Effect of fluid medium on mechanical behavior of carbon nanotube foam

This study reports the constitutive response and energy absorption capabilities of fluid-impregnated carbon nanotube (CNT) foams under compressive loading as a function of fluid viscosity and loading rates. At all strain rates tested, we observe two characteristic regimes: below a critical value, increasing fluid viscosity increases the load bearing and energy absorption capacities; after a critical value of the fluid's viscosity, we observe a rapid decrease in the systems' mechanical performance. For a given fluid viscosity, the load bearing capacity of the structure slightly decreases with strain rate. A phenomenological model, accounting for fluid-CNT interaction, is developed to explain the observed mechanical behavior. (C) 2014 AIP Publishing LLC.

Asymptotic expansions for wavenumbers in orthotropic fluid-filled circular cylindrical shells for intermediate fluid loading

Coupled wavenumbers in infinite fluid-filled isotropic and orthotropic cylindrical shells are considered. Using the Donnell-Mushtari (DM) theory for thin shells, compact and elegant asymptotic expansions for the wavenumbers are found at an intermediate fluid loading for both the coupled rigid-duct modes (''fluid-originated'') and the coupled structural wavenumbers (''structure-originated modes'') over the entire frequency range where DM theory is valid. The coupled rigid-duct expansions are found to be valid for O(1) orthotropy and for all circumferential orders, whereas the coupled structural wavenumber expansions are valid for small orthotropy and for low circumferential orders. These two above results are then used to derive the expansions for a set of multiple complex roots that display a locking behavior at this intermediate fluid-loading. The expansions are matched with the numerical solutions of the coupled dispersion relation and the match is found to be good over most of the frequency range. (C) 2014 Acoustical Society of America.

Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study

An experimental charge-density analysis of pyrazinamide (a first line antitubercular drug) was performed using high-resolution X-ray diffraction data (sin theta/lambda)(max) = 1.1 angstrom(-1)] measured at 100 (2) K. The structure was solved by direct methods using SHELXS97 and refined by SHELXL97. The total electron density of the pyrazinamide molecule was modeled using the Hansen-Coppens multipole formalism implemented in the XD software. The topological properties of electron density determined from the experiment were compared with the theoretical results obtained from CRYSTAL09 at the B3LYP/6-31G** level of theory. The crystal structure was stabilized by N-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds, in which the N3-H3B center dot center dot center dot N1 and N3-H3A center dot center dot center dot O1 interactions form two types of dimers in the crystal. Hirshfeld surface analysis was carried out to analyze the intermolecular interactions. The fingerprint plot reveals that the N center dot center dot center dot H and O center dot center dot center dot H hydrogen-bonding interactions contribute 26.1 and 18.4%, respectively, of the total Hirshfeld surface. The lattice energy of the molecule was calculated using density functional theory (B3LYP) methods with the 6-31G** basis set. The molecular electrostatic potential of the pyrazinamide molecule exhibits extended electronegative regions around O1, N1 and N2. The existence of a negative electrostatic potential (ESP) region just above the upper and lower surfaces of the pyrazine ring confirm the pi-electron cloud.

Fourier spectrum based extraction of an equivalent trap state density in indium gallium zinc oxide transistors

Segregating the dynamics of gate bias induced threshold voltage shift, and in particular, charge trapping in thin film transistors (TFTs) based on time constants provides insight into the different mechanisms underlying TFTs instability. In this Letter we develop a representation of the time constants and model the magnitude of charge trapped in the form of an equivalent density of created trap states. This representation is extracted from the Fourier spectrum of the dynamics of charge trapping. Using amorphous In-Ga-Zn-O TFTs as an example, the charge trapping was modeled within an energy range of Delta E-t approximate to 0.3 eV and with a density of state distribution as D-t(Et-j) = D-t0 exp(-Delta E-t/kT) with D-t0 = 5.02 x 10(11) cm(-2) eV(-1). Such a model is useful for developing simulation tools for circuit design. (C) 2014 AIP Publishing LLC.

