The Role of Tool Design in Influencing the Mechanism for the Formation of Friction Stir Welds in Aluminum Alloy 7020

Design of the required tool is a key and important parameter in the technique of friction stir welding (FSW). This is so because tool design does exert a close control over the quality of the weld. In an attempt to optimize tool design and its selection, it is essential and desirable to understand the mechanisms governing the formation of the weld. In this research study, few experiments were conducted to systematically analyze the intrinsic mechanisms governing the formation of the weld and to effectively utilize the analysis to establish a logical basis for design of the tool. For this purpose, the experiments were conducted using different geometries of the shoulder and pin of the rotating tool in such a way that only tool geometry had an intrinsic influence on formation of the weld. The results revealed that for a particular diameter of the pin there is an optimum diameter of the shoulder. Below this optimum shoulder diameter, the weld does not form while above the optimum diameter the overall symmetry of the weld is lost. Based on experimental results, a mechanism for the formation of friction stir weld is proposed. A synergism of the experimental results with the proposed mechanism is helpful in establishing the set of welding parameters for a given material.

Three-Component Self-Assembly of a Series of Triply Interlocked Pd12 Coordination Prisms and Their Non-Interlocked Pd6 Analogues

Template-assisted formation of multicomponent Pd6 coordination prisms and formation of their self-templated triply interlocked Pd12 analogues in the absence of an external template have been established in a single step through Pd?N/Pd?O coordination. Treatment of cis-[Pd(en)(NO3)2] with K3tma and linear pillar 4,4'-bpy (en=ethylenediamine, H3tma=benzene-1,3,5-tricarboxylic acid, 4,4'-bpy=4,4'-bipyridine) gave intercalated coordination cage [{Pd(en)}6(bpy)3(tma)2]2[NO3]12 (1) exclusively, whereas the same reaction in the presence of H3tma as an aromatic guest gave a H3tma-encapsulating non-interlocked discrete Pd6 molecular prism [{Pd(en)}6(bpy)3(tma)2(H3tma)2][NO3]6 (2). Though the same reaction using cis-[Pd(NO3)2(pn)] (pn=propane-1,2-diamine) instead of cis-[Pd(en)(NO3)2] gave triply interlocked coordination cage [{Pd(pn)}6(bpy)3(tma)2]2[NO3]12 (3) along with non-interlocked Pd6 analogue [{Pd(pn)}6(bpy)3(tma)2](NO3)6 (3'), and the presence of H3tma as a guest gave H3tma-encapsulating molecular prism [{Pd(pn)}6(bpy)3(tma)2(H3tma)2][NO3]6 (4) exclusively. In solution, the amount of 3' decreases as the temperature is decreased, and in the solid state 3 is the sole product. Notably, an analogous reaction using the relatively short pillar pz (pz=pyrazine) instead of 4,4'-bpy gave triply interlocked coordination cage [{Pd(pn)}6(pz)3(tma)2]2[NO3]12 (5) as the single product. Interestingly, the same reaction using slightly more bulky cis-[Pd(NO3)2(tmen)] (tmen=N,N,N',N'-tetramethylethylene diamine) instead of cis-[Pd(NO3)2(pn)] gave non-interlocked [{Pd(tmen)}6(pz)3(tma)2][NO3]6 (6) exclusively. Complexes 1, 3, and 5 represent the first examples of template-free triply interlocked molecular prisms obtained through multicomponent self-assembly. Formation of the complexes was supported by IR and multinuclear NMR (1H and 13C) spectroscopy. Formation of guest-encapsulating complexes (2 and 4) was confirmed by 2D DOSY and ROESY NMR spectroscopic analyses, whereas for complexes 1, 3, 5, and 6 single-crystal X-ray diffraction techniques unambiguously confirmed their formation. The gross geometries of H3tma-encapsulating complexes 2 and 4 were obtained by universal force field (UFF) simulations.

Estimating the Hausdorff-Besicovitch dimension of boundary of basin of attraction in helicopter trim

Helicopter trim involves solution of nonlinear force equilibrium equations. As in many nonlinear dynamic systems, helicopter trim problem can show chaotic behavior. This chaotic behavior is found in the basin of attraction of the nonlinear trim equations which have to be solved to determine the main rotor control inputs given by the pilot. This study focuses on the boundary of the basin of attraction obtained for a set of control inputs. We analyze the boundary by considering it at different magnification levels. The magnified views reveal intricate geometries. It is also found that the basin boundary exhibits the characteristic of statistical self-similarity, which is an essential property of fractal geometries. These results led the authors to investigate the fractal dimension of the basin boundary. It is found that this dimension is indeed greater than the topological dimension. From all the observations, it is evident that the boundary of the basin of attraction for helicopter trim problem is fractal in nature. (C) 2012 Elsevier Inc. All rights reserved.

