Optical properties of Si nanowire arrays (SiNWs) prepared on p-doped Si(111) and Si(100) substrates are studied. The SiNWs were synthesized by self-assembly electroless metal deposition nanoelectrochemistry in an ionic silver HF solution through selective etching. Total reflectance (R t) and total diffuse reflectance (R dt) of SiNWs change drastically in comparison to polished Si. To understand these changes diffuse reflectance (R d) with polarized incident light was studied. For samples prepared on Si(111), the wavelength integrated R d (wIRd) shows maxima at certain angle of incidence θ and it does not depend on light polarization. Moreover, R dt of SiNWs prepared on Si(111) can be modeled as an ensemble of diffuse reflectors. For samples prepared on Si(100) wIRd increases with θ, being greater when the light electric field is parallel to the plane of incidence. Also, R d spectra show structures due to interference effects. For these reasons SiNWs prepared on Si(100) can be considered as a thin film whose refractive index depends on light polarization.

Melting of Direct Reduced Iron (DRI) pellets in Electric Arc Furnaces (EAF) in steelmaking production is a common practice worldwide. Mathematical models are proper tools to study the phenomena involved in melting DRI. In this work we develop a mathematical model to predict melting kinetics of DRI in a liquid slag bath. The model is successfully validated against experimental results and it is used to develop a process analysis to estimate the effects of DRI size, stirring conditions, and temperatures of the bath and pellet on the melting kinetics of DRI.

The advance in Electron Backscatter Diffraction known as High Resolution EBSD has permitted the strain tensor components and neighbour disorientation measurements to be mapped at resolutions better than 2 parts in 10000. Following earlier research into this technique which was focused on verifying the sensitivity and accuracy of the measurements, recent studies have involved investigations on semiconductor and metallic polycrystalline materials. In particular observations of localized regions where residual strains exceeded the macroscopic yield stress have been thoroughly investigated to eliminate experimental error as a possible explanation. No such cause was found. Strain measurements on polycrystalline steels in uniaxial tension and during thermal stress relieving thermal treatment have also been carried out. Maps of the strain distribution during elastic loading and early stages of plastic flow showed hot spots of high strain as in the static tests but overall the measured elastic strain was equal to the applied strain.

Graphene is a strong contender as a material to replace indium tin oxide as the transparent conductor of choice for electronic applications due to its exceptional electrical and optical properties. In this work, we present a study of graphene oxide (GO) films produced by inkjet-printing. The printed GO films are reduced using hydriodic acid (HI) and acetic acid vapour at low temperature. The reduced GO (rGO) films displayed good optical and electrical properties with a sheet resistance 6.8 kΩ/□ at a transmittance of 80%. In addition, we show that the conductivity of rGO films is related to both the size of individual GO sheets in the ink and the thickness of printed films. The rGO films using large size GO sheets displayed a thickness-independent conductivity of ∼ 4 × 104 S/m, while the rGO films using small size GO sheets showed a thickness-independent conductivity of ∼ 1.7 × 104 S/m. These properties are comparable to graphene films produced by solvent exfoliation. In summary, we demonstrate a scalable and potentially low-cost technique to produce rGO transparent films and a route to improve the conductivity of rGO films by controlling size of GO sheets in the ink.

Many theoretical predictions have suggested that the confined length scales and increased interface density of various nanostructured materials may result in desired thermal, mechanical, and radiation properties. An important aspect of this for next generation nuclear reactors is understanding the change in swelling resulting from helium evolution in tungsten alloys, as a function of grain size and grain boundary type. This study investigated this using a new ion irradiation transmission electron microscope (TEM) facility that has been developed at Sandia National Laboratories and is capable of ion implanting helium at energies up to 20 keV. It was demonstrated in this feasibility study that helium could be implanted into an ultrafine grained tungsten TEM sample produced by severe plastic deformation. The size and density of the helium bubbles formed during the experiment appear nearly constant; while the larger voids formed appear to be dependent on the local microstructure. Future work is underway to both optimize the facility, as well as better understand the evolution of ultrafine grained tungsten resulting from both helium implantation and displacement damage.