In vitro osteogenic cell proliferation, mineralization, and in vivo osseointegration of injection molded high-density polyethylene-based hybrid composites in rabbit animal model

The present work reports the biocompatibility property of injection molded HDPE-HA-Al2O3 hybrid composites. In vitro cytocompatibility results reveal that osteogenic cell viability and bone mineralization are favorably supported in a statistically significant manner on HDPE-20% HA-20% Al2O3 composite, in comparison to HDPE-40 wt.% HA or HDPE-40 wt.% Al2O3. The difference in cytocompatibility property is explained in terms of difference in substrate wettability/surface energy and importantly, both the cell proliferation at 7 days or bone mineralization at 21 days on HDPE-20% HA-20% Al2O3 composite are either comparable or better than sintered HA. The progressive healing of cylindrical femoral bone defects in rabbit animal model was assessed by implantation experiments over 1, 4 and 12 weeks. Based on the histological analysis as well as histomorphometrical evaluation, a better efficacy of HDPE-20% HA-20% Al2O3 over high-density polyethylene (HDPE) for bone regeneration and neobone formation at host bone-implant interface was established. Taken together, the present study unequivocally establishes that despite the presence of 20% Al2O3, HDPE-based hybrid composites are as biocompatible as HA in vitro or better than HDPE in vivo.

Revised density of magnetized nuclear matter at the neutron drip line

We study the onset of the neutron drip in high-density matter in the presence of a magnetic field. It has been found that, for systems having only protons and electrons, in the presence of a magnetic field greater than or similar to 10(15) G, neutronization occurs at a density that is at least an order of magnitude higher compared to that in a nonmagnetic system. In a system with heavier ions, the effect of the magnetic field, however, starts arising at a much higher field, greater than or similar to 10(17) G. These results may have important implications for high-magnetic-field neutron stars and white dwarfs and, in general, in nuclear astrophysics when the system is embedded within a strong magnetic field.

Impact of spray flux density and vacuum annealing on the transparent conducting properties of doubly doped (Sn plus F) zinc oxide films deposited using a simplified spray technique

In this investigation transparent conducting properties of as-deposited and annealed ZnO:Sn:F films deposited using different spray flux density by changing the solvent volume (10 mL, 20 mL ... 50 mL) of the starting solutions have been studied and reported. The structural analyses of the films indicate that all the films have hexagonal wurtzite structure of ZnO with preferential orientation along (002) plane irrespective of the solvent volume and annealing treatment whereas, the overall crystalline quality of the films is found to be enhanced with the increase in solvent volume as well as with annealing. This observed enhancement is strongly supported by the optical and surface morphological results. From the measurements of electrical parameters, it is seen that, the annealed films exhibit better electrical properties compared to the as-deposited ones. Annealing has caused agglomeration of grains as confirmed by the surface morphological studies. Also, the annealing process has led to an improvement in the optical transparency as well as band gap. It is found from the analyses of the characteristics of the as- deposited and annealed films that the annealed film deposited from starting solution having solvent volume of 50 mL is optimal in all respects, as it possesses all the desirable characteristics including the quality factor (1.60 x 10(-4) (Omega/sq.)(-1)). (C) 2014 Elsevier Ltd. All rights reserved.

Magnetic field induced tailoring of mechanical behavior of fluid filled micro porous carbon nanotube foam

Compressive loading of the carbon nanotube (CNT) has attracted much attention due to its entangled cellular like structure (CNT foam). This report investigates the mechanical behavior of magnetorheological fluid impregnated micro porous CNT foam that has not been realized before at this scale. Compressive behavior of CNT foam is found to greatly depend on the variation in both fluid viscosity as well as magnetic field intensity. Moreover, maximum achieved stress and energy absorption in CNT foam followed a power law behavior with the magnetic field intensity. Magnetic field induced movement of both CNT and iron oxide particles along the field direction is shown to dominate compressive behavior of CNT foam over highly attractive van der Waals forces between individual CNT. Therefore, this study demonstrates a method for tailoring the mechanical behavior of the fluid impregnated CNT foam. (C) 2014 AIP Publishing LLC.