Sliding-Mode Guidance and Control for All-Aspect Interceptors with Terminal Angle Constraints

In this paper, sliding-mode-control-based guidance laws to intercept stationary, constant-velocity, and maneuvering targets at a desired impact angle are proposed. The desired impact angle, which is defined in terms of a desired line-of-sight angle, is achieved in finite time by selecting the missile's lateral acceleration to enforce terminal sliding mode on a switching surface designed using nonlinear engagement dynamics. The conditions for capturability are also presented. In addition, by considering a three-degree-of-freedom linear-interceptor dynamic model and by following the procedure used to design a dynamic sliding-mode controller, the interceptor autopilot is designed as a simple static controller to track the lateral acceleration generated by the guidance law. Numerical simulation results are presented to validate the proposed guidance laws and the autopilot design for different initial engagement geometries and impact angles.

PIV study on the dimple mid-plane of a narrow rectangular channel with dimples applied to one wall

This paper presents an investigation of the fluid flow in the fully developed portion of a rectangular channel (Aspect Ratio of 2) with dimples applied to one wall at channel Reynolds numbers of 20,000, 30,000, and 40,000. The dimples are applied in a staggered-row, racetrack configuration. Results for three different dimple geometries are presented: a large dimple, small dimple, and double dimple. Heat transfer and aerodynamic results from preceding works are presented in Nusselt number and friction factor augmentation plots as determined experimentally. Using particle image velocimetry, the region near the dimple feature is studied in detail in the location of the entrainment and ejection of vortical packets into and out of the dimple; the downstream wake region behind each dimple is also studied to examine the effects of the local flow phenomenon that result in improved heat transfer in the areas of the channel wall not occupied by a feature. The focus of the paper is to examine the secondary flows in these dimpled channels in order to support the previously presented heat transfer trends. The flow visualization is also intended to improve the understanding of the flow disturbances in a dimpled channel; a better understanding of these effects would lead the development of more effective channel cooling designs. Copyright © 2011 by ASME.

Multi-Port Network Approach for the Analysis of Dual Band Fractal Microstrip Antennas

The multiport network approach is extended to analyze the behavior of microstrip fractal antennas. The capacitively fedmicrostrip square ring antenna has the side opposite to the feed arm replaced with a fractal Minkowski geometry. Dual frequency operation is achieved by suitably choosing the indentation of this fractal geometry. The width of the two sides adjacent to this is increased to further control the resonant characteristics and the ratio of the two resonance frequencies of this antenna. The impedance matrix for the multiport network model of this antenna is simplified exploiting self-similarity of the geometry with greater accuracy and reduced analysis time. Experimentally validated results confirm utility of the approach in analyzing the input characteristics of similar multi-frequency fractal microstrip antennas with other fractal geometries.

Engagement of CF3 Group in N-H center dot center dot center dot F-C Hydrogen Bond in the Solution State: NMR Spectroscopy and MD Simulation Studies

Unambiguous evidence for the engagement of CF3 group in N-H center dot center dot center dot F-C hydrogen bond in a low polarity solvent, the first observation of its kind, is reported. The presence of such weak molecular interactions in the solution state is convincingly established by one and two-dimensional H-1, F-19, and natural abundant N-15 NMR spectroscopic studies. The strong and direct evidence is derived by the observation of through-space couplings, such as, (1h)J(FH), (1h)J(FN), and (2h)J(FF), where the spin polarization is transmitted through hydrogen bond. In an interesting example of a molecule containing two CF3 groups getting simultaneously involved in hydrogen bond, where hydrogen bond mediated couplings are not reflected in the NMR spectrum, F-19-F-19 NOESY experiment yielded confirmatory evidence. Significant deviations in the strengths of (1)J(NH), variable temperature, and the solvent induced perturbations yielded additional support. The NMR results are corroborated by both DFT calculations and MD simulations, where the quantitative information on different ways of involvement of fluorine in two and three centered hydrogen bonds, their percentage of occurrences, and geometries have been obtained. The hydrogen bond interaction energies have also been calculated.

