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 distances. The phase diagram (obtained numerically, and analytically in a limiting case) shows anomalous properties that are similar to those observed in water. Specifically, we find maxima of density and isothermal compressibility as a function of temperature, melting with volume contraction, and multiple stable crystalline structures. If in addition a long range attraction between the particles is included, the usual liquid-gas coexistence curve with its critical point is obtained. But more interestingly, a first order line in the metastable fluid branch of the phase diagram appears, ending in a new critical point, as it was suggested to occur in water. In this way the model provides a comprehensive, consistent and unified picture of most of the anomalous thermodynamical properties of water, showing that all of them can be qualitatively explained by the existence of two competing equilibrium values for the interparticle distance.
The pressure-temperature phase diagram of a one-component system, with
particles interacting through a spherically symmetric pair potential in two
dimensions is studied. The interaction consists of a hard core plus an
additional repulsion at low energies. It is shown that at zero temperature,
instead of the expected isostructural transition due to core collapse occurring
when increasing pressure, the system passes through a series of ground states
that are not triangular lattices. In particular, and depending on parameters,
structures with squares, chains, hexagons and even quasicrystalline ground
states are found. At finite temperatures the solid-fluid coexistence line
presents a zone with negative slope (which implies melting with decreasing in
volume) and the fluid phase has a temperature of maximum density, similar to
that in water.Comment: 11 pages, 15 figures included. To appear in PRE. Some figures in low
quality format. Better ones available upon request from jagla@cab.cnea.edu.a
Geometrical arrangements of minimum energy of a system of identical repelling
particles in two dimensions are studied for different forms of the interaction
potential. Stability conditions for the triangular structure are derived, and
some potentials not satisfying them are discussed. It is shown that in addition
to the triangular lattice, other structures may appear (some of them with
non-trivial unit cells, and non-equivalent positions of the particles) even for
simple choices of the interaction. The same qualitative behavior is expected in
three dimensions.Comment: 6 pages, 6 figures include
Elastoplastic models are analyzed at the yielding transition. Universality and critical exponents are discussed. The flowcurve exponent happens to be sensitive to the local yielding rule. An alternative mean-field description of yielding is explained.
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