Quantifying the Processes at the Origin of the Dielectric Response of Cement-Based Materials with Molecular Dynamics Simulations

The pore phase determines the dielectric and electrical responses of cement-based materials. Porosity is hierarchical in these materials with pore classes including macro, capillary, and nanopores. This work shows how molecular dynamics simulations provide quantitative information about the complex dielectric and electrical response for free water and ions, surface water and physically bound ions species, water and ions confined in nanopores, and also OH groups in the pore wall.