The shear deformations of pillared-graphene nanostructures are investigated using molecular dynamics simulation. Slight anisotropy regarding the direction of a shear load is detected. Changing the loading area in graphene and the radius of a single-walled carbon nanotube (SWNT) as a pillar, the deformations near the joints of graphene and a SWNT are examined in detail. It is concluded the anisotropy of the shear deformation of the nanostructure is due to the atomic structures at the joints of graphene and a SWNT as a pillar, and the out-of-plane deformations of graphene near the joints dominantly affect the overall shear deformation of the nanostructure.

Dye sensitized solar cells (DSSCs) belong to an innovative third generation photovoltaic technology, which is demonstrating tremendous potential to become a revolutionary technology due to recent breakthroughs in fabrication cost. A seven-step quality improvement method is implemented to enhance process efficiency and effectiveness of the DSSCs. Lean Manufacturing’s 5S method successfully increased efficiency in all of the processes. Six Sigma’s DMAIC methodology is used to identify and eliminate each of the root causes of defects in the critical titanium dioxide deposition process. These optimizations resulted with the following significant improvements in the production process: 1. fabrication time of the DSSCs is reduced by 54 %; 2. fabrication procedures improved to the extent eliminated all critical defects 3. The yield of good cells increased from 17% to 90%.

Graphene is a promising material for electronic and spintronic applications due to its high carrier mobility and low intrinsic spin-orbit interaction. However, extrinsic effects may easily dominate intrinsic scattering mechanisms. The scattering mechanisms investigated here are associated non-magnetic, charged impurities in the substrate (e.g. SiO2) beneath the graphene layer. Such impurities cause an electric field that extends through the graphene and has a non-vanishing perpendicular component. Consequently, the impurity, in addition to the conventional elastic, spin-conserving scattering can give rise to spin-flip processes. The latter is a consequence of a spatially varying Rashba spin-orbit interaction caused by the electric field of the impurity in the substrate. Scattering cross-sections are calculated and, for assumed impurity distributions, relaxation times are estimated.

Thermoelectric materials with stable mechanical and chemical properties at high temperature are required for power generation applications. For example, gas temperatures up to 1000°C are normally present in the waste stream of industrial processes and this can be used for electricity generation. There are few semiconductor materials that can operate effectively at these high temperatures. One solution may be the use of wide bandgap materials, and in particular GaN-based materials, which may offer a traditional semiconductor solution for high temperatures thermoelectric power generation. In particular, the ability to both grow GaN-based materials and fabricate them into devices is well understood if their thermoelectric properties are favorable. To investigate the possibility of using III-Nitride and its alloys for thermoelectric applications, we synthesized and characterized room temperature thermoelectric properties of metal organic chemical vapor deposition grown GaN and InGaN with different carrier concentrations and indium compositions. The promising value of Seebeck coefficients and power factors of Si-doped GaN and InGaN indicated that these materials are suitable for thermoelectric applications.

In this work Al-SiC nanocomposites were prepared by high energy ball milling followed by spark plasma sintering of the powder. For this purpose Al micro-powder was mixed with 50 nm diameter SiC nanoparticles. The final composites had grains of approximately 100 nm dimensions, with SiC particles located mostly at grain boundaries. To characterize their mechanical behavior, uniaxial compression, micro- and nano-indentation were performed. Materials with 1vol% SiC as well as nanocrystalline Al produced by the same means with the composite were processed, tested and compared. AA1050 was also considered for reference. It was concluded that the yield stress of the nanocomposite with 1 vol% SiC is 10 times larger than that of regular pure Al (AA1050). Nanocrystalline Al without SiC and processed by the same method has a yield stress 7 times larger than AA1050. Therefore, the largest increase is due to the formation of nanograins, with the SiC particles’ role being primarily that of stabilizing the grains. This was demonstrated by performing annealing experiments at 150°C and 250°C for 2h, in separate experiments.

Silicon nanoparticles (Si NPs) were synthesized by plasma enhanced chemical vapor deposition (PECVD) using silane as a silicon source. Allylamine was used as passivation ligands to form water-soluble Si NPs. Finally, aqueous asymmetric flow field-flow fractionation was used to successfully separate the polydisperse Si NPs into monodisperse Si NP fractions.

Strategies for controlled imbibition utilizing both topographical cues as well as patterned surface chemistries are presented. Triangle-like microstructures were used for directional wetting of liquids into a limited sector of the surface. Chemical patterns on top of a nanopillar geometry allowed the patterning of both water and oil droplets. Applications of controlled imbibition in dried droplet mass spectrometry as well as liquid-liquid extraction are also presented.

