Nanoindentation has become an increasingly popular method to determine the mechanical
properties of both homogeneous and heterogeneous materials. Rocks are inherently …

To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …

The understanding of the swelling phenomenon of montmorillonite is essential to predict the
physical and chemical behavior of clay-based barriers in geoenvironmental engineering …

The molecular-scale adsorption mechanism of heavy metal ions in the interlayer and
nanopore regions of montmorillonite (MMT) were investigated by molecular dynamics …

The reviewed papers presented here provide a general overview of worldwide radioactive
waste‐related studies conducted in 2019. The current review includes studies related to …

Toward the development of classical force fields for the accurate modeling of clay mineral-
water systems, we have extended the use of metal–O–H (M–O–H) angle bending terms to …

The application of electrochemical technologies for chemical and fuel synthesis offers a
significantly more eco-friendly method than traditional industrial practice. However …

Hydrated cement is one of the complex composite systems due to the presence of multi-
scale phases with varying morphologies. Calcium silicate hydrate, which is the principal …

A molecular-scale understanding of the transition between hydration states in clay minerals
remains a challenging problem because of the very fast stepwise swelling process observed …