Mechanical Properties of Nano-Crystal in Cement: Investigations by Molecular Dynamics

Abstract

The mechanical properties of Calcium Silicate Hydrate (CSH) matrix, which is dominant in cement, is of importance for clarifying the mechanical properties of cement block. It will provide the information for the best design of cement materials. The unit component in C-S-H matrix called Globules is crucial for building the model for C-S-H matrix. However, there is difficulty to measure the properties of Globules due to their nano-scale structure. We investigate the mechanical properties of tobermorite14Å and jennite, which have structural similarity with Globules, by using molecular dynamics, where dynamic measurement of stress-strain relationship has been utilized. We could investigate temperature dependence and destructions, which are difficult to obtain by static calculations. It was suggested that the water layer inside the C-S-H solid have the key role both for elastic and yielding properties.