Cu-II-Azide Polynuclear Complexes of Three Different Building Clusters with the Same Schiff-Base Ligand: Synthesis, Structures, Magnetic Behavior, and Density Functional Theory Studies

Three copper-azido complexes Cu-4(N-3)(8)(L-1)(2)(MeOH)(2)](n) (1), Cu-4(N-3)(8)(L-1)(2)] (2), and Cu-5(N-3)(10)(L-1)(2)](n) (3) L-1 is the imine resulting from the condensation of pyridine-2-carboxaldehyde with 2-(2-pyridyl)ethylamine] have been synthesized using lower molar equivalents of the Schiff base ligand with Cu(NO3)(2)center dot 3H(2)O and an excess of NaN3. Single crystal X-ray structures show that the basic unit of the complexes 1 and 2 contains Cu-4(II) building blocks; however, they have distinct basic and overall structures due to a small change in the bridging mode of the peripheral pair of copper atoms in the linear tetranudear structures. Interestingly, these changes are the result of changing the solvent system (MeOH/H2O to EtOH/H2O) used for the synthesis, without changing the proportions of the components (metal to ligand ratio 2:1). Using even lower proportions of the ligand, another unique complex was isolated with Cu-5(II) building units, forming a two-dimensional complex (3). Magnetic susceptibility measurements over a wide range of temperature exhibit the presence of both antiferromagnetic (very weak) and ferromagnetic exchanges within the tetranuclear unit structures. Density functional theory calculations (using B3LYP functional, and two different basis sets) have been performed on the complexes 1 and 2 to provide a qualitative theoretical interpretation of their overall magnetic behavior.

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers

Low-density nanostructured foams are often limited in applications due to their low mechanical and thermal stabilities. Here we report an approach of building the structural units of three-dimensional (3D) foams using hybrid two-dimensional (2D) atomic layers made of stacked graphene oxide layers reinforced with conformal hexagonal boron nitride (h-BN) platelets. The ultra-low density (1/400 times density of graphite) 3D porous structures are scalably synthesized using solution processing method. A layered 3D foam structure forms due to presence of h-BN and significant improvements in the mechanical properties are observed for the hybrid foam structures, over a range of temperatures, compared with pristine graphene oxide or reduced graphene oxide foams. It is found that domains of h-BN layers on the graphene oxide framework help to reinforce the 2D structural units, providing the observed improvement in mechanical integrity of the 3D foam structure.

