Related papers: The comparison of the healing performance of polyu…
Manual maintenance and repair of cracks in concrete structures are often unsustainable because of associated labor, capital and environmental damage. Introduction of microfibers and superabsorbent polymers is a material solution to restrict…
Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those…
Here we present a model of self healing in which correlations between chromophores, as mediated by the polymer, are key to the recovery process. Our model determines the size distribution of the correlation volume using a grand canonical…
The environmental and economic benefits of recycling asphalt pavements have received much attention in recent years. Because of the increase in the cost of raw materials and energy carriers, the reuse of large portions of reclaimed asphalt…
The adsorption of mixtures of charged polymers onto solid surfaces presents a big interest in different technological and industrial fields, and in particular, in cosmetics. This requires to deepen on the most fundamental physico-chemical…
Increasing the HMA base thickness and modifying the HMA mixture properties to improve the resistance to fatigue cracking are among the most popular methods for achieving long-lasting pavements. Such methods are based on the idea of reducing…
Molecular dynamics simulations have been used to study a collective atomic transport phenomenon by repeated Ar$^+$ irradiations in the Ti/Pt interfacial system. The ion-induced injection of surface atoms to the bulk, the ejection of bulk…
Polymer composites were manufactured using biocarbon particles as a reinforcing filler to improve the mechanical and thermal properties. However, a detailed examination of dispersion and agglomeration of filler is essential to correlate the…
The development of synthetic strategies to engineer \pi-conjugated polymers is of paramount importance in modern chemistry and materials science. Here we introduce a theoretical and experimental synthetic paradigm based on the search for…
Vitrimers are a special class of polymers that undergo dynamic cross-linking under thermal stimuli. Their ability to exchange covalent bonds can be harnessed to mitigate damage in a composite or to achieve recyclable aerospace composites.…
Various aspects of the methods of physical and physicochemical modification of components of filled thermoplastic composite materials are analyzed, aimed at improving the surface properties of the fillers and the technological properties of…
Polymeric materials are widely used in many applications and are especially useful when combined with other polymers to make polymer composites. The appealing features of these materials come from their having comparable levels of strength…
We study the properties of a polycarbonate melt near a nickel surface as a model system for the interaction of polymers with metal surfaces by employing a multiscale modeling approach. For bulk properties a suitably coarse grained bead…
Hypothesis: The macroscopic properties of polymer composites are governed by the dispersion and aggregation states of filler particles within a crosslinking matrix. Although curing transforms a liquid precursor into a solid network, its…
In the case of polymer medical devices, the surface design plays a crucial role in contact with human tissue. The use of AgNPs as antibacterial agents is well known; however, their anchoring into the polymer surface can still be…
We study chemical aging in "COOEE bitumen" using molecular dynamic simulations. This model bitumen is composed of four realistic molecule types: saturated hydrocarbon, resinous oil, resin, and asphaltene. The aging reaction is modelled by…
Paints and coatings undergo a variety of physical and chemical changes under environmental exposures. Accurate prediction of these changes is important for the applications of coatings. This work presents a novel approach to modeling…
We report on our progress towards continuum rate equation modeling, as well as numerical simulations, of self-healing of fatigue in composites reinforced with glue carrying nanoporous fibers. We conclude that with the proper choice of the…
Synthetic polymers constitute one of the main carbon-containing wastes generated nowadays. In this study, combined hydrothermal liquefaction (co-HTL) is evaluated for 1:1 mixtures of Miscanthus Giganteus and different synthetic polymers…
Solutions of semiflexible polymers confined by repulsive planar walls are studied by density functional theory and Molecular Dynamics simulations, to clarify the competition between the chain alignment favored by the wall and the depletion…