Epoxy resins are used in various fields in a wide range of applications such as coatings,
adhesives, modeling compounds, impregnation materials, high-performance composites …

Confronted with serious environmental problems caused by the growing mountains of
plastic packaging waste, the prevention and control of plastic waste has become a major …

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 …

Functionalization is widely used to improve the dispersion of graphene in a polymer matrix
when fabricating composites. However, there is no consensus on whether functionalization …

We use molecular dynamics (MD) to perform an extensive characterization of the thermo-
mechanical response of a thermoset polymer composed of epoxy EPON862 and curing …

This article reviews the field of molecular simulations of thermoset polymers. This class of
polymers is of interest in applications ranging from structural components for aerospace to …

This work presents a generalized structure generation methodology for amorphous
polymers by a simulated polymerization technique and 21-step molecular dynamics …

Various methods have been developed to perform atomistic-scale simulations for the cross-
linking of polymers. Most of these methods involve connecting the reactive sites of the …

Epoxy resins are used extensively in composite materials for a wide range of engineering
applications, including structural components of aircraft and spacecraft. The processing of …

Recently, great attention has been focused on using epoxy polymers in different fields such
as aerospace, automotive, biotechnology, and electronics, owing to their superior properties …