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Simulated annealing study of asymmetric diblock copolymer thin films
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10.1063/1.2194537
    + View Affiliations - Hide Affiliations
    Affiliations:
    1 College of Physics, Nankai University, Tianjin, 300071, People’s Republic of China
    2 Key Laboratory of Functional Polymer Materials, College of Chemistry, Nankai University, Tianjin, 300071, People’s Republic of China
    3 College of Physics, Nankai University, Tianjin, 300071, People’s Republic of China
    4 Department of Materials Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, People’s Republic of China
    5 College of Physics, Nankai University, Tianjin, 300071, People’s Republic of China
    6 College of Physics, Nankai University, Tianjin, 300071, People’s Republic of China and Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1, Canada
    a) Author to whom correspondence should be addressed. Fax: +86-22-23494422. Electronic mail: baohui@nankai.edu.cn
    b) Author to whom correspondence should be addressed. Fax: +86-22-23494422. Electronic mail: shi@mcmaster.ca
    J. Chem. Phys. 124, 184708 (2006); http://dx.doi.org/10.1063/1.2194537
/content/aip/journal/jcp/124/18/10.1063/1.2194537
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/18/10.1063/1.2194537

Figures

Image of FIG. 1.
FIG. 1.

(a) Snapshot of gyroid phase formed in our simulation with the box size of . (b) The projection of Fig. 1(a) along the 111 axis. This image was obtained with periodic replication of the simulation volume along axis, axis, and axis, so that eight copies of the unit cube are present.

Image of FIG. 2.
FIG. 2.

Snapshot formed between two neutral surfaces; only monomers are shown. (a) ; (b) ; (c) ; (d) ; (e) ; (f) ; (g) ; (h) ; and (i) . In this and the following figures, images were obtained by periodic replication of the simulation volume along axis and axis, so that four copies of the same structure are present.

Image of FIG. 3.
FIG. 3.

Hybrid morphologies formed between neutral surfaces. (a) , (b) , and (c) ; left: outward appearance: dark; monomers; light: monomers; right: isosurface contour of the monomers.

Image of FIG. 4.
FIG. 4.

The density distribution of the short block along directions perpendicular to the surfaces in the surfaces with .

Image of FIG. 5.
FIG. 5.

Representative snapshots of morphologies observed between two surfaces strongly attractive to monomers with different film thickness; dark: monomers; light: monomers. (a) at ; (b) at ; (c) at ; (d) at ; (e) at ; (f) at ; (g) at ; (h) at ; (i) at . Left: outward appearance; right: only monomers are shown in the interior of the film.

Image of FIG. 6.
FIG. 6.

Order parameter profiles of the morphologies shown in Fig. 5.

Image of FIG. 7.
FIG. 7.

Complex morphologies between surfaces weakly attractive to monomers. (a) at ; (b) at ; (c) at ; (d) at ; (e) at ; left: outward appearance; dark: monomers; light: monomers; right: isosurface contour of the monomers.

Image of FIG. 8.
FIG. 8.

Surface-induced lamellar morphology between surfaces weakly attractive to monomers: (a) ; (b) .

Tables

Generic image for table
Table I.

Summary of the morphologies observed in our simulations of asymmetric diblock copolymer confined between two identical and parallel surfaces. denotes one lamella having a planar interface parallel to the surfaces; denotes perpendicular lamellae; denotes one layer of perforated lamellae of blocks (with -rich holes) parallel to the surfaces; denotes perpendicular perforated lamellae; denotes the cylinders of blocks parallel to the surfaces, denotes one layer of half-cylinders parallel to the surfaces (observed near the surfaces).

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/content/aip/journal/jcp/124/18/10.1063/1.2194537
2006-05-10
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Simulated annealing study of asymmetric diblock copolymer thin films
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/18/10.1063/1.2194537
10.1063/1.2194537
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