Frustration and anomalous behavior in the Bell-Lavis model of liquid water

Barbosa, Marco Aurélio A.; Henriques, Vera B.

doi:10.1103/physreve.77.051204

Cited by 22 publications

(48 citation statements)

References 60 publications

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“…We believe that the tricritical point is around µ/ǫ H = 1.47. The tricritical points of this model were already found at ξ = 0.1 and 0.25 30,31 . The location of the tricritical point and behavior of the BL model at ξ = 0 at the disorderedto-HON boundary, in general, is analogous to that of the AFM BC model 36,37 at the same boundary.…”

Section: Resultsmentioning

confidence: 73%

“…Thus, though the properties and resulting phase diagrams might have some similarities, there are some important differences between the BEG and BL models (see Ref. 30 for more detail).…”

Section: Introductionmentioning

confidence: 99%

“…It was shown 30,33 that the BL model can be mapped into the AFM BEG model if an anisotropic interaction is added to the BEG model Hamiltonian. Thus, though the properties and resulting phase diagrams might have some similarities, there are some important differences between the BEG and BL models (see Ref.…”

Section: Introductionmentioning

confidence: 99%

“…The thermodynamic properties of the BL model were studied in some detail using mean-field 29 , renormalization group 33 , cluster variation 34 , recursive approach to the Bethe lattice 30 and Monte Carlo 20,31,35 methods. It was shown 30,33 that the BL model can be mapped into the AFM BEG model if an anisotropic interaction is added to the BEG model Hamiltonian.…”

Section: Introductionmentioning

confidence: 99%

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Phase transition properties of the Bell-Lavis model

2014

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Using Monte Carlo calculations we analyze the order and the universality class of phase transitions into a low density (honeycomb) phase of a triangular antiferromagnetic three-state Bell-Lavis model. The results are obtained in a whole interval of chemical potential µ corresponding to the honeycomb phase. Our results demonstrate that the phase transitions might be attributed to the three-state Potts universality class for all µ values except for the edges of the honeycomb phase existence. At the honeycomb phase and the low density gas phase boundary the transitions become of the first order. At another, honeycomb-to-frustrated phase boundary, we observe the approach to the crossover from the three-state Potts to the Ising model universality class. We also obtain the Schottky anomaly in the specific heat close to this edge. We show that the intermediate planar phase, found in a very similar antiferromagnetic triangular Blume-Capel model, does not occur in the Bell-Lavis model.

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Section: Resultsmentioning

confidence: 73%

“…Thus, though the properties and resulting phase diagrams might have some similarities, there are some important differences between the BEG and BL models (see Ref. 30 for more detail).…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Phase transition properties of the Bell-Lavis model

2014

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“…For ζ < 1/3, besides the gas phase, the model exhibits two liquid phases with different structures. AtT = 0, coexistence between a gas and a structured liquid of low density (SL) and coexistence between the structured low-density liquid and the nonstructured high-density liquid are present [32]. However, for finite temperatures, the transition between the two liquids becomes critical, as shown from detailed systematic analysis of simulational data [25].…”

Section: The Bell-lavis Model As Solventmentioning

confidence: 98%

Hydration and anomalous solubility of the Bell-Lavis model as solvent

et al. 2012

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We address the investigation of the solvation properties of the minimal orientational model for water originally proposed by [Bell and Lavis, J. Phys. A 3, 568 (1970)]. The model presents two liquid phases separated by a critical line. The difference between the two phases is the presence of structure in the liquid of lower density, described through the orientational order of particles. We have considered the effect of a small concentration of inert solute on the solvent thermodynamic phases. Solute stabilizes the structure of solvent by the organization of solvent particles around solute particles at low temperatures. Thus, even at very high densities, the solution presents clusters of structured water particles surrounding solute inert particles, in a region in which pure solvent would be free of structure. Solute intercalates with solvent, a feature which has been suggested by experimental and atomistic simulation data. Examination of solute solubility has yielded a minimum in that property, which may be associated with the minimum found for noble gases. We have obtained a line of minimum solubility (TmS) across the phase diagram, accompanying the line of maximum density. This coincidence is easily explained for noninteracting solute and it is in agreement with earlier results in the literature. We give a simple argument which suggests that interacting solute would dislocate TmS to higher temperatures.

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Polymorphism in Lattice Models

Szortyka

Girardi

Fiore

et al. 2013

Liquid Polymorphism

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The most familiar anomaly is its increasing density with temperature, at ambient pressure, up to 4 o C. Above this temperature water behaves as a normal liquid and density decreases as temperature rises. Experiments for water allow to locate the line of temperatures of maximum density (TMD) in the pressure-temperature plane. Below TMD density decreases with decreasing temperature, differently from the behavior of the majority of fluids, for which density increases on lowering temperature 1 .Besides a number of thermodynamic and dynamic anomalies water exhibits many solid phases due to strucural and symmetry changes. Several coexistence lines separate the multiple solid phases. Thus, the energy landscape associated to the crystalline phases presents a number of sharp valleys with very low energies. The temperature and pressure ranges at which each one of these sharp valleys displays lowest energy values define the stable phase in that region of the phase diagram. Those valleys of the energy landscape that never achieve the lowest energy correspond to the amorphous configurations. Therefore it is reasonable to think that multiple amorphous phases are present. Even though the existence of water amorphous phases has been known since 1935 2 , the identification of two amorphous phases, one of lower density (LDA), the other of higher density (HDA) 3,4 , as well as the suggestion

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Frustration and anomalous behavior in the Bell-Lavis model of liquid water

Cited by 22 publications

References 60 publications

Phase transition properties of the Bell-Lavis model

Phase transition properties of the Bell-Lavis model

Hydration and anomalous solubility of the Bell-Lavis model as solvent

Polymorphism in Lattice Models

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