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Deformation-induced accelerated dynamics in polymer glasses
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10.1063/1.3505149
/content/aip/journal/jcp/133/16/10.1063/1.3505149
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/16/10.1063/1.3505149
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Nonaffine displacements , , and (black/blue/red) for a monomer undergoing creep at . The vertical dotted lines indicate relaxations identified by our hop detection algorithm. The total strain during this time is approximately 0.8.

Image of FIG. 2.
FIG. 2.

Mean-squared displacement as a function of the number of hops that a particle has experienced for the polymer model (○) and the BMLJ model (◻) (simulation details of the BMLJ results can be found in Ref. 46). Lines have slopes of 1/2 (blue) and 1 (red). Inset shows the corresponding mean-squared displacement for both models with time.

Image of FIG. 3.
FIG. 3.

Relaxation dynamics during the creep experiment. (a) Creep compliance for (dashed) and 0.5 (dotted). Squares show the curve for chains of length 100. Distributions of (b) first hop times, (c) persistence times, and (d) displacements for the undeformed sample (solid lines), (dashed), and (dotted). In all plots (black), 7500 (red), and 75 000 (green). Circles in (c) show for (see text) and . Straight lines indicate power law with the given slopes.

Image of FIG. 4.
FIG. 4.

Strain rate vs hop rate for (○), 0.4 (◻), 0.3 (△), 0.2 (◇), and (black), 7500 (red), and 75 000 (green). Solid symbols show results for chains of length 100. Inset shows the mean hop displacement vs the strain rate for the same data.

Image of FIG. 5.
FIG. 5.

Relaxation dynamics during the constant strain rate experiment. (a) Stress vs time for (dashed) and (dotted). Inset shows stress vs strain for the same data. Distributions of (b) first hop times, (c) persistence times, and (d) displacements for the undeformed sample (solid lines) and (dashed) and (dotted). In all plots (black), 7500 (red), and 75 000 (green). Straight lines indicate power law with the given slopes.

Image of FIG. 6.
FIG. 6.

Relaxation dynamics during the strain step experiment. (a) Strain modulus vs time for (dashed) and 0.04 (dotted). Distributions of (b) first hop times, (c) persistence times, and (d) displacements for the undeformed sample (solid lines) and (dashed) and 0.04 (dotted). In all plots (black), 7500 (red), and 75 000 (green). Straight lines indicate power law with the given slopes.

Image of FIG. 7.
FIG. 7.

Cumulative probability distribution of the first relaxation event for the undeformed glass (solid line) and under deformation with a step stress (○), a step strain (△), and a constant strain rate (◻) for . Dashed line shows the cumulative for the undeformed glass.

Image of FIG. 8.
FIG. 8.

Acceleration factor as a function of global strain for three different deformation protocols. Stress step: (○), 0.4 (◻), 0.5 (△); constant strain rate: (◇), (▽); strain step (◅). For each: (black), 22 500 (red). Also shown is the acceleration factor for the persistence times for constant strain rate deformation at (blue ). Solid symbols show results for chains of length 100.

Image of FIG. 9.
FIG. 9.

Incoherent scattering function with averaged over the non-deformed ( and ) directions for the undeformed glass (solid line) and under deformation with a step stress (○), a step strain (△), and a constant strain rate (◻) for . Dashed line shows for the undeformed glass.

Image of FIG. 10.
FIG. 10.

Acceleration factor calculated from the incoherent scattering function as a function of global strain for three different deformation protocols. Stress step: (○), 0.4 (◻), 0.5 (△); constant strain rate: (◇), (▽); strain step (◅). For each: (black), 7500 (red).

Image of FIG. 11.
FIG. 11.

(a) A typical particle trajectory in the glass. Red curve shows raw position data in the -direction, and the black curve shows the running average. (b) Standard deviation in the three dimensional particle position over the averaging window. Hops are identified by a threshold in the standard deviation, shown here as a horizontal dashed line, and marked in both frames as vertical dashed lines. In panel (a) the first hop time, persistence times, and particle displacements are also labeled.

Image of FIG. 12.
FIG. 12.

Probability distribution of the standard deviation in the particle position over an averaging time window of 400 for all particle trajectories. Dashed line shows the threshold for detecting a hop.

Image of FIG. 13.
FIG. 13.

The distributions (a) , (b) , and (c) for (circle), 37.5 (square) and 375 (triangle).

Image of FIG. 14.
FIG. 14.

The distributions (a) , (b) , and (c) for (square), 0.25 (circle), and 0.35 (triangle). Solid lines in (c) indicate power laws with slope of −1.5 and −1.1.

Image of FIG. 15.
FIG. 15.

(a) The distribution of hop correlations, (b) , and (c) computed with all of the hops detected (circles), and with only uncorrelated hops (squares).

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/content/aip/journal/jcp/133/16/10.1063/1.3505149
2010-10-29
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Deformation-induced accelerated dynamics in polymer glasses
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/16/10.1063/1.3505149
10.1063/1.3505149
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