We have employed a semicontinuum model to investigate the effect of tensile strain on thermal properties of graphene. Analytical expressions derived by Nihira and Iwata for phonon dispersion relations and vibrational density of states are employed, based on the semicontinuum model proposed by Komatsu and Nagamiya. The thermal conductivity is computed within the framework of Callaway’s effective relaxation time theory. It is found that thermal properties of graphene are quite sensitive to tensile strain. In the presence of tensile strain, the specific heat increases but the thermal conductivity decreases.

Pioneer works on nanocomposites were focused in carbon nanofibers or nanotubes dispersed in epoxy matrix, a viscous liquid facilitating the compounding stage. The interest in developing new composites aimed for biomedical applications led us to design new nanocomposites based in biodegradable polymers with demonstrated biological performance.

We report herein the development of micro-nano composites by extruding poly(butylene succinate) (PBS) microfibers with two different diameters, 200 and 500 µm, reinforced with electrospun chitosan nanofibers. Analysis of the microfibers showed high levels of alignment of the reinforcing phase and excellent distribution of the nanofibers in the composite. Its geometry facilitates the development of orthotropy, maximizing the reinforcement in the axial fiber main axis.

The biodegradable microfiber composites show an outstanding improvement of mechanical properties and of the kinetics of biodegradation, with very small fractions (0.05 and 0.1 wt.%) of electrospun chitosan nanofibers reinforcement. The high surface area-to-volume ratio of electrospun nanofibers combined with the increased water uptake capability of chitosan justify the accelerated kinetics of biodegradation of the composite as compared with the unfilled synthetic polymer.

The focus of this work is on back contact improvement for sputtered CZTS thin film solar cells. Three methods have been investigated including a thin Ag coating, a thin ZnO coating on the Mo back contact and rapid thermal annealing of the back contact. All of these methods have been found to reduce defects such as voids as well as secondary phases at the back contact region and inhibit the formation of MoS2. Consequently all the mothods effectively enhances Voc, Jsc, FF and therefore efficiency significantly.

The catalytic activity of disordered binary alloy metal surfaces is investigated for the oxygen reduction reaction (ORR) by generating free energy diagrams and performing calculations on d-band centers of alloys. The disorder was simulated using virtual crystal approximation; then, based on periodic, self-consistent density functional theory (DFT) methods, we calculated adsorption energies of reaction intermediates. Alternative pathway for ORR mechanism, involving proton/electron transfer to adsorbed oxygen and hydroxyl, is considered. The methodology was applied to (111) surface of PdxCu1-x disordered binary alloys, with different values of x concentration. This study found that at the ORR equilibrium potential of 1.23 V, the reactivity of all surfaces is shown to be limited by the rate of OH removal from the surface. Among the surfaces studied, the surface of Pd0.80Cu0.20 shows the highest reactivity and is more active than other non-Pt alloys. These results are in excellent agreement with earlier experimental and theoretical work.

Three types of silica materials with different morphology, specifically SiO2 hollow microspheres, mesoporous silica, and silica aerogel were tested as potential precursors for synthesis of silicon nano- and meso-structures that resemble the original morphology of the precursors. In the optimized magnesium thermal reduction process, magnesium vapor was delivered to silica surface through a stainless steel mesh placed on top of a zirconia boat filled with silica precursor. This approach allowed for better control of silicon nanostructure formation by minimizing reaction by-products that can affect performance of lithium ion battery anode. Material morphological properties of the reduced silica precursors are discussed in terms of X-ray diffraction, BET, BJH pore size distribution, Raman spectroscopy, and TGA.

