Mesodyn simulation of a block copolymer film in a simulation box, with film thickness , interaction parameter , surface field , and periodic boundary conditions. The surfaces are located at the top and the bottom of the simulation box. (a) Density distribution of the component after 1600 time steps. Dark corresponds to a high density. (b) Corresponding isodensity surface for a threshold value . The enclosed volume corresponds to the volume fraction of the component. (c) Isodensity surface for .
(Color online) Illustration of our data reduction and visualization technique. (a) A small piece of isodensity surface displaying a branching cylinder. (b) Medial axis obtained by applying the thinning algorithm of Tsao and Fu. (Ref. 37). (c) Visualization of the data shown in (b) as a stick and ball model. Kinks reflect the discrete points of the medial axis. Balls mark branching points with the color coding of the number of branches. (d) Same as (c) after removal of artifacts, such as clusters of balls. (e) Same as (d) with the branches approximated by a cubic smoothing spline.
(Color) Reduced representation of the network of cylinders in a thin film of block copolymers, calculated from an isosurface with threshold value for 15 000 time steps. The thin lines do not obstruct the view into the simulation box. The complex 3D network structure is much better perceivable in the anaglyph movie 1 (see supplementary data, Ref. 39). Three different structures are visible in the simulation box: in the upper third hexagonally orderd cylinders (C), in the middle a gyroid like network (G), and in the lower third layers of perforated lamellae (PL). Our visualization technique allows us to see and follow the 3D dynamics of the network. A characteristic detail of the structure at the cylinder-to-gyroid boundary is marked with thick lines and displayed in Fig. 4(a) along with its further dynamics.
(Color) (a) Sequence of microdomain structures during the gyroid-to-cylinder transition observed in this work. The corresponding time steps are displayed in the figure. The arrow marks a moving connection, the scissors mark a breaking connection. (b) Sequence of structures during the cylinder-to-gyroid transition predicted by Matsen (Ref. 29). The color coding of branching points is the same as in Fig. 3. Adopted from Ref. 29; ©1998 American Physical Society).
(Color online) [(a)–(e)] Snapshots of movie 2 (see supplementary data, Ref. 39) showing the dynamics of the density in the plane defined by the thick black lines shown in Figs. 3 and 4(a). Light (dark) green corresponds to a low (high) density. In addition the isodensity surfaces (gray) are shown.
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