DATA-DRIVEN MULTISCALE DAMAGE PREDICTION SIMULATOR FOR RECYCLABLE THERMOSET (VITRIMER) NANOCOMPOSITES
Abstract
The proposed research seeks to develop a data-driven multiscale damage theory and simulator for vitrimer nanocomposites based on a polymer physics-based constitutive model. Recently, the vitrimer polymer has drawn dramatic attention for its characteristics of being recyclable, self-healable, and weldable. The conventional empirical modeling method has limited capabilities in predicting microscale progressive failure response. The proposed methodology can elucidate the progressive damage mechanism from nanoscale to macroscale. A polymer physics-based constitutive model (PPM) that can predict the viscoelastic-viscoplastic behavior of the vitrimer will be developed and verified by experimental tests. A coupled molecular dynamics-micromorphic theory (MD-MMT) multiscale simulator will apply the viscoelastic-viscoplastic PPM to the vitrimer resin and simulate local craze damage of the vitrimer resin using coarse-grained molecular dynamics (CG-MD) simulation results. To alleviate computational demands and account for heterogeneities associated with reinforcing fillers, deep learning-assisted micromechanics (DLAM) model will be developed and tuned to the MD-MMT model. Furthermore, a self-learning inverse finite element (SELIFE) framework with DLAM will be developed to construct a database of interaction tensors in DLAM. A database of DLAM interaction tensors will be constructed from an ensemble of statistically equivalent representative volume elements. Finally, the data-driven multiscale damage simulation results will be verified by in-situ SEM tensile tests. The proposed physics-based modeling from the nanoscale to macroscale will advance scientific knowledge on the damage mechanisms of the vitrimer. Outcomes from the proposed research will contribute to wide applications of the vitrimer nanocomposites. Beyond applications to the vitrimer, the data-driven multiscale modeling approach is general and applicable to other functional composite materials.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 11, 2021
- Source ID
- FA23862014067
Entities
People
- Gunjin Yun
Organizations
- Air Force Office of Scientific Research
- Seoul National University
- United States Air Force