Analytical solutions for diffuse fluorescence spectroscopy/imaging in biological tissues. Part I: zero and extrapolated boundary conditions

The mathematical model for diffuse fluorescence spectroscopy/imaging is represented by coupled partial differential equations (PDEs), which describe the excitation and emission light propagation in soft biological tissues. The generic closed-form solutions for these coupled PDEs are derived in this work for the case of regular geometries using the Green's function approach using both zero and extrapolated boundary conditions. The specific solutions along with the typical data types, such as integrated intensity and the mean time of flight, for various regular geometries were also derived for both time-and frequency-domain cases. (C) 2013 Optical Society of America

Analytical solutions for diffuse fluorescence spectroscopy/imaging in biological tissues. Part II: comparison and validation

The analytical solutions for the coupled diffusion equations that are encountered in diffuse fluorescence spectroscopy/ imaging for regular geometries were compared with the well-established numerical models, which are based on the finite element method. Comparison among the analytical solutions obtained using zero boundary conditions and extrapolated boundary conditions (EBCs) was also performed. The results reveal that the analytical solutions are in close agreement with the numerical solutions, and solutions obtained using EBCs are more accurate in obtaining the mean time of flight data compared to their counterpart. The analytical solutions were also shown to be capable of providing bulk optical properties through a numerical experiment using a realistic breast model. (C) 2013 Optical Society of America

Borocarbonitrides, BxCyNz

Various forms of carbon, especially the nanocarbons, have received considerable attention in recent years. There has also been some effort to investigate borocarbonitrides, BxCyNz, comprising besides carbon, the two elements on either side. Although uniformly homogeneous compositions of borocarbonitrides may be difficult to generate, there have been attempts to prepare them by solid state as well as gas phase reactions. Some of the products so obtained show evidence for the presence of BCN networks. Then, there are composites (G-BN) containing hexagonal BN (h-BN) and graphene (G) domains, G(1-x)(BN)(x), in varying proportions. Nanotubes of BxCyNz have been reported by several workers. The borocarbonitrides exhibit some interesting electronic and gas adsorption properties. Thus, some of the preparations show selective CO2 adsorption. They also exhibit excellent characteristics for supercapacitor applications. In order to understand the nature of these understudied materials, it is necessary to examine the results from first-principles calculations. These calculations throw light on the variation in the band gap of G-BN with the concentration of h-BN, for different geometries of the domains and their boundaries. The possibility of formation of Stone-Wales (SW) defects at the interfaces of graphene and h-BN has been studied and the estimates of the formation energies of SW defects at the interfaces are similar to 4 to 6 eV. The presence of such defects at the interfaces influences the electronic structure near the band gap and the associated properties. For example, adsorption of CH4 and CO2 occurs with significantly stronger binding at the interfacial defects.

A new 3D cadmium(II) coordination polymer having mu(4)-oxalato, mu-aquo and mu-chlorido bridges: crystal structure, solid state fluorescence and thermal behavior

A new 3D cadmium(II) coordination polymer, Cd(C2O4)(0.5)Cl(H2O)](n) (1) has been synthesized from a mixture of CdCl2. H2O and (NH4)(2)C2O4 in a slightly acidic pH. Its molecular structure was determined by single crystal X-ray diffraction which reveals that the new polymeric structure consists of simultaneous mu(4)-oxalato, mu-aquo, and mu-chlorido bridges between the metal centers, embedded in distorted pentagonal bipyramidal geometries. On thermal analysis compound exhibits high thermal stability up to 330 degrees C. Compound 1 also exhibits strong fluorescent emission. (c) 2013 Elsevier B.V. All rights reserved.

MODELING AND SIMULATION OF HYDRODYNAMIC INTERACTION OF DNA IN A MICRO-FLUIDIC CHANNEL

The motion of DNA (in the bulk solution) and the non-Newtonian effective fluid behavior are considered separately and self-consistently with the fluid motion satisfying the no-slip boundary condition on the surface of the confining geometry in the presence of channel pressure gradients. A different approach has been developed to model DNA in the micro-channel. In this study the DNA is assumed as an elastic chain with its characteristic Young's modulus, Poisson's ratio and density. The force which results from the fluid dynamic pressure, viscous forces and electromotive forces is applied to the elastic chain in a coupled manner. The velocity fields in the micro-channel are influenced by the transport properties. Simulations are carried out for the DNAs attached to the micro-fluidic wall. Numerical solutions based on a coupled multiphysics finite element scheme are presented. The modeling scheme is derived based on mass conservation including biomolecular mass, momentum balance including stress due to Coulomb force field and DNA-fluid interaction, and charge transport associated to DNA and other ionic complexes in the fluid. Variation in the velocity field for the non-Newtonian flow and the deformation of the DNA strand which results from the fluid-structure interaction are first studied considering a single DNA strand. Motion of the effective center of mass is analyzed considering various straight and coil geometries. Effects of DNA statistical parameters (geometry and spatial distribution of DNAs along the channel) on the effective flow behavior are analyzed. In particular, the dynamics of different DNA physical properties such as radius of gyration, end-to-end length etc. which are obtained from various different models (Kratky-Porod, Gaussian bead-spring etc.) are correlated to the nature of interaction and physical properties under the same background fluid environment.

