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Sheared polymer glass and the question of mechanical rejuvenation
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10.1063/1.3698473
/content/aip/journal/jcp/136/12/10.1063/1.3698473
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/12/10.1063/1.3698473
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic representation (top view) of two types of dyad for atactic polystyrene (a-PS): (a) meso (isotactic) dyad, and (b) racemic (syndiotactic) dyad. A is the styrene backbone atom, and B is the phenyl ring group.

Image of FIG. 2.
FIG. 2.

Specific volume vs. temperature for the system. Data are from quench simulations with initial configurations at 503 K, and obtained by averaging 27–30 μs results. Vertical line is the system's glass transition temperature (Tg = 380 K).

Image of FIG. 3.
FIG. 3.

Results for the structure of a-PS. Torsion probability distributions for: (a) meso dyad; and (c) racemic dyad. The free energy landscape from torsion distribution is calculated using Eq. (2) for: (b) meso dyad (3 torsion states); and (c) racemic dyad (2 torsion states). Vertical lines show the free energy maxima which separate torsion states. Torsion states are classified based on the free energy level of the minima, as shown in (b), (d).

Image of FIG. 4.
FIG. 4.

Results for the torsion state population as a function of temperature. (a-c) meso dyad – (a) state 1, (b) state 2, (c) state 3; (d-e) racemic dyad – (d) state 1, (e) state 2. The error bars are smaller than symbol size. Vertical lines on the plot indicate Tg. Dotted lines in (c) and (e) are the linear fits for the data points above Tg.

Image of FIG. 5.
FIG. 5.

Shear stress (in the direction of shear) vs. strain for different strain rates (103–107 s−1; color coded). Vertical line is 10% strain.

Image of FIG. 6.
FIG. 6.

(a) Shear stress (in the direction of shear) vs. strain curve for two strain rates – 103 s−1 (orange), and 107 s−1 (blue). (b-f) Torsion state population as a function of shear strain up to 75%: (b-d) meso dyad – (b) state 1, (c) state 2, and (d) state 3; (e-f) racemic dyad – (e) state 1, and (f) state 2. Dotted lines are equilibrium (unsheared) results at T = 383 K.

Image of FIG. 7.
FIG. 7.

Torsion state population as a function of shear strain: (a-c) results for meso dyad – (a) state 1, (b) state 2, and (c) state 3; (d-e) results for racemic dyad – (d) state 1, and (e) state 2. Dotted lines are equilibrium (unsheared) results at T = 383 K; dashed lines are equilibrium results at T = 483 K.

Image of FIG. 8.
FIG. 8.

Torsion state population as a function of time at 300 K for sheared (red square), and unsheared (blue diamond): (a-c) results for meso dyad, (a) state 1, (b) state 2, and (c) state 3; (d-e) results for racemic dyad, (d) state 1, and (e) state 2. Dotted lines are equilibrium results at T = 383 K; dashed lines are equilibrium results at T = 483 K.

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/content/aip/journal/jcp/136/12/10.1063/1.3698473
2012-03-30
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Sheared polymer glass and the question of mechanical rejuvenation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/12/10.1063/1.3698473
10.1063/1.3698473
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