Rheostructurally-informed Neural Networks for Geopolymer Material Design

Project Personnel

Safa Jamali

Principal Investigator

Hilmar Koerner

Emanuela Del Gado

Norman Wagner

Jacob Monzel

Funding Divisions

Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET), Division of Materials Research (DMR)

Geopolymers are inorganic and non-crystalline structural materials that can be obtained from natural soils via a chemical activation. They have great potential as additives to reduce cement consumption in construction and thus can help reducing green-house gas emissions of cement manufacturing. They also promote the adoption of local soil resources for traditional and 3D printing-based construction. Important for human space exploration, geopolymers can be also formed from lunar and Martian soils with limited water, and thus are excellent candidates for space infrastructure such as landing pads and shelters. However, at present processing of geopolymers into desirable structures remains far behind their laboratory scale performance, due to the wide range of chemistries and characteristics of different indigenous geopolymers. 

This award combines experiments, microscopic simulations, and machine learning approaches that will enable scientists and engineers to effectively design and control geopolymers properties and performances. In collaboration with the Air Force Research Laboratory, the team will educate and train future materials researchers with multi-tool skills that span experiments, simulations, and data-driven algorithms. 

Publications

Ion Specificity of Confined Ion–Water Structuring and Nanoscale Surface Forces in Clays
F. Dragulet, A. Goyal, K. Ioannidou, R. J. -. Pellenq, and E. Del Gado
6/22/2022

Designing Materials to Revolutionize and Engineer our Future (DMREF)