1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers
Rent:
Rent this article for
USD
10.1063/1.4729159
/content/aip/journal/jcp/136/23/10.1063/1.4729159
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/23/10.1063/1.4729159

Figures

Image of FIG. 1.
FIG. 1.

Phase diagram from SCFT for blends s1 (top), s2 (middle), and s3 (bottom) as described in Table I. Blue = cylinders, green = gyroid, red = lamellar, black = disordered.

Image of FIG. 2.
FIG. 2.

Phase diagram at constant temperature (χN s 1 = 15). The solid black lines mark the phase boundaries obtained by Court and Hashimoto.13

Image of FIG. 3.
FIG. 3.

Morphologies obtained χN = 35 for various blend compositions φ A and at various box lengths. For clarity, only the interfaces between block domains are shown.

Image of FIG. 4.
FIG. 4.

Variation of free energies of the woodpile and cylinder phases with box size at blend composition φ A = 0.1833. The error bars give the standard deviation of the data.

Image of FIG. 5.
FIG. 5.

Structure factor of each of the (a) gyroid for L box = 19.5, φ A = 0.2250, (b) cylinders for L box = 19, φ A = 0.2250, and (c) cocontinuous phase for L box = 25, φ A = 0.2267.

Image of FIG. 6.
FIG. 6.

Order parameter Q as a function of box size for the gyroid, cylinders and cocontinuous morphologies for blend compositions 0.2250 ≤ φ A ≤ 0.2300; χN = 35.

Image of FIG. 7.
FIG. 7.

Variation of free energy with box size for different morphologies for blend composition φ A = 0.230 and χN = 35: (a) from MC-EXE method and (b) from TI method (showing free-energy difference relative to the χN = 0 system).

Image of FIG. 8.
FIG. 8.

Free energies of the gyroid and cocontinuous phases relative to that of the cylinder phase for various blends at (a) χN = 40, (b) χN = 35.

Image of FIG. 9.
FIG. 9.

End-to-end distances for B block of asymmetric chains as.

Image of FIG. 10.
FIG. 10.

Local density of the majority domain. Red portions indicate regions of the minority domain. Green (low density) pockets in the “bulk” of the blue domain evidence packing frustration. (a) Gyroid phase for L box = 19.5, φ A = 0.2250, (b) cocontinuous phase for Lbox = 25, φ A = 0.2267, and (c) cylinder phase for Lbox = 19, φ A = 0.2250.

Image of FIG. 11.
FIG. 11.

Isosurfaces of A-block fraction = 0.5 for the gyroid phase with L box = 19.5, φ A = 0.2250: grey surface represents overall A-monomers in the blend, green mesh for symmetric chains, and red mesh for asymmetric chains. (a) Density calculated as the number of symmetric chain A beads over total number of beads. Points 1 and 2 show nodes that the symmetric chains occupy, 3 is a node which such chains do not occupy, and 4 refers to a tube of the that such chains occupy. (b) Density calculated as number of A beads of all chains over total number of beads.

Tables

Generic image for table
Table I.

Chain lengths used in the SCFT study. N is the “relative” degree of polymerization and f is the fraction of monomer A in each component.

Generic image for table
Table II.

Morphologies obtained using DPD by varying χN for blend compositions 0.2233 ≤ φ A ≤ 0.2300. “Def” refers to morphologies with defects, C = cylinders, G = gyroid, PL = perforated lamella, and Cocon. = concontinuous phase.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/23/10.1063/1.4729159
2012-06-19
2014-04-16
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/23/10.1063/1.4729159
10.1063/1.4729159
SEARCH_EXPAND_ITEM