In this work, we take advantage of injection molding as a high volume and repeatable method to create surface areas for the growth of human mesenchymal stem cells (hMSCs). Ultraviolet lithography, combined with deep reactive ion etching, was used to generate micro-features over a relatively large surface area of a silicon wafer. The micro-featured silicon wafer was used as a mold insert for the micro-injection molding process to create polystyrene and low density polyethylene surfaces. Micro-geometry was used to alter the effective surface stiffness of the polymer substrate. Created samples were characterized via scanning electron microscopy and tensile testing. hMSCs were seeded onto samples for initial studies. Actin and vinculin were visualized through ICC to compare cytoskeletal elements. Changes in cell morphology were examined using ICC. Results indicate that injection molding of microfeatured substrates is a viable technique to produce surfaces amenable to stem cell growth.

In this work, we report the effect of high energy ball milling (HEBM) on Nb doped R2Fe16Nb1 (R= Gd, Er) compounds. The focus of the work is to bring enhancement in magnetic properties of R2Fe17 (2:17) compounds with the ball milling. Specifically, we find that the ball milling increases saturation magnetization, coercivity, and Curie temperature. The increase in the magnetization and Curie temperature upon ball milling is related to the lattice expansion and microstrains while the increase in coercivity is related to the grain refinement.

Eu3+/Tb3+co-doped YBO3 three-dimensional (3D) microstructures have been hydrothermally prepared by adjusting solvent and the molar ratio of Y3+ to B (Y/B) at 180 °C. The whole process was carried out under alkaline conditions without the use of any surfactant or catalyst. Characterizations of the samples are carried out using X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM). The photoluminescence (PL) colors of YBO3 sample co-doped with Eu3+ and Tb3+ under ultraviolet excitation can be tuned from red, through yellow and green-yellow, to green by changing the relative doping concentrations of the two activator ions. These phosphors with multicolor emissions in the visible region be potentially used as labels for light-display systems, optoelectronic devices and biological molecules.

The photoprotection of Chlorophyll-a (Chla) is important for its utilization in light harvesting assemblies. Photodegradation effects seen in the Chla solution appear to be inhibited due to the incorporation of Au nanoparticles. The protecting ability of Chla by AuNPs is the result of their efficient binding with Chla at its nitrogen sites even in dark, thus, inhibiting the reaction of reactive oxygen species with Chla, known to cause its degradation during illumination.

The dissolution of spent nuclear fuel is defined in two different time steps, i) the Instant Release Fraction (IRF) occurring shortly after water contacts the solid spent fuel and responsible of the fast release of those radionuclides that have been accumulated in the zones of the spent fuel pellet with low confinement, such as gap and grain boundaries and ii) the long term release of radionuclides confined in the spent fuel matrix, much slower and dependent on the conditions of the water that contacts the spent fuel.

Several models have been developed to date to explain the dissolution behavior of spent nuclear fuel under disposal conditions. The Matrix Alteration Model (MAM) is one of the most evolved radiolytic models describing the dissolution mechanism in which an Alteration/Dissolution source term model is based on the oxidative dissolution of spent fuel. Under deep repository conditions and at the expected of water contacting time (after 1000 years of spent fuel storage), α radiation will be the main contributor to water radiolysis. In the current study, simulations evaluating the effect of surface area on the alteration/dissolution of spent fuel matrix are performed considering different particle sizes of spent fuel and simulations integrating the actinides dissolution have been performed considering the precipitation of secondary phases.

The effect of Hf on the permanent magnetism of nanocrystalline Zr18-xHfxCo82 ribbons (x = 0, 2, 4, and 6) was investigated by magnetic properties measurement and magnetic force microscopy (MFM). Emphasis is on the local magnetic domain structures in polycrystalline rapidly solidified Zr18-xHfxCo82 ribbons for four different samples with small fractions of Hf dopants (x ≤ 6). The investigation of the magnetic properties of the Zr18-xHfxCo82 ribbons revealed that all the samples under investigation are ferromagnetic at room temperature, and the corresponding MFM images show bright and dark contrast patterns with up-down magnetic domain structures. It is found that the saturation magnetization and the coercivity depend on Hf doping concentration x in the samples. For a sample with Hf concentration x = 4, the maximum energy product (BH)max value is 3.7 MGOe. The short magnetic correlation length of 131 nm and smallest root-mean-square phase shift value of 0.680 were observed for x = 4, which suggests the refinement of the magnetic domain structure due to weak intergranular exchange coupling in this sample. The above results indicate that suitable Hf addition is helpful for the magnetic domain structure refinement, the coecivity enhancement, and the energy-product improvement of this class of rare-earth-free nanocrystalline permanent-magnet materials.

