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Modeling mechanophore activation within a crosslinked glassy matrix
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10.1063/1.4812581
/content/aip/journal/jap/114/2/10.1063/1.4812581
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/2/10.1063/1.4812581

Figures

Image of FIG. 1.
FIG. 1.

Two separate reaction pathways exist for activation: spiropyran to merocyanine isomer 1 and spiropyran to merocyanine isomer 2. The pathways have similar but distinct force dependent energy barriers for both the forward and reverse reactions. Both end products fluoresce.

Image of FIG. 2.
FIG. 2.

Kinetics of activation under constant force highlighting the role of force distributed about a mean (a) force distribution (b) activation at constant force resulting from force distribution. σ indicates standard deviation divided by mean force ( ).

Image of FIG. 3.
FIG. 3.

Response from molecular dynamics simulation of crosslinked PMMA under monotonic simple shear. (a) Shear stress versus shear strain as a function of strain rate with experimental data for reference, (b) Local force versus shear strain for the crosslinks and backbone including result of function used to convert stress to local force.

Image of FIG. 4.
FIG. 4.

Experimental and simulated response of SP-linked crosslinked PMMA under monotonic torsional loading. (a) Shear stress vs shear strain at three different strain rates. (b) Representative evolution of state variables related to capturing the yield peak and post yield hardening.

Image of FIG. 5.
FIG. 5.

Experimental and simulated activation response of SP-linked crosslinked PMMA under monotonic torsional loading. (a) Activation vs shear strain for model with no fitting parameters, (b) Activation vs shear strain for model including a force distribution.

Image of FIG. 6.
FIG. 6.

Experimental and simulated response of SP-linked crosslinked PMMA under constant torque at torque levels below the monotonic yield peak. (a) Shear strain vs time (b) Activation vs time. Experimental data indicate the minimum and maximum of 4–5 experiments conducted at each torque value ( ).

Tables

Generic image for table
Table I.

Material parameters for continuum mechanical model. # indicates parameter taken directly from Srivistava (2009).

Generic image for table
Table II.

Discretization of normal distribution of effective forces and corresponding weights.

Generic image for table
Table III.

Results from FMPES-MEP simulations of the reversible conversion of SP to MC under constant force.

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/content/aip/journal/jap/114/2/10.1063/1.4812581
2013-07-08
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Modeling mechanophore activation within a crosslinked glassy matrix
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/2/10.1063/1.4812581
10.1063/1.4812581
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