Multifunctional Thermoset Polymer Matrix with Self-Sensing and Self-Healing Capabilities
Abstract
The technical objective of the proposed effort is to advance understanding of mechanochemistry by designing and demonstrating polymeric material that can sense damage. The proposed effort seeks to achieve the stated technical l objective through integrated experimental and computational modeling approaches. A mechanophore-embedded thermoset polymer matrix (resin and crosslinker) will be synthesized by embedding mechanophore re units into networked epoxy to allow for damage detection by fluorescent emission using two approaches. First, the hardener (or crosslinker) will be modified by the addition of mechanophore units and used to form crosslinks with unmodified resin by a combination of conventional chemical curing and UV activated photodimerization for the mechanophore units. In the second approach, both the crosslinker and the resin will be modified by the addition of mechanophore units, which by UV curing, will form a network polymer crosslinked solely by stress-sensing/self-healing units and a three-dimensional crosslinked polymer will result due to the four reactive units on the crosslinker and the two reactive units on the resin. Cinnamoyl and anthracene cycloalkane-functional mechanophores will be separately incorporated into these networked polymer matrices to probe their respective effectiveness as crack sensors and for self-healing. To characterize mechanophore effectiveness, both FTIR and NMR will be used to verify the chemical structure of the material and these analyses will be coupled to UV-V is and FTIR to monitor the degree of crosslinking. Additionally, a hybrid molecular dynamics (MD) model that captures the inter/intra-molecular interactions m a thermoset matrix using an empirical force-field and covalent bond dissociation using a bond order-based force field will be developed. Traditional MD simulation using an empirical force field will be used to simulate the curing process resulting in crosslinked structure, and a bond order-based force field will be employed to investigate the mechanophore activation energy and distribution of local force at the submolecular length scale. Furthermore, a rigorous quantification of uncertainty in input variables will be performed to investigate the variability of output parameters, which can be used to evaluate the decision criteria for mechanophore design.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 18, 2017
- Source ID
- W911NF1510072
Entities
People
- Aditi Chattopadhyay
Organizations
- Arizona State University
- Army Contracting Command
- United States Army