Dense shallow granular flows

Simplified equations are derived for a granular flow in the `dense' limit where the volume fraction is close to that for dynamical arrest, and the `shallow' limit where the stream-wise length for flow development (L) is large compared with the cross-stream height (h). The mass and diameter of the particles are set equal to 1 in the analysis without loss of generality. In the dense limit, the equations are simplified by taking advantage of the power-law divergence of the pair distribution function chi proportional to (phi(ad) - phi)(-alpha), and a faster divergence of the derivativ rho(d chi/d rho) similar to (d chi/d phi), where rho and phi are the density and volume fraction, and phi(ad) is the volume fraction for arrested dynamics. When the height h is much larger than the conduction length, the energy equation reduces to an algebraic balance between the rates of production and dissipation of energy, and the stress is proportional to the square of the strain rate (Bagnold law). In the shallow limit, the stress reduces to a simplified Bagnold stress, where all components of the stress are proportional to (partial derivative u(x)/partial derivative y)(2), which is the cross-stream (y) derivative of the stream-wise (x) velocity. In the simplified equations for dense shallow flows, the inertial terms are neglected in the y momentum equation in the shallow limit because the are O(h/L) smaller than the divergence of the stress. The resulting model contains two equations, a mass conservation equations which reduces to a solenoidal condition on the velocity in the incompressible limit, and a stream-wise momentum equation which contains just one parameter B which is a combination of the Bagnold coefficients and their derivatives with respect to volume fraction. The leading-order dense shallow flow equations, as well as the first correction due to density variations, are analysed for two representative flows. The first is the development from a plug flow to a fully developed Bagnold profile for the flow down an inclined plane. The analysis shows that the flow development length is ((rho) over barh(3)/B) , where (rho) over bar is the mean density, and this length is numerically estimated from previous simulation results. The second example is the development of the boundary layer at the base of the flow when a plug flow (with a slip condition at the base) encounters a rough base, in the limit where the momentum boundary layer thickness is small compared with the flow height. Analytical solutions can be found only when the stream-wise velocity far from the surface varies as x(F), where x is the stream-wise distance from the start of the rough base and F is an exponent. The boundary layer thickness increases as (l(2)x)(1/3) for all values of F, where the length scale l = root 2B/(rho) over bar. The analysis reveals important differences between granular flows and the flows of Newtonian fluids. The Reynolds number (ratio of inertial and viscous terms) turns out to depend only on the layer height and Bagnold coefficients, and is independent of the flow velocity, because both the inertial terms in the conservation equations and the divergence of the stress depend on the square of the velocity/velocity gradients. The compressibility number (ratio of the variation in volume fraction and mean volume fraction) is independent of the flow velocity and layer height, and depends only on the volume fraction and Bagnold coefficients.

The generalized Onsager model for a binary gas mixture

The Onsager model for the secondary flow field in a high-speed rotating cylinder is extended to incorporate the difference in mass of the two species in a binary gas mixture. The base flow is an isothermal solid-body rotation in which there is a balance between the radial pressure gradient and the centrifugal force density for each species. Explicit expressions for the radial variation of the pressure, mass/mole fractions, and from these the radial variation of the viscosity, thermal conductivity and diffusion coefficient, are derived, and these are used in the computation of the secondary flow. For the secondary flow, the mass, momentum and energy equations in axisymmetric coordinates are expanded in an asymptotic series in a parameter epsilon = (Delta m/m(av)), where Delta m is the difference in the molecular masses of the two species, and the average molecular mass m(av) is defined as m(av) = (rho(w1)m(1) + rho(w2)m(2))/rho(w), where rho(w1) and rho(w2) are the mass densities of the two species at the wall, and rho(w) = rho(w1) + rho(w2). The equation for the master potential and the boundary conditions are derived correct to O(epsilon(2)). The leading-order equation for the master potential contains a self-adjoint sixth-order operator in the radial direction, which is different from the generalized Onsager model (Pradhan & Kumaran, J. Fluid Mech., vol. 686, 2011, pp. 109-159), since the species mass difference is included in the computation of the density, viscosity and thermal conductivity in the base state. This is solved, subject to boundary conditions, to obtain the leading approximation for the secondary flow, followed by a solution of the diffusion equation for the leading correction to the species mole fractions. The O(epsilon) and O(epsilon(2)) equations contain inhomogeneous terms that depend on the lower-order solutions, and these are solved in a hierarchical manner to obtain the O(epsilon) and O(epsilon(2)) corrections to the master potential. A similar hierarchical procedure is used for the Carrier-Maslen model for the end-cap secondary flow. The results of the Onsager hierarchy, up to O(epsilon(2)), are compared with the results of direct simulation Monte Carlo simulations for a binary hard-sphere gas mixture for secondary flow due to a wall temperature gradient, inflow/outflow of gas along the axis, as well as mass and momentum sources in the flow. There is excellent agreement between the solutions for the secondary flow correct to O(epsilon(2)) and the simulations, to within 15 %, even at a Reynolds number as low as 100, and length/diameter ratio as low as 2, for a low stratification parameter A of 0.707, and when the secondary flow velocity is as high as 0.2 times the maximum base flow velocity, and the ratio 2 Delta m/(m(1) + m(2)) is as high as 0.5. Here, the Reynolds number Re = rho(w)Omega R-2/mu, the stratification parameter A = root m Omega R-2(2)/(2k(B)T), R and Omega are the cylinder radius and angular velocity, m is the molecular mass, rho(w) is the wall density, mu is the viscosity and T is the temperature. The leading-order solutions do capture the qualitative trends, but are not in quantitative agreement.

