Calcium silicate hydrate (CSH) is a crucial component in cementitious materials which
greatly contributes to the strength and properties of cement-based concrete. However …

Composites are commonly used in engineering applications. One example is the polymer-
cement composites, where the polymers are used to modify/reinforce the cement mortar and …

Efforts to tune the performance of organic/inorganic composites are hindered owing to a lack
of knowledge related to the interfacial interaction mechanisms. Here we investigated the …

Cement-based materials behave with brittle properties at the macro scale. By contrast, at the
nanoscale, its main phase, the calcium silicate hydrate (C–S–H) grain, shows better ductility …

With the continuous research efforts, sophisticated predictive molecular dynamics (MD)
models for CSH have been developed, and the application of MD simulation has been …

Geopolymer binders have attracted considerable attention in experimental research, in
which their formation mechanism, molecular structure types, and the evolution of their …

Concrete is an inherently multi-scale hydrophilic composite. Superhydrophobic surfaces
have not been created solely by using chemical modification to reduce surface energy. A …

The research on the strength, deformation and failure process of materials should be
implemented on the atomic scale to study the interaction between atoms. Molecular …

Superhydrophobic concrete has the ability to remove surface stains and resist water erosion.
In this paper, a fabrication medium of self-cleaning concrete with green environmental …

Defects present in the structure of nanostructures strongly affect and determine their
performance, especially at high loadings and temperatures. Herein, molecular dynamics …