In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process can generate long, micrometer sized, folded nanoribbons without the action of any external forces. Also, during this cracking-like propagation process, the width of the graphene folded ribbon continuously decreases and the process only stops when the width reaches about few hundreds nanometers in size. It is believed that interplay between the strain energy of folded regions, breaking of carbon-carbon covalent bonds, and adhesion of graphene-graphene and graphene-substrate are the most fundamental features of this process, although the detailed mechanisms at atomic scale remain unclear. In order to gain further insights on these processes we carried out fully atomistic reactive molecular dynamics simulations using the AIREBO potential as available in the LAMMPS computational package. Although the reported tearing/peeling experimental observations were only to micrometer sized structures, our results showed that they could also occur at nanometer scale. Our preliminary results suggest that the graphene tearing/peeling process originates from thermal energy fluctuations that results in broken bonds, followed by strain release that creates a local elastic wave that can either reinforce the process, similar to a whip cracking propagation, or undermine it by producing carbon dangling bonds that evolve to the formation of bonds between the two layers of graphene. As the process continues in time and the folded graphene decreases in width, the carbon-carbon bonds at the ribbon edge and interlayer bonds get less stressed, thermal fluctuations become unable to break them and the process stops.

With a high affinity to carbon comparable to titanium and an electrically conductive carbide, zirconium has potential to form ohmic contact on boron doped diamond. In this work, formation of ohmic contacts on boron doped diamond using zirconium is studied in comparison to titanium. Boron doped diamond epitaxial layers have been grown by microwave plasma enhanced chemical vapour deposition with various B/C ratio. Circular Transmission Line Model structures were fabricated using standard micro-fabrication technologies. Specific contact resistance of fabricated contacts was determined for different boron concentrations and for various annealing temperatures. Ohmic contacts using zirconium are formed after annealing at 400 °C. Specific contact resistance steadily decreases with high temperature annealing down to a value of ca. 1 mΩ.cm2 after annealing at 700 °C for highly boron doped diamond. In comparison, titanium contact fabricated on highly doped diamond appears not stable under high temperature annealing.

The hydration of cement is an exothermic reaction which generates around 300 kJ/kg of cement hydrated. In mass concrete structures such as dams and large foundations, this heat of hydration causes a significant rise in temperature in the internal sections of the concrete. If thermal gradients between the internal sections and the near-surface zone of the concrete element are sufficiently large, the thermal stress can cause cracking of the concrete. This cracking may cause functional or structural problems in the operation of the structure. In order to minimise the potential for such cracking, it is necessary to minimise the rate and amount of heat that is evolved, particularly during the early period of the hydration process. This can be achieved by design engineers and concrete technologists through judicious selection and processing of concrete-making materials. This paper presents the observations and results obtained over a number of years from adiabatic testing of concretes, computational modelling of temperature development in large concrete structures and direct temperature measurements in actual structures, with a view to understanding the effects of concrete-making materials on temperature development in concrete. The paper considers the effects of different types of rock aggregates, different types of Portland cement, fineness of grinding of the cement, the addition of supplementary cementitious materials and variations in the concrete starting temperature on temperature development in a large concrete element over time. The results indicate that using a coarser ground cement, adding significant amounts of supplementary cementitious materials and cooling the concrete mixture before placing has a more significant effect in reducing the risk of cracking than varying the aggregate type of the Portland cement type.

The viscoelastic properties of magnetorheological elastomers (MREs) are tunable with an external magnetic field, which provides them with greater functionality than conventional reinforced polymers. Despite the abundant amount of literature studying the complex micromechanics of MREs, the effect of filler morphology (including particle size, shape and superficial texture) is an aspect that has been recurrently overlooked. This paper presents a multiscale experimental investigation of the microscopic mechanisms governing the macroscopic viscoelastic behavior of PDMS-silicone-based MREs, with an emphasis on the effect of filler morphology on both the microstructure and the overall dynamic shear response of MREs. Sixteen different MREs were produced using four different iron powders of varying average particle size, shape and texture. The morphology of iron particles and the microstructure of the fabricated materials were analyzed via X-ray computed nanotomography and scanning electron microscopy. In addition, the shear moduli of the specimens were monitored under coupled magneto-mechanical loading via dynamic mechanical analysis. This study shows that the particle size affects the strength of the magnetic interparticle interactions, which produce a confining effect on the rubber matrix, while the particle shape and texture have a great influence on the rubber-filler mechanical adhesion.

