Ultra-insulating polyethylene nanocomposites were achieved by appropriate MgO nanoparticle surface modification, resulting in unprecedented dispersion and 2 orders of magnitude lower conductivity.

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A flexible, biocompatible, nitrile butadiene rubber (NBR)-based strain sensor with high stretchability, good sensitivity, and excellent repeatability is presented for the first time. Carbon black (CB) particles were embedded into an NBR matrix via a dissolving-coating technique, and the obtained NBR/CB composite was coated with polydopamine (PDA) to preserve the CB layer. The mechanical properties of the NBR films were found to be significantly improved with the addition of CB and PDA, and the produced composite films were noncytotoxic and highly biocompatible. Strain-sensing tests showed that the uncoated CB/NBR films possess a high sensing range (strain of ∼550%) and good sensitivity (gauge factor of 52.2), whereas the PDA/NBR/CB films show a somewhat reduced sensing range (strain of ∼180%) but significantly improved sensitivity (gauge factor of 346). The hysteresis curves obtained from cyclic strain-sensing tests demonstrate the prominent robustness of the sensor material. Three novel equations were developed to accurately describe the uniaxial and cyclic strain-sensing behavior observed for the investigated strain sensors. Gloves and knee/elbow covers were produced from the films, revealing that the signals generated by different finger, elbow, and knee movements are easily distinguishable, thus confirming that the PDA/NBR/CB composite films can be used in a wide range of wearable strain sensor applications.

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In order to increase our fundamental knowledge about high-voltage cable insulation materials, realistic polyethylene (PE) structures, generated with a novel molecular modeling strategy, have been analyzed using first principle electronic structure simulations. The PE structures were constructed by first generating atomistic PE configurations with an off-lattice Monte Carlo method and then equilibrating the structures at the desired temperature and pressure using molecular dynamics simulations. Semicrystalline, fully crystalline and fully amorphous PE, in some cases including crosslinks and short-chain branches, were analyzed. The modeled PE had a structure in agreement with established experimental data. Linear-scaling density functional theory (LS-DFT) was used to examine the electronic structure (e.g., spatial distribution of molecular orbitals, bandgaps and mobility edges) on all the materials, whereas conventional DFT was used to validate the LS-DFT results on small systems. When hybrid functionals were used, the simulated bandgaps were close to the experimental values. The localization of valence and conduction band states was demonstrated. The localized states in the conduction band were primarily found in the free volume (result of gauche conformations) present in the amorphous regions. For branched and crosslinked structures, the localized electronic states closest to the valence band edge were positioned at branches and crosslinks, respectively. At 0 K, the activation energy for transport was lower for holes than for electrons. However, at room temperature, the effective activation energy was very low (∼0.1 eV) for both holes and electrons, which indicates that the mobility will be relatively high even below the mobility edges and suggests that charge carriers can be hot carriers above the mobility edges in the presence of a high electrical field.

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