from memory kernels.
Physical Review Letters
, 116
(14)
, Article 147804. 10.1103/PhysRevLett.116.147804.
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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, which is at odds with incompressible hydrodynamics predictions. Lastly, we discuss the various contributions to the friction, the associated time scales, and the crossover between the molecular and hydrodynamic regimes upon increasing the solute radius.
| Type: | Article |
|---|---|
| Title: | Molecular hydrodynamics from memory kernels |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.116.147804 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.116.147804 |
| Language: | English |
| Additional information: | Copyright © 2016 American Physical Society. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1495076 |
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