Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …

Interpenetrating phase composites (IPCs), as a novel type of composite material, offer
advantages such as lightweight, high strength, and superior energy absorption. This study …

In this work, an important step is taken towards the bioavailability improvement of poorly
water-soluble drugs, such as flubendazole (Flu), posing a challenge in the current …

We have used amido-amine functionalized carbon nanotubes (CNTs) that form covalent
bonds with cross-linked epoxy matrices to elucidate the role of the matrix–filler interphase in …

Asphalt, a soft matter consisting of more than a thousand chemical species, is of vital
importance for the transportation infrastructure, yet it poses significant challenges for …

The effects of molecular weight (MW) of cross-linker and degree of cure on the structure and
thermo-mechanical properties of the Bisphenol A diglycidyl ether epoxy resin have been …

In this study, the interaction of epoxy resin with the glass fiber in the presence of monolayer
glycidoxypropyltrimethoxy silane is studied using molecular dynamics simulations. To …

The composites industry is increasingly using molecular dynamics (MD) simulations to
inform its materials development decisions. As a result, there is growing awareness that …

Cross-linked epoxy thermosets, like all glass-forming viscoelastic materials, show both a
temperature and rate dependence in their thermomechanical properties. However …