A structural and spectroscopic investigation of reduced graphene oxide under high pressure

The effect of high pressure on reduced graphene oxide (RGO) has been investigated using X-ray diffraction (XRD) and infrared (IR) absorption spectroscopy. Our XRD measurements show two-step reversible compression in the inter-layer spacing of RGO whereas intra-layer ordering exhibits a high pressure behavior similar to that of graphite up to 20 GPa. The line shape analysis of (100) peak, representing the intra-layer ordering, suggests presence of local out of plane distortions in RGO in the form of puckered regions which progressively straighten out as a function of pressure. IR measurements show reversible changes in spectroscopic features attributed to remnant functional groups in the inter-layer region. These measurements suggest high stability and recovering ability of RGO under pressure cycling. (C) 2014 Elsevier Ltd. All rights reserved.

Packaging of Polyvinylidene fluoride nasal sensor for biomedical applications

This paper presents the design technique that has been adopted for packaging of Polyvinylidene fluoride (PVDF) nasal sensor for biomedical applications. The PVDF film with the dimension of length 10mm, width 5mm and thickness 28 mu m was firmly adhered on one end of plastic base (8mmx5mmx30 mu m) in such a way that it forms a cantilever configuration leaving the other end free for deflection. Now with the leads attached on the surface of the PVDF film, the cantilever configuration becomes the PVDF nasal sensor. For mounting a PVDF nasal sensor, a special headphone was designed, that can fit most of the human head sizes. Two flexible strings are soldered on either side of the headphone. Two identical PVDF nasal sensors were then connected to either side of flexible string of the headphone in such a way that they are placed below the right and left nostrils respectively without disturbing the normal breathing. When a subject wares headphone along with PVDF nasal sensors, two voltage signals due to the piezoelectric property of the PVDF film were generated corresponding to his/her nasal airflow from right and left nostril. The entire design was made compact, so that PVDF nasal sensors along with headphone can be made portable. No special equipment or machines are needed for mounting the PVDF nasal sensors. The time required for packaging of PVDF nasal sensors was less and the approximate cost of the entire assembly (PVDF nasal sensors + headphone) was very nominal.

Studies on an improved indigenous pressure wave generator and its testing with a pulse tube cooler

Earlier version of an indigenously developed Pressure Wave Generator (PWG) could not develop the necessary pressure ratio to satisfactorily operate a pulse tube cooler, largely due to high blow by losses in the piston cylinder seal gap and due to a few design deficiencies. Effect of different parameters like seal gap, piston diameter, piston stroke, moving mass and the piston back volume on the performance is studied analytically. Modifications were done to the PWG based on analysis and the performance is experimentally measured. A significant improvement in PWG performance is seen as a result of the modifications. The improved PWG is tested with the same pulse tube cooler but with different inertance tube configurations. A no load temperature of 130 K is achieved with an inertance tube configuration designed using Sage software. The delivered PV power is estimated to be 28.4 W which can produce a refrigeration of about 1 W at 80 K.

A Vision-Based Micro-Newton Static Force Sensor Using a Displacement-Amplifying Compliant Mechanism (DaCM)

A micro-newton static force sensor is presented here as a packaged product. The sensor, which is based on the mechanics of deformable objects, consists of a compliant mechanism that amplifies the displacement caused by the force that is to be measured. The output displacement, captured using a digital microscope and analyzed using image processing techniques, is used to calculate the force using precalibrated force-displacement curve. Images are scanned in real time at a frequency of 15 frames per second and sampled at around half the scanning frequency. The sensor was built, packaged, calibrated, and tested. It has simulated and measured stiffness values of 2.60N/m and 2.57N/m, respectively. The smallest force it can reliably measure in the presence of noise is about 2 mu N over a range of 1.4mN. The off-the-shelf digital microscope aside, all of its other components are purely mechanical; they are inexpensive and can be easily made using simple machines. Another highlight of the sensor is that its movable and delicate components are easily replaceable. The sensor can be used in aqueous environment as it does not use electric, magnetic, thermal, or any other fields. Currently, it can only measure static forces or forces that vary at less than 1Hz because its response time and bandwidth are limited by the speed of imaging with a camera. With a universal serial bus (USB) connection of its digital microscope, custom-developed graphical user interface (GUI), and related software, the sensor is fully developed as a readily usable product.

Accurate point matching based on multi-objective Genetic Algorithm for multi-sensor satellite imagery

This paper investigates a novel approach for point matching of multi-sensor satellite imagery. The feature (corner) points extracted using an improved version of the Harris Corner Detector (HCD) is matched using multi-objective optimization based on a Genetic Algorithm (GA). An objective switching approach to optimization that incorporates an angle criterion, distance condition and point matching condition in the multi-objective fitness function is applied to match corresponding corner-points between the reference image and the sensed image. The matched points obtained in this way are used to align the sensed image with a reference image by applying an affine transformation. From the results obtained, the performance of the image registration is evaluated and compared with existing methods, namely Nearest Neighbor-Random SAmple Consensus (NN-Ran-SAC) and multi-objective Discrete Particle Swarm Optimization (DPSO). From the performed experiments it can be concluded that the proposed approach is an accurate method for registration of multi-sensor satellite imagery. (C) 2014 Elsevier Inc. All rights reserved.

