The CSH gel is an elusive material. Its variable composition and disordered nature
complicate a complete characterization of its atomic structure, and the elaboration of models …

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 …

The interfacial characteristics of geopolymer binder to aggregate composites are poorly
understood, especially at molecular level. Herein, molecular models are developed to study …

Calcium silicate hydrate (CSH) is the main binding phase of Portland cement concrete.
Though CSH is known to be assembled from nanoscale features, there is little experimental …

The interfacial characteristics between cement paste and silica are far from being fully
understood, especially from the nanoscale perspective. Herein, molecular models were …

Despite the recent advances in the understanding of diffusion processes in CSH, there are
still open questions regarding the pore-size dependence of diffusion and associated …

In order to enhance the efficiency of heavy metal solidification/stabilization (s/s), unexplored
atomic-scale interaction mechanisms between cement hydration products and metal ion are …

Using seawater for concrete production is potentially advantageous from a sustainability
perspective. However, the fundamental mechanisms underlying seawater-mixed concrete …

The immobilization of long-lived radionuclide wastes generated from nuclear power plants
(NPPs) during NPP operation, fuel reprocessing, and decommissioning of nuclear reactors …

The premelted films between cement and ice observed at freezing temperatures play a role
in the freeze-thaw damage of cement-based materials, as they play a role in cryo-suction …