Multiscale Modeling and Characterization of Stress-sensitive Mechanophore-embedded Nanocomposites
B Koo and E Nofen and A Chattopadhyay and L Dai, STRUCTURAL HEALTH MONITORING 2015: SYSTEM RELIABILITY FOR VERIFICATION AND IMPLEMENTATION, VOLS. 1 AND 2, 2227-2234 (2015).
This paper presents the characterization and multiscale modeling of novel stress-sensitive mechanophore-embedded nanocomposites. Stress- sensitive mechanophores that emit fluorescence under mechanical loading have been developed recently. In this study, a cyclobutane-based mechanophore is incorporated into thermoset polymer matrix for early damage detection. Tris-Cinnamoyloxymethyl-Ethane monomer is used to make the cyclobutane-based mechanophore using ultra violet (UV) light by a process called UV-dimerization. Test results indicate that the cyclobutane-based mechanophore embedded thermoset polymer matrix is capable of capturing crack nucleation by exhibiting a color change under mechanical loading. A multiscale modeling framework connecting sub- nanoscale phenomena to a bulk polymer system is also developed by implementing a hybrid MD simulation approach. The multiscale modeling framework simulates cyclobutane-based mechanophore synthesis and mechanophore activation successfully. Local force analysis implemented by the multiscale modeling framework enables quantitative analysis of the mechanophore activation process and shows good correlation with experimental results.
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