The purpose of this work is to predict the mechanical properties of single-to few-layered
borophene (η-LB)/epoxy composites using molecular dynamics modelling. An epoxy matrix …

In this study, the mechanical properties of graphene–epoxy nanocomposites were
investigated using experimental tests, molecular dynamics (MD) simulation and Halpin_Tsai …

Molecular dynamics (MD) simulations were carried out to predict the thermal and
mechanical properties of the cross-linked epoxy system composed of DGEBA resin and the …

A comparative study was conducted to determine the effects of fullerene on the thermo-
mechanical properties of Araldite LY 5052/Aradur HY 5052 cross-linked resin epoxy by …

Binary and ternary blends with poly (lactic acid)(PLA), poly (butylene succinate)(PBS), and
thermoplastic starch (TPS) were prepared by a melt process to produce biodegradable …

To fully understand the filler reinforcement mechanism in asphalt mastic, molecular dynamic
(MD) simulation was adopted to explore the effect of mineral filler on the structural …

All-atom molecular dynamics (MD) simulations were performed with the CHARMM force field
to characterize various epoxy resins, such as aliphatic and bisphenol-based resins. A …

Epoxy resins are formed when epoxy monomers react with crosslinkers that have active
hydrogen sites on them such as amine and anhydrides. These cross-linked structures are …

A comprehensive, point-information-to-continuum-level analysis framework is presented in
this paper to accurately characterize the behavior of carbon nanotube (CNT)-enhanced …

We constructed and characterized a network structure of crosslinked phenolic resins using a
large-scale atomistic molecular dynamics simulation with a pseudo-reaction algorithm. The …