The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

Fracture and damage ascribed to the intrinsic brittleness of amorphous oxide glasses are
crucial problems for the daily use of glass products. Because the latest developments in …

Glass fibers are widely used as reinforcements in composites for applications ranging from
lightweight and damage tolerant structures to protective materials providing high levels of …

One of the key challenges preventing the breakthrough of magnesium‐ion batteries (MIB) is
the formation of a passivating boundary layer at the Mg anode. To describe the initial steps …

Water penetration is a primary cause of composite insulator core rod deterioration. The
performance of the glass fiber-epoxy resin (GFEP) interface plays a crucial role in …

Hydrolysis at the water-glass interface significantly influences glass surface reactivity and
adhesion characteristics. In glass fiber reinforced epoxy composite interphases, hydroxyls …

Previous research has shown a consistent discrepancy in the reported structure of alkaline
earth aluminosilicate glasses using molecular dynamics (MD) simulations versus nuclear …

Metal and metal oxide aggregates are easily sintered by migration–diffusion in combustion,
and the aggregates hold a complex morphological and structural variability that increases …

Nanoalloy holds multiple complex morphologies in combustion. However, the underlying
mechanism, which is crucial to advance technical application of the nanoalloy, remains a …

ReaxFF is a computationally efficient model for reactive molecular dynamics simulations that
has been applied to a wide variety of chemical systems. When ReaxFF parameters are not …