Multiscale modeling of advanced nano-reinforced geopolymer/CNTs materials – NanoGP

Nowadays, Geopolymers are advanced alternatives to cementitious materials, where the excellent chemical and fire resistance are some of its most appealing properties. Geopolymers enable the use of industrial waste materials while converting them into a novel binding material. Their production is accompanied by a much lower CO2 emission when compared to Portland cement. Reinforcing geopolymers with nano-carbons would significantly strengthen its microstructure and with this enhancing the long term mechanical and durability performance.
The objective of this project is to use a multiscale numerical modeling approach to optimize the mechanical properties of geopolymers with nano-reinforced Carbon Nanotubes (CNTs). For this, atomistic modeling will be conducted by the French group using molecular dynamics methods, while considering humidity, heating and loading effects. A micro-level particle model will be developed by the German group, which will be based on particle (Monte Carlo) models, 3D image based algorithms, homogenization schemes and finite element method, to enable upscaling