Breakdown of excess entropy scaling for systems with thermodynamic anomalies.

@article{Fomin2010BreakdownOE,
  title={Breakdown of excess entropy scaling for systems with thermodynamic anomalies.},
  author={Yu D Fomin and V. N. Ryzhov and Nadezhda Gribova},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2010},
  volume={81 6 Pt 1},
  pages={
          061201
        }
}
  • Y. Fomin, V. Ryzhov, N. Gribova
  • Published 31 December 2009
  • Mathematics, Medicine, Physics
  • Physical review. E, Statistical, nonlinear, and soft matter physics
This paper presents a simulation study of the applicability of the Rosenfeld entropy scaling to the systems which cannot be approximated by the effective hard spheres. Three systems are studied: the Herzian spheres, the Gauss core model, and a soft repulsive shoulder potential. These systems demonstrate diffusion anomalies at low temperatures: the diffusion coefficient increases with increasing density or pressure. It is shown that for the first two systems belonging to a class of bounded… 
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References

SHOWING 1-10 OF 120 REFERENCES
A quasi-universal scaling law for atomic transport in simple fluids
A semi-empirical `universal' corresponding-states relationship, for the dimensionless transport coefficients of dense fluids as functions of the reduced configurational entropy, was proposed more
Relation between the transport coefficients and the internal entropy of simple systems
The transport coefficients of hard-sphere, soft-sphere, Lennard-Jones, and one-component-plasma systems are expressed in terms of the corresponding internal entropies, to reveal some universal
Excess-entropy-based anomalies for a waterlike fluid.
TLDR
The authors show how entropy scaling relationships developed by Rosenfeld can be used to describe the region of diffusivity anomalies and to predict the state conditions for which anomalous viscosity and thermal conductivity behavior might be found.
CORE-SOFTENED POTENTIALS AND THE ANOMALOUS PROPERTIES OF WATER
We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger
Waterlike thermodynamic anomalies in a repulsive-shoulder potential system.
TLDR
A computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive-shoulder potential shows that at certain values of the potential parameters the system exhibits the waterlike thermodynamic anomalies: a density anomaly and a diffusion anomaly.
Waterlike hierarchy of anomalies in a continuous spherical shouldered potential.
TLDR
A continuous isotropic core-softened potential with attractive well in three dimensions that displays liquid-liquid coexistence with a critical point and waterlike density anomaly is investigated, and anomalies, not observed in the discrete version of this model, occur with the same hierarchy that characterizes water.
Static and dynamic anomalies in the Gaussian core model liquid
Abstract We investigated static and dynamic liquid-state anomalies of a single-component system interacting via a Gaussian core potential. Anomalies are produced due to the fact that the potential is
Diffusivity, excess entropy, and the potential-energy landscape of monatomic liquids.
TLDR
The diffusivity is shown to depend linearly on several key properties of instantaneous and saddle configurations-the energy, the fraction of negative curvature directions, and the mean, maximum, and minimum eigenvalues of the Hessian.
Which mechanism underlies the water-like anomalies in core-softened potentials?
Using molecular dynamics simulations we investigate the thermodynamics of particles interacting with continuous and discrete versions of a core-softened (CS) intermolecular potential composed by a
Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force.
We study the phase behavior of a classical system of particles interacting through a strictly convex soft-repulsive potential which, at variance with the pairwise softened repulsions considered so
...
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