Discrete element modeling of calcium-silicate-hydrate

Abstract

The discrete element method (DEM) was used to model calcium-silicate-hydrate (C-S-H) at the nanoscale. The C-S-H nanoparticles were modeled as spherical particles with diameters of approximately 5 nm. Interparticle forces included traditional mechanical contact forces, van der Waals forces and ionic correlation forces due to negatively charged C-S-H nanoparticles and ion species in the nanopores. Previous work by the authors demonstrated the DEM method was feasible in studying the properties of the C-S-H nanostructures. In this work, the simulations were performed to look into the effects of nanoparticle packing, nanoparticle morphology, interparticle forces and nanoparticle properties on the deformation mechanisms and mechanical properties of the C-S-H matrix. This work will provide insights into possible ways to improve the properties of the C-S-H matrix.