Molecular modeling of the thermo-hygro-mechanical response of C-S-H

The comprehension of the thermo-hygro-mechanical response of cement-based materials (CBM) is key for ensuring the durability and long-term performance of CBM structures such as concrete (infra-)structures and building envelopes. Assessing the thermal response of CBM requires a precise determination of three main properties : heat capacity, thermal expansion, and thermal conductivity. The threethermal properties are known to be dependent upon the relative humidity and the temperature. As the main phase produced during cement hydration, C-S-H accounts for the majority of porosity in cement-based materials, featuring both gel (with diameters between 2-50 nm) and interlayer (with thickness