Thin diamond foils are needed in many particle accelerator experiments regarding nuclear and atomic physics, as well as in some interdisciplinary research. Particularly, nanodiamond texture is attractive for this purpose as it possesses a unique combination of diamond properties such as high thermal conductivity, mechanical strength and high radiation hardness; therefore, it is a potential material for energetic ion beam stripper foils. At the ORNL Spallation Neutron Source (SNS), the installed set of foils must be able to survive a nominal five-month operation period, without the need for unscheduled costly shutdowns and repairs. Thus, a single nanodiamond foil about the size of a postage stamp is critical to the entire operation of SNS and similar sources in U.S. laboratories and around the world. We are investigating nanocrystalline, polycrystalline and their admixture films fabricated using a hot filament chemical vapor deposition (HFCVD) system for H- stripping to support the SNS at Oak Ridge National Laboratory. Here we discuss optimization of process variables such as substrate temperature, process gas ratio of H2/Ar/CH4, substrate to filament distance, filament temperature, carburization conditions, and filament geometry to achieve high purity diamond foils on patterned silicon substrates with manageable intrinsic and thermal stresses so that they can be released as free standing foils without curling. An in situ laser reflectance interferometry tool (LRI) is used for monitoring the growth characteristics of the diamond thin film materials. The optimization process has yielded free standing foils with no pinholes. The sp3/sp2 bonds are controlled to optimize electrical resistivity to reduce the possibility of surface charging of the foils. The integrated LRI and HFCVD process provides real time information on the growth of films and can quickly illustrate growth features and control over film thickness. The results are discussed in the light of development of nanodiamond foils that will be able to withstand a few MW proton beam and hopefully will be able to be used after possible future upgrades to the SNS to greater than a 3MW beam.

Organic composite materials can be readily found in our daily life, such as plywood used in construction industry and bamboo composites as indoor and outdoor flooring materials. These organic composite material systems consist of cellulose fibers bonded with each other through adhesives, leading to a bonded system with a gradient structure that possesses a unique structural behavior which has a great potential to be used as load-bearing building materials. In view of the manufacturing process of such composite material systems and the structure in-between the cellulose fibers and the adhesives, the interfacial adhesion of such systems at multiscale would play a major role in determining their capability in load-bearing structural applications. In this research work, the interface between cellulose fiber and phenol-formaldehyde adhesive is chosen as a representative of the organic composite material system and molecular dynamics simulation is used for quantifying their mechanical properties and the corresponding interfacial adhesion. Here we demonstrate that cellulose fiber has a strong affinity to a phenol-formaldehyde adhesive with an adhesion energy of 151.3 mJ/m2. To the best of our knowledge, this is the first study that reports this material property for cellulose-adhesive system, which is three times larger than that between the gecko foot’s hair and the mineral surface. The mechanism of such strong adhesion is due to the possible hydrogen bonding between the cellulose and the adhesive.

To prepare cholesteric liquid crystalline nonlinear optical materials with ability to be vitrified on cooling and form long time stability cholesteric glasses at room temperature, a series of platinum acetylide complexes modified with cholesterol has been synthesized. The materials synthesized have the formula trans-Pt(PR 3)(cholesterol (3 or 4)-ethynyl benzoate)(1-ethynyl-4-X-benzene), where R = Et, Bu or Oct and X = H, F, OCH 3 and CN. A cholesteric liquid crystal phase was observed in the complexes R = Et, and X = F, OCH 3 and CN but not in any of the other complexes. When X = CN, a cholesteric glass was observed at room temperature which remained stable up to 130 °C, then converted to a mixed crystalline/cholesteric phase and completely melted to an isotropic phase at 230 °C. When X = F or OCH 3 the complexes were crystalline at room temperature with conversion to the cholesteric phase upon heating to 190 and 230 °C, respectively. In the series X = CN, OCH 3 and F, the cholesteric pitch was determined to be 1.7, 3.4 and 9.0 µ, respectively.