Flame surface statistics of constant-pressure turbulent expanding premixed flames

In this paper we investigate the local flame surface statistics of constant-pressure turbulent expanding flames. First the statistics of local length ratio is experimentally determined from high-speed planar Mie scattering images of spherically expanding flames, with the length ratio on the measurement plane, at predefined equiangular sectors, defined as the ratio of the actual flame length to the length of a circular-arc of radius equal to the average radius of the flame. Assuming isotropic distribution of such flame segments we then convolute suitable forms of the length-ratio probability distribution functions (pdfs) to arrive at the corresponding area-ratio pdfs. It is found that both the length ratio and area ratio pdfs are near log-normally distributed and shows self-similar behavior with increasing radius. Near log-normality and rather intermittent behavior of the flame-length ratio suggests similarity with dissipation rate quantities which stimulates multifractal analysis. (C) 2014 AIP Publishing LLC.

Scaling of pressure spectrum in turbulent boundary layers

Scaling of pressure spectrum in zero-pressure-gradient turbulent boundary layers is discussed. Spatial DNS data of boundary layer at one time instant (Re-theta = 4500) are used for the analysis. It is observed that in the outer regions the pressure spectra tends towards the -7/3 law predicted by Kolmogorov's theory of small-scale turbulence. The slope in the pressure spectra varies from -1 close to the wall to a value close to -7/3 in the outer region. The streamwise velocity spectra also show a -5/3 trend in the outer region of the flow. The exercise carried out to study the amplitude modulation effect of the large scales on the smaller ones in the near-wall region reveals a strong modulation effect for the streamwise velocity, but not for the pressure fluctuations. The skewness of the pressure follows the same trend as the amplitude modulation coefficient, as is the case for the velocity. In the inner region, pressure spectra were seen to collapse better when normalized with the local Reynolds stress (-(u'v') over bar) than when scaled with the local turbulent kinetic energy (q(2) = (u'(2)) over bar + (v'(2)) over bar + (w'(2)) over bar)

Colorimetric anion sensor based on receptor having indole- and thiourea-binding sites

A new colorimetric sensor L containing nitro-substituted indole and bisthiocarbonohydrazone units for selective fluoride and acetate ions is designed and synthesized. The receptor L shows well-defined color change in the visible region of the spectrum with an absorption band at similar to 515 nm and 506 nm, respectively, for the F- and CH3COO- ions in an acetonitrile solution. Job's plots indicated the formation of 1 : 1 (L with CH3COO-) and 1 : 2 (L with F-) complexes. The interaction of L with the F- ion undergoes a deprotonation process and release of HX2](-), whereas with the CH3COO- ion, it forms a stable LH2(...)X](-) complex. The relative affinities of the anions with L are rationalized using computational studies.

Pressure-Induced Bond Rearrangement and Reversible Phase Transformation in a Metal-Organic Framework

Pressure-induced phase transformations (PIPTs) occur in a wide range of materials. In general, the bonding characteristics, before and after the PIPT, remain invariant in most materials, and the bond rearrangement is usually irreversible due to the strain induced under pressure. A reversible PIPT associated with a substantial bond rearrangement has been found in a metal-organic framework material, namely tmenH(2)]Er(HCOO)(4)](2) (tmenH(2)(2+) = N,N,N',N'-tetramethylethylenediammonium). The transition is first-order and is accompanied by a unit cell volume change of about 10%. High-pressure single-crystal X-ray diffraction studies reveal the complex bond rearrangement through the transition. The reversible nature of the transition is confirmed by means of independent nanoindentation measurements on single crystals.

Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide

Molybdenum disulphide is a layered transition metal dichalcogenide that has recently raised considerable interest due to its unique semiconducting and opto-electronic properties. Although several theoretical studies have suggested an electronic phase transition in molybdenum disulphide, there has been a lack of experimental evidence. Here we report comprehensive studies on the pressure-dependent electronic, vibrational, optical and structural properties of multilayered molybdenum disulphide up to 35 GPa. Our experimental results reveal a structural lattice distortion followed by an electronic transition from a semiconducting to metallic state at similar to 19 GPa, which is confirmed by ab initio calculations. The metallization arises from the overlap of the valance and conduction bands owing to sulphur-sulphur interactions as the interlayer spacing reduces. The electronic transition affords modulation of the opto-electronic gain in molybdenum disulphide. This pressure-tuned behaviour can enable the development of novel devices with multiple phenomena involving the strong coupling of the mechanical, electrical and optical properties of layered nanomaterials.

