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URN to cite this document: urn:nbn:de:bvb:703-epub-8866-0
Title data
Krebs, Niko ; Demleitner, Martin ; Albuquerque, Rodrigo Q. ; Schartel, Bernhard ; Ruckdäschel, Holger:
Bayesian Optimization of flame-retardant performance in a high-Tg epoxy resin system.
In: Computational Materials Science.
Vol. 260
(2025)
.
- 114210.
ISSN 1879-0801
DOI der Verlagsversion: https://doi.org/10.1016/j.commatsci.2025.114210
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Abstract
Polymeric materials are widely used due to their mechanical properties and cost-effectiveness, but their inherent flammability requires effective flame-retardant additives to meet safety standards. Optimizing multi-component flame-retardant formulations is challenging due to the vast experimental space. This study applies Bayesian Optimization (BO) to optimize flame-retardant formulations in high glass transition temperature (Tg) epoxy resins. Aluminum diethyl phosphinate (AlPi) was systematically combined with three synergists: zinc stannate (ZnSt), a silicone-based additive (DowSil), and low-melting glass frits (Ceepree). BO-guided experimental design expanded from 16 initial formulations to a total of 28, minimizing the Maximum Average Rate of Heat Emission (MARHE) under the constraint of Total Smoke Production (TSP) < 17 m2 using the epsilon-constraint method. BO revealed non-linear synergistic interactions: ZnSt significantly reduced smoke production while AlPi effectively lowered heat release. The optimized formulation (BO7) achieved the lowest MARHE (122 kW/m2) while maintaining acceptable smoke levels, establishing a new Pareto front. The results demonstrate the effectiveness of BO in accelerating the development of synergistic, halogen-free flame-retardant polymer systems, offering a scalable and sustainable approach to polymer formulation design.
Further data
| Item Type: | Article in a journal |
|---|---|
| Keywords: | Machine learning; Epoxy resin; Bayesian optimization; Flame retardancy; Cone calorimeter |
| DDC Subjects: | 600 Technology, medicine, applied sciences > 620 Engineering |
| Institutions of the University: | Faculties > Faculty of Engineering Science > Chair Polymer Materials > Chair Polymer Materials - Univ.-Prof. Dr.-Ing. Holger Ruckdäschel Faculties Faculties > Faculty of Engineering Science Faculties > Faculty of Engineering Science > Chair Polymer Materials |
| Language: | English |
| Originates at UBT: | Yes |
| URN: | urn:nbn:de:bvb:703-epub-8866-0 |
| Date Deposited: | 06 Feb 2026 12:41 |
| Last Modified: | 06 Feb 2026 12:42 |
| URI: | https://epub.uni-bayreuth.de/id/eprint/8866 |
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