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Properties of the H-bond network for two-dimensional lattice water model
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10.1063/1.1940030
/content/aip/journal/jcp/122/24/10.1063/1.1940030
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/24/10.1063/1.1940030

Figures

Image of FIG. 1.
FIG. 1.

Six ways of arranging the protons (solid circles) of a “flat” water molecule at fixed orientation of active ends.

Image of FIG. 2.
FIG. 2.

Specification of the state of a molecule at the site: (a) , ; (b) , .

Image of FIG. 3.
FIG. 3.

4-, 5-, 9- and 13-particle clusters on a square lattice.

Image of FIG. 4.
FIG. 4.

Clusters–cube and clusters–irregular tetrahedra on a simple cubic and bcc lattice, correspondingly.

Image of FIG. 5.
FIG. 5.

The choice of the quasiactivities of the links in the CQL method . The black circles correspond to the states with , the white to .

Image of FIG. 6.
FIG. 6.

The temperature dependence of the heat capacity in the approximation of the noncorrelated quasiactivities of the links for (solid line), (dashed line), and (dotted line).

Image of FIG. 7.
FIG. 7.

The temperature dependence of the fraction of molecules [see (39)] that are deviated on small angles in the approximation of the noncorrelated quasiactivities of the links for (solid line), (dashed line), and (dotted line).

Image of FIG. 8.
FIG. 8.

The temperature dependence of the average number of H bonds per molecule [see (43)] in the approximation of the noncorrelated quasiactlivites of the links for (solid line), (dashed line), and (dotted line).

Image of FIG. 9.
FIG. 9.

The temperature dependence of the parameter in the approximation of the noncorrelated quasiactivities of the links for (solid line), (dashed line), and (dotted line).

Image of FIG. 10.
FIG. 10.

The temperature dependence of the parameter in the approximation of the noncorrelated quasiactivities of the links for (solid line), (dashed line), and (dotted line).

Image of FIG. 11.
FIG. 11.

The illustration to the calculation of the probability . The black (a) and white (b) circles denote molecules, in which angles of rotation by the absolute value do not (a) or do (b) exceed the quantity , correspondingly.

Tables

Generic image for table
Table I.

The dependence of the temperatures of the instability (spinodal) and , equilibrium phase transition , and the heat of transition on the interaction parameter . , NCQL; , DVA; , NCQL; , CQL; , DVA.

Generic image for table
Table II.

The comparison of the quasiactivities of links and the variational parameter at and .

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/content/aip/journal/jcp/122/24/10.1063/1.1940030
2005-06-29
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Properties of the H-bond network for two-dimensional lattice water model
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/24/10.1063/1.1940030
10.1063/1.1940030
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