Rafael Delgado-Buscalioni et al 2008 J. Phys.: Condens. Matter 20 494229 doi:10.1088/0953-8984/20/49/494229
Rafael Delgado-Buscalioni1, Enrique Chacón2 and Pedro Tarazona1
Show affiliationsWe study the dynamics of thermally excited capillary waves (CW) at molecular scales, using molecular dynamics simulations of simple liquid slabs. The analysis is based on the Fourier modes of the liquid surface, constructed via the intrinsic sampling method (Chacón and Tarazona 2003 Phys. Rev. Lett. 91 166103). We obtain the time autocorrelation of the Fourier modes to get the frequency and damping rate Γd(q) of each mode, with wavenumber q. Continuum hydrodynamics predicts
and thus provides a dynamic measure of the q-dependent surface tension, γd(q). The dynamical estimation is much more robust than the structural prediction based on the amplitude of the Fourier mode, γs(q). Using the optimal estimation of the intrinsic surface, we obtain quantitative agreement between the structural and dynamic pictures. Quite surprisingly, the hydrodynamic prediction for CW remains valid up to wavelengths of about four molecular diameters. Surface tension hydrodynamics break down at shorter scales, whereby a transition to a molecular diffusion regime is observed.
61.20.Ja Computer simulation of liquid structure
61.20.Ne Structure of simple liquids
68.03.Kn Dynamics (capillary waves)
Issue 49 (10 December 2008)
Received 31 July 2008, in final form 9 October 2008
Published 12 November 2008
Rafael Delgado-Buscalioni et al 2008 J. Phys.: Condens. Matter 20 494229
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