46 research outputs found
Comparative study of normal and branched alkane monolayer films adsorbed on a solid surface. II. Dynamics
doi:10.1063/1.2464092 (17 pages)The dynamics of monolayer films of the n-alkane tetracosane (n-C24H52) and the branched alkane squalane (C30H62) adsorbed on graphite have been studied by quasielastic and inelastic neutron scattering and molecular dynamics (MD) simulations. Both molecules have 24 carbon atoms along their carbon backbone, and squalane has an additional six methyl side groups symmetrically placed along its length. The authors' principal objective has been to determine the influence of the side groups on the dynamics of the squalane monolayer and thereby assess its potential as a nanoscale lubricant. To investigate the dynamics of these monolayers they used both the disk chopper spectrometer (DCS) and the high flux backscattering spectrometer (HFBS) at the National Institute of Standards and Technology. These instruments made it possible to study dynamical processes such as molecular diffusive motions and vibrations on very different time scales: 1-40--ps (DCS) and 0.1-4--ns (HFBS). The MD simulations were done on corresponding time scales and were used to interpret the neutron spectra. The authors found that the dynamics of the two monolayers are qualitatively similar on the respective time scales and that there are only small quantitative differences that can be understood in terms of the different masses and moments of inertia of the two molecules. In the course of this study, the authors developed a procedure to separate out the low-frequency vibrational modes in the spectra, thereby facilitating an analysis of the quasielastic scattering. They conclude that there are no major differences in the monolayer dynamics caused by intramolecular branching. It remains to be seen whether this similarity in monolayer dynamics also holds for the lubricating properties of these molecules in confined geometries.This work was supported by the U.S. National Science Foundation under Grant Nos. DMR-0109057 and DMR-0411748 and by the U.S. Department of Energy through Grant No. DE-FG02-01ER45912. The neutron scattering facilities in this work are supported in part by the National Science Foundation under Agreement No. DMR-0454672. One of the authors (A.D.E.) thanks the Oticon Foundation, Denmark for financial support
A Neutron Elastic Diffuse Scattering Study of PMN
We have performed elastic diffuse neutron scattering studies on the relaxor
Pb(MgNb)O (PMN). The measured intensity distribution near a
(100) Bragg peak in the (hk0) scattering plane assumes the shape of a butterfly
with extended intensity in the (110) and (10) directions. The
temperature dependence of the diffuse scattering shows that both the size of
the polar nanoregions (PNR) and the integrated diffuse intensity increase with
cooling even for temperatures below the Curie temperature K.Comment: Submitted to PR
Multiple-scattering effects on incoherent neutron scattering in glasses and viscous liquids
Incoherent neutron scattering experiments are simulated for simple dynamic
models: a glass (with a smooth distribution of harmonic vibrations) and a
viscous liquid (described by schematic mode-coupling equations). In most
situations multiple scattering has little influence upon spectral
distributions, but it completely distorts the wavenumber-dependent amplitudes.
This explains an anomaly observed in recent experiments
Evidence of short time dynamical correlations in simple liquids
We report a molecular dynamics (MD) study of the collective dynamics of a
simple monatomic liquid -interacting through a two body potential that mimics
that of lithium- across the liquid-glass transition. In the glassy phase we
find evidences of a fast relaxation process similar to that recently found in
Lennard-Jones glasses. The origin of this process is ascribed to the
topological disorder, i.e. to the dephasing of the different momentum
Fourier components of the actual normal modes of vibration of the disordered
structure. More important, we find that the fast relaxation persists in the
liquid phase with almost no temperature dependence of its characteristic
parameters (strength and relaxation time). We conclude, therefore, that in the
liquid phase well above the melting point, at variance with the usual
assumption of {\it un-correlated} binary collisions, the short time particles
motion is strongly {\it correlated} and can be described via a normal mode
expansion of the atomic dynamics.Comment: 7 pages, 7 .eps figs. To appear in Phys. Rev.
Inelastic X-ray scattering study of the collective dynamics in liquid sodium
Inelastic X-ray scattering data have been collected for liquid sodium at
T=390 K, i.e. slightly above the melting point. Owing to the very high
instrumental resolution, pushed up to 1.5 meV, it has been possible to
determine accurately the dynamic structure factor, , in a wide
wavevector range, nm, and to investigate on the dynamical
processes underlying the collective dynamics. A detailed analysis of the
lineshape of , similarly to other liquid metals, reveals the
co-existence of two different relaxation processes with slow and fast
characteristic timescales respectively. The present data lead to the conclusion
that: i) the picture of the relaxation mechanism based on a simple viscoelastic
model fails; ii) although the comparison with other liquid metals reveals
similar behavior, the data do not exhibit an exact scaling law as the principle
of corresponding state would predict.Comment: RevTex, 7 pages, 6 eps figures. Accepted by Phys. Rev.