Low-Density Steels: The Effect of Al Addition on Microstructure and Properties

Density reduction of automotive steels is needed to reduce fuel consumption, thereby reducing greenhouse gas emissions. Aluminum addition has been found to be effective in making steels lighter. Such an addition does not change the crystal structure of the material. Steels modified with aluminum possess higher strength with very little compromise in ductility. In this work, different compositions of Fe-Al systems have been studied so that the desired properties of the material remain within the limit. A density reduction of approximately 10% has been achieved. The specific strength of optimal Fe-Al alloys is higher than conventional steels such as ultra-low-carbon steels.

An improved free surface modeling for incompressible SPH

In Incompressible Smooth Particle Hydrodynamics (ISPH), a pressure Poisson equation (PPE) is solved to obtain a divergence free velocity field. When free surfaces are simulated using this method a Dirichlet boundary condition for pressure at the free surface has to be applied. In existing ISPH methods this is achieved by identifying free surface particles using heuristically chosen threshold of a parameter such as kernel sum, density or divergence of the position, and explicitly setting their pressure values. This often leads to clumping of particles near the free surface and spraying off of surface particles during splashes. Moreover, surface pressure gradients in flows where surface tension is important are not captured well using this approach. We propose a more accurate semi-analytical approach to impose Dirichlet boundary conditions on the free surface. We show the efficacy of the proposed algorithm by using test cases of elongation of a droplet and dam break. We perform two dimensional simulations of water entry and validate the proposed algorithm with experimental results. Further, a three dimensional simulation of droplet splash is shown to compare well with the Volume-of-Fluid simulations. (C) 2014 Elsevier Ltd. All rights reserved.

Self-Assembled, Aligned ZnO Nanorod Buffer Layers for High-Current-Density, Inverted Organic Photovoltaics

Two different soft-chemical, self-assembly-based solution approaches are employed to grow zinc oxide (ZnO) nanorods with controlled texture. The methods used involve seeding and growth on a substrate. Nanorods with various aspect ratios (1-5) and diameters (15-65 nm) are grown. Obtaining highly oriented rods is determined by the way the substrate is mounted within the chemical bath. Furthermore, a preheat and centrifugation step is essential for the optimization of the growth solution. In the best samples, we obtain ZnO nanorods that are almost entirely oriented in the (002) direction; this is desirable since electron mobility of ZnO is highest along this crystallographic axis. When used as the buffer layer of inverted organic photovoltaics (I-OPVs), these one-dimensional (1D) nanostructures offer: (a) direct paths for charge transport and (b) high interfacial area for electron collection. The morphological, structural, and optical properties of ZnO nanorods are studied using scanning electron microscopy, X-ray diffraction, and ultraviolet-visible light (UV-vis) absorption spectroscopy. Furthermore, the surface chemical features of ZnO films are studied using X-ray photoelectron spectroscopy and contact angle measurements. Using as-grown ZnO, inverted OPVs are fabricated and characterized. For improving device performance, the ZnO nanorods are subjected to UV-ozone irradiation. UV-ozone treated ZnO nanorods show: (i) improvement in optical transmission, (ii) increased wetting of active organic components, and (iii) increased concentration of Zn-O surface bonds. These observations correlate well with improved device performance. The devices fabricated using these optimized buffer layers have an efficiency of similar to 3.2% and a fill factor of 0.50; this is comparable to the best I-OPVs reported that use a P3HT-PCBM active layer.