About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Additive Manufacturing: Nano/Micro-mechanics and Length-scale Phenomena
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| Presentation Title |
Three-pronged Approach to Prediction of Polymer-additive System Rheology |
| Author(s) |
Scott Muller, Peiyuan Gao, Lirong Zhong, Amanda Howard, Jaehun Chun, Gregory Schenter |
| On-Site Speaker (Planned) |
Scott Muller |
| Abstract Scope |
The inclusion of molecular additives gives an extra layer of customization to 3D-printed polymers. Additives may also affect, and be affected by, the rheological properties of a polymer melt. This research seeks to develop a mechanistic understanding of dispersion of functional additives and their effect on the rheological properties under shearing relevant to 3D-printing processes. The approach is threefold: (1) experimental rheometry measurements, (2) coarse-grained simulations, and (3) uniting of measurements and simulations into a physics-informed neural network model. This approach links structural behavior at the molecular scale to experimental observations at the macroscopic scale and provides predictive capability. The additive considered is tetraphenylethylene, a mechanochromic molecule which exhibits aggregation-induced-emission (i.e., its fluorescence changes depending on its degree of dispersion). The considered polymer matrix is polyetherketoneketone, a high-performance semi-crystalline thermoplastic. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Additive Manufacturing, Polymers, Modeling and Simulation |