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Excess-entropy-based anomalies for a waterlike fluid
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10.1063/1.2409932
/content/aip/journal/jcp/125/24/10.1063/1.2409932
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/24/10.1063/1.2409932
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic of the regions wherein structural, diffusivity, and density anomalies are found within the temperature-density (bottom panel) and pressure-temperature (top panel) planes. Structural, diffusivity, and density anomalies are found within the outermost, intermediate, and innermost envelopes, respectively. Regions of anomalous diffusivity and density behavior appear as nested domes within the structurally anomalous envelope. The behavior depicted here is consistent with simulation results obtained with the SPC/E water model (Ref. 2) and the core-softened Jagla model (Ref. 11).

Image of FIG. 2.
FIG. 2.

The two-body excess entropy and the total excess entropy as a function of density at .

Image of FIG. 3.
FIG. 3.

Density dependence of (top panel) and (bottom panel) along a series of isotherms. Curves from bottom to top are for , 0.05, 0.06, 0.08, 0.10, and 0.12.

Image of FIG. 4.
FIG. 4.

Strength of the excess entropy anomaly based upon and as a function of density at . The horizontal lines indicate the value must reach for one to observe anomalous behavior in the denoted property.

Image of FIG. 5.
FIG. 5.

Boundaries of anomalous regions within the plane based on (top panel) and (bottom panel). The outer and inner solid lines represent the excess entropy and density, respectively. The dashed lines denote transport anomalies, with the outermost, intermediate, and innermost envelopes corresponding to diffusivity, viscosity, and thermal conductivity, respectively. The asterisk and cross symbols denote the boundary of the simulated diffusivity and density anomalies, respectively, obtained through molecular dynamics simulations performed by Yan et al.

Image of FIG. 6.
FIG. 6.

Boundaries of anomalous regions within the plane based on (top panel) and (bottom panel). The symbols are the same as for Fig. 5.

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/content/aip/journal/jcp/125/24/10.1063/1.2409932
2006-12-22
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Excess-entropy-based anomalies for a waterlike fluid
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/24/10.1063/1.2409932
10.1063/1.2409932
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