In this paper, we report a method of increasing fracture toughness (KIC) and strain energy release rate (GIC) of vinyl ester matrix by adopting a dual reinforcement strategy. Reinforcements were carbon nanotubes (CNT) and graphene nanoplatelets (GNP). Both categories of nanoparticles were functionalized with COOH. The idea was to enhance crack bridging and interface sliding with CNT inclusions, given their high aspect ratio. In addition, promote crack-tip blunting and cross-linking density with GNP inclusions, due to their platelet structures. Both KIC and GIC were measured using ASTM D5045-14. An exhaustive experimental study revealed an optimum loading of both nanoparticles to be 0.25 wt% CNT and 0.5 wt% GNP, based on the highest combination of KIC and GIC values. We observed that stress intensity factor, KIC, of neat vinyl ester increased by 43% from 1.14 to 1.62 MPa*(m½). Meanwhile, the improvement in GIC was even greater with an increase of 65%, i.e., from 370 to 610 J/(m2). Differential scanning calorimetry (DSC) studies showed a discernible shift in glass transition temperature (Tg) from 123 to 128°C. The slight temperature increase was similar in thermogravimetric analysis (TGA). We observed the maximum thermal decomposition temperature (Tp) increase from 410 to 414°C, as was evident in the derivative TGA (DTG) curves.

Hydrogels made of sodium 2-acrylamide-2-methypropanesulfonate were synthesized with the goal of creating a polymer for tissue engineering applications. The hydrogels were doped with silver nanoparticles to create hydrogel/Ag with possible antibacterial properties. We varied the weight/volume percentage of Laponite from 3 to 10 w/v% to alter the rheological properties of the hydrogels. Raman spectroscopy was used to study the progress of the chemical reaction at different polymerization times under ultraviolet radiation. By comparing the changes in the intensities of the Raman bands corresponding to C=C and C–C bonds with reaction time, we found that the optimal polymerization time to obtain chains of poly(2-acrylamide-2-methylpropanesulfonate) was 3 to 4 h. Characterization of the hydrogels with scanning electron microscopy indicated pore sizes of 1 to 6 µm.

Recently, gel polymer electrolytes (GPEs) have been drawn noteworthy attention for different applications, specifically, for supercapacitors. GPEs could become an excellent substitute to liquid electrolytes (LEs) for making flexible and more durable devices. The performance of two different electrolytes (GPEs and LEs) in multi-wall carbon nanotube based supercapacitors were investigated. In spite of significantly lower conductivity of GPEs than LEs, devices with the gel electrolyte presented a superior performance. More focused has been given in this work on demonstrating the performance of supercapacitors based on GPEs and LEs at different concentrations of the acids ranging from 1M to 3M. Both electrolytes have been characterized at room temperature by making supercapacitors and using cyclic voltammetry, charging-discharging, electrochemical impedance spectroscopy, and leakage tests. The experimental results showed that GPE devices had much better capacitances and resistances compare to the LE based devices. Moreover, the capacitances of all devices were increased proportionally with the increase in the concentration from 1M to 3M, and the resistances were increased inversely with the decreased of concentration. The promising results from the gel electrolytes is encouraging for further development of flexible and high capacitance energy storage devices.

HgTe nanocrystals are extremely interesting materials to obtain a highly tunable absorption spectrum in the infrared range. Here, we discuss the two extreme cases of strongly confined and barely confined HgTe nanocrystals. We discuss the synthesis and optoelectronic properties of HgTe 2D nanoplatelets where the confinement energy can be as large as 1.5 eV. This material presents enhanced (mostly narrower) light emitting properties compared to spherical nanocrystals emitting at the same wavelength. Moreover, absorption spectra, majority carriers and time response can be tuned by carefully choosing the surface chemistry and applying a well-chosen gate bias. HgTe can also be used to explore the effect of vanishing confinement and to obtain quasi bulk properties with tunable absorption in the THz, up to 150 µm.