Surface enhanced Raman scattering (SERS) is a sensitive and reproducible vibrational spectroscopic technique used to detect and characterize molecules near the surface of noble metals like Au, Ag, Pt, Cu, etc. SERS enhances Raman signals through light-induced plasmonic vibrations occurring on irregular metal surfaces and localized electromagnetic augmentation. To better define nano-scale regions of the Raman signal enhancement, we generated gold nanoparticles with a unique multi-branched configuration along with surface-adsorbed fluorescent reporter molecules. The reporter molecules included a set of near-infra red active fluorescent dyes IR820 (green cyanine, photo electronic dye), DTTC (3, 3'-diethylthiatricarbocyanine iodide) and DTDC (3, 3'- diethylthiadicarbocyanine iodide). We employed a one-pot synthesis method in order to generate a stellate configuration in gold nanoparticles through the reduction of HAuCl4 with Good’s buffer, HEPES, at pH 7.4 and room temperature. A cell viability assay was performed with normal esophageal cells exposed to the multi-branched gold nanoparticles and SERS molecules to assess their toxicity. Our results demonstrate the capacity of multibranched gold nanoparticles linked to Raman reporter molecules to generate distinct signature spectra and, with the exception of the gold nanoparticles functionalized with DTTC, remain non-toxic to normal esophageal cells.

Semi-insulating (SI) silicon carbide (SiC) was evaluated as a candidate material for dielectric substrate for patch antennas suitable for monolithic antenna integration on a SiC semiconductor chip. Computer simulations of the return loss were conducted to design microstrip patch antennas operating at 10 GHz. The antennas were fabricated using SI 4H-SiC substrates, with Ti-Pt-Au stacks for ground planes and patches. A good agreement between the experimental results and simulation was obtained. The radiation performance of the designed SiC based patch antennas was as good as that normally achieved from antennas fabricated using conventional RF materials such as FR4 and Rogers. The antennas had the gain around 2 dBi at 10 GHz, which is consistent with the conventional antennas of a similar size.

The Bastion of San Pedro is part of the defensive infrastructure projected by Spanish colonizers in San Francisco de Campeche City, in order to protect the city and their inhabitants from pirates who ravaged the region during the XVIth and XIXth centuries. The bastion is a masonry structure built by using calcareous materials according the Spanish procedures from the edge. Since its construction, it has been under the synergetic interaction of natural and anthropogenic factors that promote degradation. In this study optical microscopy (MO) and scanning electron microscopy coupled to a dispersive analysis system (SEM/EDS) were used in order to analyze the stratigraphic profile of mortar weathered samples collected from walls of the Bastion of San Pedro. According the results, the samples were formed by three substrata: an upper external layer in contact with the environment (100 to 300 µm), the other one is an inner layer with thickness around 100 to 400 µm. The last substrate was formed by the mortar matrix composed by elements such as C, O, Ca, Si and Al, that indicate their mineral origin. By the other hand, it is important to note that the upper layer contained higher proportion of C respect to the other layers. It is probably major consequence of biomass encrustation rather that atmospheric pollution according to the particular environmental conditions surrounding the building.

Magnetoelectric (ME) effects in bilayer composite cantilevers of magnetostrictive (MS) and piezoelectric (PE) materials on a substrate (Sub) are investigated theoretically for the FeCoBSi-AlN-Si system in open circuit mode and compared for different MS-PE-Sub layer thickness ratios and layer sequence choices. Static and resonant magnetic field excitations, the latter with resonance-enhanced cantilever oscillation, are investigated. Greatly differing behavior of the ME response with layer thicknesses is found for alternate layer sequences and excitation modes with the greatest resonant ME effect for the MS and PE layers on opposite sides of the substrate and the highest static effect for non-central substrates. The unexpected layer sequence systematics of the ME response are explained by the behaviour of the neutral (zero strain) plane in the strain coupled elastic layer stack.

Nitrogen-doped carbons nanoballs were synthesized from an organic liquid precursor (a mixture of benzene and pyrazine) by solution plasma process. After synthesis, they were further annealed at 700 and 900 °C under N2 atmosphere. The nitrogen-doped carbon nanoballs before and after thermal annealing process exhibit a similar morphological feature, and their diameters are in the range between 20 and 40 nm. With higher annealing temperature, the graphitization of the nitrogen-doped carbon nanoballs increases. For the electrocatalytic activity in an alkaline solution, the limiting current density and onset potential for the ORR activity can be significantly improved for the samples after thermal annealing at 900 °C. We anticipate that solution plasma process will be a viable alternative way for synthesizing heteroatom-doped carbon electrocatalysts for broad application in the field of fuel cells, metal-air batteries, and supercapacitors.