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...

Modeling framework for fracture in multiscale cement-based material structures

Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem...

Characterization and comparison of capillary pore structures of digital cement pastes

More and more studies are based on digital microstructures of cement pastes obtained either by numerical modelling or by experiments. A comprehensive understanding of the their pore structures, therefore, becomes significant. In this study, the pore structure of a virtual cement paste (HYMO-1d) generated by cement hydration model HYMOSTRUC 3D...

New insights into autogenous self-healing in cement paste based on nuclear magnetic resonance (NMR) tests

The aim of this study is to investigate the effect of water migration from cracks into the bulk paste on autogenous self-healing. Nuclear magnetic resonance (NMR) technique was utilized to monitor water migration from cracks into the bulk paste during the process of autogenous self-healing. NMR results show that initially the water in the...