TY - Generic T1 - Modelling cement at fundamental scales: From atoms to engineering strength and durability T2 - Euro-C Conference Y1 - 2014 A1 - Enrico Masoero A1 - Hamlin M. Jennings A1 - Franz-Josef Ulm A1 - Emanuela Del Gado A1 - Hegoi Manzano A1 - Roland Jean-Marc Pellenq A1 - Sidney Yip ED - Bicanic, N ED - Mang, H ED - Meschke, G ED - DeBorst, R AB -

The mechanics and rheology of cement pastes are largely determined by the Calcium-Silicate-Hydrate (C-S-H) gel, which is normally the main binding phase. The C-S-H gel is an amorphous material with a nanoscale pore network. Here we consider a model structure of the gel, where a continuous molecular model of non-porous C-S-H is combined with a colloidal model that incorporates the porosity of the gel. Numerical simulations predict mechanical properties and microscopic processes associated with yielding under shear. The proposed model can now be used to extract further properties and to contribute to a broader effort aimed at describing and engineering the multi-scale structure and mechanical behaviour of the cement paste. We finally discuss the opportunities offered by our model with respect to the scientific and technological challenges of modelling and controlling ageing and creep over long time scales.

JF - Euro-C Conference PB - CRC Press-Taylor & Francis Group CY - MAR 24-27, 2014, St Anton am Alberg, AUSTRIA VL - COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1 SN - 978-1-138-02641-4; 978-1-315-76203-6 ER -