Vanadium oxides thin films with variable oxidation states have attracted great attention due to their unique electrical, optical properties and many important applications in microelectronics, infrared optical devices, and energy harvest systems. However, to fabricate vanadium oxide thin films with controllable phases and desired transport properties is still a challenge by using a chemical solution deposition (CSD) technique. In this paper, we report that vanadium oxide thin films with well controlled phases such as rhombohedral V2O3 and monoclinic VO2 could be synthesized on Al2O3 (0001) substrates using a CSD technique ---- polymer assisted deposition (PAD). Both V2O3 and VO2 thin films can be well controlled with good epitaxial quality by optimizing the fabrication parameters. The electrical resistivity changes 3∼4 orders of magnitude at metal insulator transition for both epitaxial V2O3 and VO2 thin films. The correlation between the physical properties and the microstructures of the films will be discussed.

We present results on an aqueous symmetric double layer electrochemical capacitor (EDLC) constructed with a flexible binder-free single wall carbon (SWCNTs) membrane as electrodes. The capacitors were cycled from 0 to 1V @ 10 A/g for 10,000 cycles with 99.9% coulombic efficiency and 94% energy efficiency, and 100% depth of discharge. The power performance of the aqueous symmetric SWCNTs membrane capacitor is almost 100 –1000 times better than commercial non-aqueous EDLC capacitors.

A newly developed, focused-jet, vertical style electrospinning process was employed to synthesize nanofibers of TiO2 doped with 2% and 2.5% w/v Ag nanoparticles. The as-spun nanofibers were calcined at 510 °C for 24 h in a tube furnace, with a ramp-rate of 5 °C/min, to yield polycrystalline nanofibers. Structural characterization of the prepared nanofibers was done using HR-TEM operated at 200 kV. High-resolution lattice-fringe measurements showed the presence of a mixed-phase anatase and rutile TiO2 nanostructure along with elemental Ag nanoparticles. BET analysis showed an average specific surface-area of 18.31 m2/g for the catalyst nanofibers. To measure the photocatalytic activity, a model compound, rhodamine-B dye, was used. Experimental results showed decay rates of 10.64 x 10-3 min-1 and 12.32 x 10-3 min-1 for the decay of rhodamine-B dye by TiO2/2% Ag and TiO2/2.5% Ag nanoparticles respectively.

A sharp-interface model to study radiation-induced segregation in binary alloy has been developed. This model is based on a set of reaction-diffusion equations for the point defect and atomic species concentrations, with a stochastic, spatially-resolved, discrete defect generation terms representing the cascade damage. An important feature of this model, which is significantly different from the way radiation-induced segregation has been studied in the past, is that the role of the boundaries as defect sinks has been ensured by defining defect-boundary interactions via a set of reaction boundary conditions. Defining defect-boundary interactions in this way makes it possible to capture the process of segregation as a consequence of boundary motion. The model is tested in 2D for Cu-Au solid solution with the material surface being free to move. The Gear method has been used to solve the reaction-diffusion equations. Enrichment of Cu and depletion of Au have been observed near to the boundaries.

Using first-principles density functional theory, we investigated the chemical bonding and electronic structure of the metal-organic-framework with individual structural element OFe4(CO2Ph)6. The calculations showed that there is no obvious structural difference between OFe4(CO2Ph)6 and OZn4(CO2Ph)6. The analysis of electronic structure and chemical bonding reveals that the Fe-O has mainly ionic interaction and partial covalent interaction while O-C, H-C and C-C exhibit mainly covalent interactions. The finding in this paper may shed light on the synthesis of MOF-5 materials with other metal centers.

The most abundant biopolymer, cellulose, occurs as a supra-molecular organisation of poly-glucan chains. The cellulose produced by bacteria has been characterised by various techniques including SEM, AFM, PXRD and SAXS, to elucidate the multi-level organisation. A model has been developed to relate this organisation to the cellulose biosynthetic machinery in bacteria.

(1-x)(Bi0.8Gd0.2)FeO3-xPbTiO3 (BGF-PT) solid solutions ceramics of x=0.55,0.50,0.4975, 0.49 and 0.45 were prepared by the mixed oxide method. Gd3+ of 20 at% was introduced into the Bi3+ site to improve the dielectric and piezoelectric properties of BFPT without causing the significant reduction of Curie temperature (Tc). X-ray diffraction analysis shows a transformation from the tetragonal (T) to rhombohedral (R) phase with the increase of BGF content. The morphotropic phase boundary was determined by measuring the dielectric and piezoelectric properties of BGF-PT within a wide composition range. BGF-PT for x=0.4975 shows the coexistence of T and R phases with the dielectric constant and loss of about 895 and 0.031 respectively at the frequency of 102 Hz.