The internal buckling is a common phenomenon in the as-grown carbon nanotube arrays. It makes the physical properties of carbon nanotube array in experiment lower than that in theory. In this work, we analyzed the formation and evolution mechanism of the internal buckling based on quasi-static compression model, which is different from collective effect of the van der Waals interactions. The self-restriction effect and the different growth rate of carbon nanotubes verify the possibility of the quasi-static compression model to explain the morphology evolution of vertical carbon nanotube arrays, especially the phenomenon of the quasi-straight and bent carbon nanotubes coexisted in the array. We generalized the Euler beam to wave-like beam and explained the mechanism of high-mode buckling combined with the van der Waals interaction. The calculated result about the link between compressive stress and strain confirms with the stage of collective buckling in the quasi-static compression test of carbon nanotube array. Preparation of well-organized carbon nanotube arrays was strong evidence verified the effect of self-restriction in experiment.

Dental pulp stem cells (DPSCs) can differentiate into bone cells when provided the correct environment, potentially generating cells to repair non-union fractures. Polylactic Acid (PLA) is a biocompatible polymer for 3-D printing of scaffolds, but DPSCs do not proliferate well on PLA. With the goal of making PLA more conducive for DPSC growth, Graphene Oxide (GO); partially reduced Graphene Oxide (pRGO); GO with iron nanoparticles (FeGO) or Fe-pRGO were incorporated into PLA and spun cast as thin films onto silicon wafers for DPSC plating. DPSCs on Fe-pRGO displayed the fastest doubling time and the highest cell modulus; Fe-pRGO with exterior magnets produced high cell density. SEM demonstrated DPSC mineralization, whereas PLA-only DPSC cultures showed none. Results suggest that PLA/Fe-pRGO and PLA/pRGO enhance DPSC proliferation and possibly differentiation with the potential for use as a 3-D printed scaffold for tissue engineering.

Nanosized CeO2-CuO (CeCu, 2:1) and CeO2-CoO (CeCo, 2:1) were synthesized by co-precipitation from nitrate precursors using 25% ammonia solution (NH4OH) as the precipitating agent. The catalysts were calcined in air at 800°C for 4h to evaluate the thermal stability. Powder x-ray diffraction (XRD) and Dynamic Light Scattering (DLS) techniques were used for catalyst characterization. A Thermo Gravimetric/Differential Thermal Analyzer (TG/DTA) was used to determine the catalytic efficiency and soot oxidation activity. Ce-composite nanoparticles heightens the redox properties of the catalyst relative to undoped ceria. The Ce-composite samples exhibited excellent soot catalytic combustion performance by decreasing activation energy of soot oxidation.

Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low and anisotropic thermal conductivity and it is believed that this anisotropy should be also reflected in its mechanical properties. Although PG mechanical properties have been investigated, a detailed and comprehensive study is still lacking. In the present work we have carried out fully atomistic reactive molecular dynamics simulations using the ReaxFF force field, to investigate the mechanical properties and fracture patterns of PG membranes. The Young’s modulus values of the PG membranes were estimated from the stress-strain curves. Our results show that these curves present three distinct regimes: one regime where ripples dominate the structure and mechanical properties of the PG membranes; an elastic regime where the membranes exhibit fully planar configurations; and finally am inelastic regime where permanent deformations happened to the PG membrane up to the mechanical failure or fracture.

Highly detailed structural characterization is required to understand the discharge mechanism in order to effectively investigate α-MnO2 structured lithium battery cathode materials. This paper discusses recent findings which elucidate the lithiation mechanism of silver-hollandite, AgxMn8O16. For Ag1.2Mn8O16, the structure is not significantly perturbed during the first 2 equivalents of lithiation and the electrochemistry is highly reversible. Upon 4 equivalents of lithiation, the structure becomes highly distorted, in correlation with capacity fade observed over 40 cycles. Notably, regarding capacity fade, modifications to Ag/Mn ratio are less impactful than modifications to the α-MnO2 crystallite size. This is shown in comparisons of two materials with the same stoichiometry (Ag1.4Mn8O16) and differing crystallite size (10 and 15 nm).