Multi-scale Approach from Atomistic to Macro for Simulation of the Elastic Properties of Cement Paste

In this study, first of all, the atomistic structure of cement hydration products is estimated via molecular dynamics method and their elastic properties are extracted. Then, cement hydration simulation is done by HYMOSTRUC3D model and the obtained results from both molecular dynamics and HYMOSTRUC3D methods are used for simulation in macro...

Microstructure-based prediction of the elastic behaviour of hydrating cement pastes

The development of the elastic properties of a hardening cement paste results from the microstructural evolution due to cement hydration. The elastic behaviour of cement paste can be predicted by a combination of the hydration model and micromechanical analysis, which originates from a microstructural representative volume where the elastic...