Energy Hyperspace for Stacking Interaction in AU/AU Dinucleotide Step: Dispersion-Corrected Density Functional Theory Study

Double helical structures of DNA and RNA are mostly determined by base pair stacking interactions, which give them the base sequence-directed features, such as small roll values for the purine-pyrimidine steps. Earlier attempts to characterize stacking interactions were mostly restricted to calculations on fiber diffraction geometries or optimized structure using ab initio calculations lacking variation in geometry to comment on rather unusual large roll values observed in AU/AU base pair step in crystal structures of RNA double helices. We have generated stacking energy hyperspace by modeling geometries with variations along the important degrees of freedom, roll, and slide, which were chosen via statistical analysis as maximally sequence dependent. Corresponding energy contours were constructed by several quantum chemical methods including dispersion corrections. This analysis established the most suitable methods for stacked base pair systems despite the limitation imparted by number of atom in a base pair step to employ very high level of theory. All the methods predict negative roll value and near-zero slide to be most favorable for the purine-pyrimidine steps, in agreement with Calladine's steric clash based rule. Successive base pairs in RNA are always linked by sugar-phosphate backbone with C3-endo sugars and this demands C1-C1 distance of about 5.4 angstrom along the chains. Consideration of an energy penalty term for deviation of C1-C1 distance from the mean value, to the recent DFT-D functionals, specifically B97X-D appears to predict reliable energy contour for AU/AU step. Such distance-based penalty improves energy contours for the other purine-pyrimidine sequences also. (c) 2013 Wiley Periodicals, Inc. Biopolymers 101: 107-120, 2014.

Experimental Investigation of Heat Fluxes in the Vicinity of Protuberances on a Flat Plate at Hypersonic Speeds

Heat transfer rates measured in front and to the side of a protrusion on an aluminum flat plate subjected to hypersonic flow at zero angle of attack are presented for two flow enthalpies of approximately 2 MJ/kg and 4.5 MJ/kg. Experiments were conducted in the hypersonic shock tunnel (HST2) and free piston driven HST3 at a freestream Mach number of 8. Heat transfer data was obtained for different geometries of the protrusion of a height of 4 mm, which is approximately the local boundary layer thickness. Comparatively high rates of heat transfer were obtained at regions of flow circulation in the separated region, with the hottest spot generally appearing in front of the protuberance. Experimental values showed moderate agreement with existing empirical correlations at higher enthalpy but not at all for the lower enthalpy condition, although the correlations were coined at enthalpy values nearer to the lower value. Schlieren visualization was also done to investigate the flow structures qualitatively.

Patterned growth and differentiation of neural cells on polymer derived carbon substrates with micro/nano structures in vitro

The growth of neuroblastoma (N2a) and Schwann cells has been explored on polymer derived carbon substrates of varying micro and nanoscale geometries: resorcinol-formaldehyde (RE) gel derived carbon films and electrospun nanofibrous (similar to 200 nm diameter) mat and SU-8 (a negative photoresist) derived carbon micro-patterns. MTT assay and complementary lactate dehydrogenase (LDH) assay established cytocompatibility of RE derived carbon films and fibers over a period of 6 days in culture. The role of length scale of surface patterns in eliciting lineage-specific adaptive response along, across and on the interspacing between adjacent micropatterns (i.e., ``on'', ``across'' and ``off'') has been assayed. Textural features were found to affect 3',5'-cyclic AMP sodium salt-induced neurite outgrowth, over a wide range of length scales: from similar to 200 nm (carbon fibers) to similar to 60 mu m (carbon patterns). Despite their innate randomness, carbon nanofibers promoted preferential differentiation of N2a cells into neuronal lineage, similar to ordered micro-patterns. Our results, for the first time, conclusively demonstrate the potential of RE-gel and SU-8 derived carbon substrates as nerve tissue engineering platforms for guided proliferation and differentiation of neural cells in vitro. (C) 2013 Elsevier Ltd. All rights reserved.