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Sphere-forming diblock copolymers in slit confinement: A dynamic density functional theory study
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10.1063/1.3141985
/content/aip/journal/jcp/130/21/10.1063/1.3141985
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3141985
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Bulk isodensity profile for diblock copolymer melts at . In the following figures, we use the same unit for and will neglect it. The simulation time is 20 000 time steps in all cases.

Image of FIG. 2.
FIG. 2.

The laterally averaged density times , , as function of the for diblock copolymer melts at .

Image of FIG. 3.
FIG. 3.

(a) Three-dimensional isodensity profile for diblock copolymer film with at , 4.9, 6.4, 9, 20, and 38. The simulation time is 20 000 time steps in all cases. The symbols present the phases in one surface layer. Solid and solid inverse triangles represent the parallel cylinder and the perpendicular cylinder, respectively; solid, hollow, and gray boxes represent the lamella, the perforated lamella, and the wetting layer, respectively, while solid sphere represents the spherical phase. The left triangle with a point inside indicates that spheres and parallel cylinders coexist in the surface layer and the proportion of parallel cylinders is larger. The box with a point inside indicates that the perforated lamella and parallel cylinders coexist in the surface layer and the proportion of perforated lamella is larger. (b) Isodensity profile of surface layer for diblock copolymer film with at and 6.4 as a top view of that in (a). (c) Isodensity profile at and 38 as a side view of that in (a).

Image of FIG. 4.
FIG. 4.

Three-dimensional isodensity profile for diblock copolymer film with at , 5.2, 6.2, 8, 12, and 16. The definition of symbols is the same as those in Fig. 3(a). The simulation time is 20 000 time steps in all cases.

Image of FIG. 5.
FIG. 5.

Three-dimensional isodensity profile for diblock copolymer film with at , 5.5, 7.5, 14, 19, 26, and 38. The definition of symbols is the same as those in Fig. 3(a). The simulation time is 20 000 time steps in all cases.

Image of FIG. 6.
FIG. 6.

Phase diagram of surface reconstructions, i.e., film thickness vs surface field strength . The circle with a point inside indicates that spheres and parallel cylinders coexist in the surface layer and the proportion of spheres is larger. The inverse triangle with a point inside indicates that spheres and perpendicular cylinders coexist in the surface layer and the proportion of perpendicular cylinders is larger. The right triangle with a point inside indicates that the perforated lamella and parallel cylinders coexist in the surface layer and the proportion of parallel cylinders is larger. The definition of other symbols is the same as those in Fig. 3(a). Boundary lines have been drawn to guide the eyes. The simulation time is 20 000 time steps at points near phase boundary for stability and 4000 time steps at other points.

Image of FIG. 7.
FIG. 7.

Isodensity profile of coexistence of spheres and parallel cylinders for diblock copolymer film with and . The simulation time is 20 000 time steps.

Image of FIG. 8.
FIG. 8.

Top view of isodensity profile of -beads at different time steps with and .

Image of FIG. 9.
FIG. 9.

Top view of isodensity profile of -beads at different time steps with and . We switch from 19 to 20 at 20 000 time steps.

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/content/aip/journal/jcp/130/21/10.1063/1.3141985
2009-06-01
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Sphere-forming diblock copolymers in slit confinement: A dynamic density functional theory study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3141985
10.1063/1.3141985
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