Emilia La Nave

H Eugene Stanley3
Francis W Starr2
3H Eugene Stanley
2Francis W Starr
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We calculate the configurational entropy S conf for the SPC/E model of water for state points covering a large region of the (T, ρ) plane. We find that (i) the (T, ρ) dependence of S conf correlates with the diffusion constant and (ii) that the line of maxima in S conf tracks the line of density maxima. Our simulation data indicate that the dynamics are(More)
We present a numerical analysis for SiO (2) of the fraction of diffusive direction f(diff) for temperatures T on both sides of the fragile-to-strong crossover. The T dependence of f(diff) clearly reveals this change in dynamical behavior. We find that for T above the crossover (fragile region) the system is always close to ridges of the potential energy(More)
We review recent results on the connection between thermodynamics and dynamics in a model for water. We verify the Adam-Gibbs relation between entropy and dynamic properties using computer simulations, which allow direct access to the relevant properties. We combine experimental measurements of entropy with the Adam-Gibbs hypothesis to predict dynamic(More)
We employ the distance matrix method to investigate metabasin dynamics in supercooled water. We find that the motion of the system consists in the exploration of a finite region of configuration space (enclosing several distinct local minima), named metabasin, followed by a sharp crossing to a different metabasin. The characteristic time between metabasin(More)
We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard-Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the particle dynamics. We show that the diffusion coefficient D can be estimated as a sum over contributions of the sampled(More)
We discuss features of simple inter-particle potentials which are able to generate low-packing fraction arrested states, i.e. gels, in the absence of a macroscopic phase separation phenomenon. We suggest that the ratio between surface and bulk free energy is crucial in favoring ideal gel states. Two possible models for gels, one based on the competition of(More)
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