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 …

This paper reviews molecular modeling studies of water structure in nano-confinement and
at fluid–solid interfaces and presents new molecular dynamics (MD) modeling results for …

We report new molecular dynamics results elucidating the structure of the electrical double
layer (EDL) on smectite surfaces contacting mixed NaCl–CaCl 2 electrolyte solutions in the …

Despite their thickness of only a few microns, layered double hydroxide (LDH) films offer
excellent corrosion protection for steel. However, the lack of molecular-level comprehension …

Geopolymer with sodium aluminosilicate hydrate (NASH) gel as the main hydration product
exhibits good waster immobilizing ability. To provide a fundamental understanding of the …

Molecular dynamics computer simulations of the molecular structure, diffusive dynamics and
hydration energetics of water adsorbed on (001) surfaces of brucite Mg (OH) 2, gibbsite Al …

We report a molecular dynamics study of the structure and dynamics of water at a clay
surface. The negative charge of the surface and the presence of surface oxygen atoms …

Ductility of fiber reinforced cement-based materials is closely related to the interfacial bond
of fiber/matrix, especially for the fiber with surface chemical inertness. In this study, graphene …

The soil water density is defined as the ratio of soil water mass to soil water volume. It is a
cornerstone in defining thermodynamic states of either saturated or unsaturated soils for …

In this study, a novel graphene oxide (GO) and epoxy (EP) composite coating was proposed
to prevent the ingress of the water and ions in the nanometer channel of calcium silicate …