Molecular layers in thin supported films exhibit the same scaling as the bulk between slow relaxation and vibrational dynamics
arXiv:1810.10594 · doi:10.1039/C8SM01891J
Abstract
We perform molecular dynamics simulations of a supported molecular thin film. By varying thickness and temperature, we observe anisotropic mobility as well as strong gradients of both the vibrational motion and the structural relaxation through film layers with monomer size thickness. We show that the gradients of the fast and the slow dynamics across the layers (except the adherent layer to the substrate) comply, without any adjustment, with the same scaling between the structural relaxation time and the Debye Waller factor originally observed in the bulk [Larini et al., Nat. Phys., 2008, 4, 42]. The scaling is not observed if the average dynamics of the film is inspected. Our results suggest that the solidification process of each layer may be tracked by knowing solely the vibrational properties of the layer and the bulk.
arXiv commentaccepted on Soft Matter
References in corpus (5)
- Universal divergenceless scaling between structural relaxation and caged dynamics in glass-forming systems
- Thermodynamic scaling of vibrational dynamics and relaxation
- Scaling between structural relaxation and caged dynamics in Ca_{0.4}K_0.6(NO_{3})_{1.4} and glycerol: free volume, time scales and implications for the pressure-energy correlations
- Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers
- Assessment of elastic models in supercooled water: A molecular dynamics study with the TIP4P/2005f force field
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