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From gas-liquid to liquid crystalline phase behavior via anisotropic attraction: A computer simulation study
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10.1063/1.2799195
/content/aip/journal/jcp/127/16/10.1063/1.2799195
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/16/10.1063/1.2799195
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Phase behavior in the plane. Top: Closed (open) diamonds represent coexisting densities obtained upon compression (expansion). Dashed lines are the scaling-law approximations used to determine the G-L critical points (squares). The solid line is the scaling relation explained in the text. Bottom: Here ; the result is shown as a reference. , , and denote isotropic (crosses and pluses), nematic (circles), and hexagonal (squares) orderings, respectively. Closed (open) symbols and crosses (pulses) correspond to compression (expansion). Solid lines are approximate phase boundaries.

Image of FIG. 2.
FIG. 2.

Top: Scaled G-L critical temperature versus; middle: scaled G-L critical density versus. Closed and open symbols do have the same meaning as in the previous figure. The dashed lines are the power law predictions of Eq. (5) with ; bottom: the above simulation data plotted in reduced form via and including corresponding theoretical curves (solid lines).

Image of FIG. 3.
FIG. 3.

Snapshot taken during a Monte Carlo simulation with 216 particles at and using .

Image of FIG. 4.
FIG. 4.

Orientation average versus for different scaled temperatures (circles: ; squares: ; diamonds: ) and . The solid (dashed) line corresponds to the approximation .

Image of FIG. 5.
FIG. 5.

Average cluster size versus for . Diamonds: ; squares: ; circles: ; triangles: . Solid lines are fitted to the respective data sets using Eq. (9) as explained in the text. Inset: versus according to the solid line fits in the main figure. Here the solid line is a second order polynomial fit.

Image of FIG. 6.
FIG. 6.

Top: Snapshot taken during a molecular dynamics simulation of 2048 Stockmayer particles with (in LJ units) at and . Cones indicate the dipole orientation. Bottom: Analogous snapshot for the present system with 2197 particles at and using .

Image of FIG. 7.
FIG. 7.

Top: Isotropic phase boundary in the plane taken from Fig. 2 in Ref. 20. Bottom: Corresponding isotropic phase boundary obtained via Eq. (9) with . The solid line is a linear fit to the symbols.

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/content/aip/journal/jcp/127/16/10.1063/1.2799195
2007-10-22
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: From gas-liquid to liquid crystalline phase behavior via anisotropic attraction: A computer simulation study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/16/10.1063/1.2799195
10.1063/1.2799195
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