Biomedical subjects

Di Leonardo R

Publications and source records attributed to Di Leonardo R.

4 recordsLinked to original sources

PubMed2000

Saddles in the energy landscape probed by supercooled liquids.

We numerically investigate the supercooled dynamics of two simple model liquids exploiting the partition of the multidimensional configuration space in basins of attraction of the stationary points (inherent saddles) of the potential energy surface. We find that the inherent saddle order and potential energy are well-defined functions of the temperature T. Moreover, by decreasing T, the saddle order vanishes at the same temperature (T(MCT)) where the inverse diffusivity appears to diverge as a power law. This allows a topological interpretation of T(MCT): it marks the transition from a dynamics between basins of saddles (T > T(MCT)) to a dynamics between basins of minima (T < T(MCT)).

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PubMed2000

Relaxation processes in harmonic glasses?

A relaxation process, with the associated phenomenology of sound attenuation and sound velocity dispersion, is found in a simulated harmonic Lennard-Jones glass. We propose to identify this process with the so-called microscopic (or, instantaneous) relaxation process observed in real glasses and supercooled liquids. A model based on the memory function approach accounts for the observation and allows one to relate to each other (1) the characteristic time and strength of this process, (2) the low frequency limit of the dynamic structure factor of the glass, and (3) the high frequency sound attenuation coefficient, with its observed quadratic dependence on the momentum transfer.

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PubMed2000

Molecular dynamics simulation of the fragile glass-former orthoterphenyl: A flexible molecule model

We present a realistic model of the fragile glass-former orthoterphenyl and the results of extensive molecular dynamics simulations in which we investigated its basic static and dynamic properties. In this model the internal molecular interactions between the three rigid phenyl rings are described by a set of force constants, including harmonic and anharmonic terms; the interactions among different molecules are described by Lennard-Jones site-site potentials. Self-diffusion properties are discussed in detail together with the temperature and momentum dependencies of the self-intermediate scattering function. The simulation data are compared with existing experimental results and with the main predictions of the mode-coupling theory.

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PubMed2000

Intramolecular origin of the fast relaxations observed in the brillouin light scattering spectra of molecular glass formers

The Brillouin light scattering spectra of the o-terphenyl single crystal are compared with those of the liquid and the glass phases. This shows (i) the direct evidence of a fast relaxation at frequencies nu approximately 5 GHz in both the single crystal and the glass; (ii) a similar temperature dependence for the attenuation of the longitudinal sound waves in the single crystal and the glass; and (iii) the absence of coupling between the fast relaxation and the transverse acoustic waves. These results allow us to assign such a relaxation to the coupling between the longitudinal acoustic waves and intramolecular vibrations, and therefore to exclude any relationship between it and the glass transition.

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