Informed Materials Discovery: Designing New Engineering Polymer Systems Using High Throughput Modeling Techniques
Abstract
This project focused on the development of a high-throughput Polymer Discovery Tool (PDT) by expanding Group Interaction Modeling (GIM)and validating it across a range of high performance epoxy resins and epoxy resin blends with amine hardeners. The project achieved its targets, which included: (i) the development of the first high throughput version of the Polymer Discovery Tool, (ii) the successful implementation and validation of the prediction of thermomechanical properties against experimental data, (iii) the identification of suitable methods and tools to use in the software implementation of the model and website and (iv) the further development of the model to incorporate other classes of polymers such as but not restricted to: other thermosetting polymers, thermoplastics or semi-crystalline systems. The software allows the user to see animated simulations of the property evolution against any descriptor. This efforts results have been presented at the following forums:1) Thermosets 2015 (16 - 18 September 2015, Berlin, Germany), presentation in the Modelling and Characterisation session.2) O.A. Amariutei, J.P. Foreman, High performance epoxy resin design using group interaction modeling, Thermosets 2015 - From Monomers to Components: Proceedings of the 4th international Conference.3) Dynamic Materials and Interactions Portfolio Review Meeting 2015 (11- 13 August 2015, Fort Walton Beach, FL, USA), presentation on Informed Materials Discovery: Designing New Engineering and Polymer Systems Using High Throughput Modelling Techniques.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 27, 2016
- Accession Number
- AD1020856
Entities
People
- Joel P. Foreman
- Olga A. Amariutei
Organizations
- University of Sheffield