Filip Vuković

TL;DR: New insights are introduced regarding the molecular-level details of moisture ingress and spatial distribution of water in these materials during hygrothermal aging, informing future design directions for extending both the service life and shelf life of next-generation composites.

TL;DR: In this paper, a review on the use of molecular dynamics to design complementary interfaces for the next generation of composites is presented. But the design of molecular interactions at the interface is exceedingly difficult to determine and design, and thus, the authors conclude this review with a section on using molecular dynamics for the design complementary interface for next generation composites.

TL;DR: It is shown that the GO sheets display a dramatic decrease in strength and stiffness relative to graphene and, due to the presence of extended structural defects, no improvement is seen in the mechanical properties after reduction, indicating the importance of extended topological defects to the structure and properties of functionalized graphene.

TL;DR: In this paper, molecular dynamics simulations are used to predict the molecular-level structure and thermo-mechanical properties of three tetrafunctional epoxy resins, and a characteristic molecular signature of segmental dynamics, correlating with the glass transition temperature, is identified.

TL;DR: In this paper, a carbon-only potential is used to generate topologically and topographically rich surfaces via annealing molecular dynamics simulations and manipulation of periodic boundary conditions, which produces fiber surfaces featuring edges, holes, convergent sheet boundaries, topological defects, amongst other structures.