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Dynamic Monte Carlo simulations of double crystallization accelerated in microdomains of diblock copolymers
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10.1063/1.3693519
/content/aip/journal/jcp/136/10/10.1063/1.3693519
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/10/10.1063/1.3693519
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Snapshot of the symmetric diblock copolymer system with the lamellar microdomains generated by microphase separation in a cooling process till to T = 4.2, as described in the text. The bonds of two species (drawn as small cylinders) are colored with blue and yellow, respectively.

Image of FIG. 2.
FIG. 2.

Time-evolution curves of C1 crystallinity in the first stage of temperature quenching with E f /E c = 0 (allowing chain-sliding diffusion) upon isothermal crystallization at various high temperatures denoted nearby.

Image of FIG. 3.
FIG. 3.

Snapshots on the XZ planes of the symmetric diblock copolymer systems with E f /E c = 0 after isothermal crystallization for a period of 300 000 Monte Carlo cycles at (a) T = 4.1, (b) T = 4.0, (c) T = 3.8, and (d) T = 3.6. The bonds of two species (drawn as small cylinders) are colored with blue for C1 and yellow for C2, respectively.

Image of FIG. 4.
FIG. 4.

Time-evolution curves of C2 crystallinity with E f /E c = 0 upon isothermal crystallization at the same low temperatures T = 2.2 for the samples made by isothermal crystallization at various high temperatures denoted nearby.

Image of FIG. 5.
FIG. 5.

Snapshots on the XZ planes of the symmetric diblock copolymer systems with E f /E c = 0 after isothermal crystallization for a period of 300 000 Monte Carlo cycles at T = 2.2, for the samples made in the first stage at (a) T = 4.1, (b) T = 4.0, (c) T = 3.8, and (d) T = 3.6, as shown parallel in Fig. 3. The small cylinders with the blue color stands for those bonds of block C1, and the yellow for C2.

Image of FIG. 6.
FIG. 6.

Avrami indexes (n) and kinetic constants (log10K) obtained from the isothermal crystallization process of C2 at T = 2.1 for the samples prepared at various high temperatures (shown as X-axis) in the previous stage. The error bars were obtained from several simulations of parallel systems (the same in the following figures).

Image of FIG. 7.
FIG. 7.

Time evolution curves of (a) C1 crystallinity upon isothermal crystallization at various high temperatures denoted nearby, with E f /E c = 0.3 (forbidding chain-sliding diffusion); (b) C2 crystallinity upon isothermal crystallization at the same low temperatures T = 2.6 for the samples made by isothermal crystallization at various high temperatures denoted nearby with E f /E c = 0.3.

Image of FIG. 8.
FIG. 8.

(a) Stem-length distributions in C1 crystals made at various high temperatures (as denoted) in the first stage. The stem length is defined as the number of continuously collinear-connected crystalline bonds, while each crystalline bond contains more than five parallel neighbors of the same species. The dashed line separates those longer stems made used to calculate the mean stem lengths. (b) Mean stem lengths in C1 crystals versus crystallization temperatures in the first stage for the sample systems with E f /E c = 0 (allowing chain-sliding diffusion).

Image of FIG. 9.
FIG. 9.

(a) Distributions curves for square radius of gyration of C2 blocks made at various high temperatures (as denoted) in the first stage. (b) Mean square radius of gyration of C2 blocks versus crystallization temperatures of C1 blocks in the first stage for the sample systems with E f /E c = 0 (allowing chain-sliding diffusion).

Image of FIG. 10.
FIG. 10.

(a) Stem-length distributions in C1 crystals made at various high temperatures (as denoted) in the first stage. The dashed line separates those longer stems made used to calculate the mean stem lengths. (b) Mean stem lengths in C1 crystals versus crystallization temperatures in the first stage for the sample systems with E f /E c = 0.3 (forbidding chain-sliding diffusion).

Image of FIG. 11.
FIG. 11.

(a) Distributions curves for square radius of gyration of C2 blocks made at various high temperatures (as denoted) in the first stage. (b) Mean square radius of gyration of C2 blocks versus crystallization temperatures of C1 blocks in the first stage for the sample systems with E f /E c = 0.3 (forbidding chain-sliding diffusion).

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/content/aip/journal/jcp/136/10/10.1063/1.3693519
2012-03-14
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dynamic Monte Carlo simulations of double crystallization accelerated in microdomains of diblock copolymers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/10/10.1063/1.3693519
10.1063/1.3693519
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