Nano to microlevel modeling of cement-based materials

Synopsis: Recent developments in nanotechnology paved the way for deepening the modeling level of science-based kernels and enabling new opportunities in terms of understanding the formation of hydration products and their contribution to the microstructure. Based on these developments next generation models are considered to have the potential to design new advanced materials that contribute to sustainable construction. One of the activities currently running in this field is the Codice (Computationally Driven design of Innovative CEment-based materials) project which is a multi-scale modeling research project established within the European research arena FP7. The project has the ambition to bridge the nanoscale to the microscale by applying advanced computational simulation modeling techniques for cementitious materials. Nano-based models will be connected to the microscale level within the framework of the Hymostruc model. It is the objective of the CODICE project to provide more insight into the role of the fundamental building blocks of CSH gel (basically 5nm sized nanoparticles) and the mechanisms that govern their aggregation into high-density (HD) and low-density (LD) C-S-H varieties. Thus, the project aims to refine the microstructure of the Hymostruc model (Breugel 1991) so as to recognize the two types of C-S-H aggregates. The new computational scheme is expected to be a perfect tool to design new cementitious materials with improved mechanical properties.