Optimization of Mechanical Properties of BIO-sourced Epoxy Resins by ARTificial Intelligence - When Emerging Technologies and Sustainable Development Work Side by Side

• Applicants: Dr.-Ing. Sebastian Pfaller; Professor Dr.-Ing. Holger Ruckdäschel
• Subject Area: Polymeric and Biogenic Materials and Derived Composites ; Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale ; Mechanics
• Term: since 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 505866713

The goal of BIO ART is to develop new bio-epoxy resins from renewable resources without bisphenol A, as it is toxic to humans and the environment. BIO ART’s originality comes from the synergy between green chemistry, emerging technologies (multiscale modeling and artificial neural network) and sustainable application in industry. In contrast to exclusively experimental or numerical approaches, BIO ART integrates simulations and experiments at length and time scales from the atomistic level to the engineering scale. BIO ART will contribute to close four knowledge gaps: i) use of exclusively bio-sourced molecules from abundant resources and natural fillers with competitive mechanical properties, ii) multiscale modeling of epoxy including its macromolecular network topology, iii) optimization of the resin formulation by an artificial neural network framework linking the chemical nature of the molecules to the mechanical properties, and iv) advanced mechanical characterization and processing of fiber-reinforced bio-composites. BIO ART consortium consists of four complementary Franco-German partners with recognized skills in the synthesis of bio-polymers and physicochemical characterization (IC-MPE/FR), in microstructure generation and surrogate models based on artificial neural networks (MSME/FR), in multiscale modeling of polymers and discrete-to-continuum coupling methods (FAU/DE), and in composite processing and advanced mechanical characterization (UBT/DE). The scientific program is divided as follows: WP1: Synthesis of bio-sourced epoxy, WP2: Characterization of bio-sourced epoxy, WP3: Multiscale modeling, WP4: Optimization of bio-sourced epoxy formulation by artificial neural network, and WP5: Composite processing and mechanical characterization. The program is defined so that they can be completed in 3 years by 3 collaborating doctoral researchers, one for the experimental part and two for the numerical part. A technician will support the experimental PhD candidate as regards the processing and characterization of the obtained materials. The consortium is a well-balanced composition of early career and senior scientists and will actively contribute to achieve the project’s milestones. BIO ART’s methods are up-to-date, based on recently published results, and benefit from the strong synergies with current projects. The proposed methodology will focus on the investigation of the relationship between the structure and the multiscale properties of the obtained materials. This approach will synergistically combine modelling with experimental characterizations, which will allow to address the scientific issues of this project. This multidisciplinary scientific approach will allow BIO ART to respond to a current crucial societal issue: biosourced polymer materials from circular bio-economy, aimed for sustainable development applications.

• DFG Programme: Research Grants
• International Connection: France
• Partner Organisation: Agence Nationale de la Recherche / The French National Research Agency
• Cooperation Partners: Professor Dr. Fabrice Detrez; Professorin Dr. Válerie Langlois; Professorin Dr. Estelle Renard; Professor Dr. Agustín Ríos; Professor Dr. Julien Yvonnet