Influence of film thickness on the properties of sprayed ZnO thin films for gas sensor applications

Transparent conducting ZnO films were prepared at substrate temperature 400 degrees C with different film thicknesses by nebulizer spray pyrolysis method on glass substrates. XRD studies reveal that the films are polycrystalline in nature having hexagonal crystal structure with preferred grain orientations along (0 0 2) and (1 0 1) directions. The crystallite size increases along (0 0 2) plane with the thickness increase and attains a maximum 109 nm for 913 nm film thickness. Analysis of structural parameters indicates that the films having thickness 913 nm are found to have minimum dislocation density and strain values. The HRSEM measurements show that the surface morphology of the films also changes with film thickness. EDAX estimates the average atomic percentage ratio of Zn and O in the ZnO films. Optical studies reveal the band gap energy decrease from 3.27 to 3.14 eV with increase of film thickness. Room temperature PL spectra show the near-band-edge emission and deep-level emission due to the presence of defects in the ZnO thin films. Impedance spectroscopy analysis indicates that grain boundary resistance decreases with the increasing ammonia concentration up to 500 ppm and the maximum sensitivity is found to be 1.7 for 500 ppm of ammonia. (C) 2014 Elsevier Ltd. All rights reserved.

Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution

Extended x-ray absorption fine-structure studies have been performed at the Zn K and Cd K edges for a series of solid solutions of wurtzite Zn1-xCdxS samples with x = 0.0, 0.1, 0.25, 0.5, 0.75, and 1.0, where the lattice parameter as a function of x evolves according to the well-known Vegard's law. In conjunction with extensive, large-scale first-principles electronic structure calculations with full geometry optimizations, these results establish that the percentage variation in the nearest-neighbor bond distances are lower by nearly an order of magnitude compared to what would be expected on the basis of lattice parameter variation, seriously undermining the chemical pressure concept. With experimental results that allow us to probe up to the third coordination shell distances, we provide a direct description of how the local structure, apparently inconsistent with the global structure, evolves very rapidly with interatomic distances to become consistent with it. We show that the basic features of this structural evolution with the composition can be visualized with nearly invariant Zn-S-4 and Cd-S-4 tetrahedral units retaining their structural integrity, while the tilts between these tetrahedral building blocks change with composition to conform to the changing lattice parameters according to the Vegard's law within a relatively short length scale. These results underline the limits of applicability of the chemical pressure concept that has been a favored tool of experimentalists to control physical properties of a large variety of condensed matter systems.

Conducting polymer-carbon black nanocomposite sensor for volatile organic compounds and correlating sensor response by molecular dynamics

Volatile organic compounds (VOCs) are present in our every day used products such as plastics, cosmetics, air fresheners, paint, etc. The determination of amount of VOC present in atmosphere can be carried out via various sensors. In this work a nanocomposite of a novel thiophene based conducting polymer and carbon black is used as a volatile organic compound sensor. The fabricated 2 lead chemiresistor sensor was tested for vapours of toluene, acetone, cylcohexane, and carbon tetrachloride. The sensor responds to all the vapours, however, exhibit maximum response to toluene vapours. The sensor was evaluated for various concentrations of toluene. The lower limit of detection of the sensor is 15 +/- 10 ppm. The study of the effect of humidity on senor response to toluene showed that the response decreases at higher humidity conditions. The surface morphology of the nanocomposite was characterized by scanning electron microscopy. Diffuse reflectance spectroscopy was used to investigate the absorption of vapours by the nanocomposite film. Contact angle measurements were used to present the effect of water vapour on the toluene response of nanocomposite film. Solubility parameter of the conducting polymer is predicted by molecular dynamics. The sensing behaviour of the conducting polymer is correlated with solubility parameter of the polymer. Dispersion interaction of conducting polymer with toluene is believed to be the reason for the selective response towards toluene. (C) 2014 Elsevier B.V. All rights reserved.

A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume

Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, alpha-PbO2-type, and pyrite-type for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase. (C) 2014 AIP Publishing LLC.

Pressure Dependence of Glass Transition in As2Te3 Glass

Amorphous solids prepared from their melt state exhibit glass transition phenomenon upon heating. Viscosity, specific heat, and thermal expansion coefficient of the amorphous solids show rapid changes at the glass transition temperature (T-g). Generally, application of high pressure increases the T-g and this increase (a positive dT(g)/dP) has been understood adequately with free volume and entropy models which are purely thermodynamic in origin. In this study, the electrical resistivity of semiconducting As2Te3 glass at high pressures as a function of temperature has been measured in a Bridgman anvil apparatus. Electrical resistivity showed a pronounced change at T-g. The T-g estimated from the slope change in the resistivity-temperature plot shows a decreasing trend (negative dT(g)/dP). The dT(g)/dP was found to be -2.36 degrees C/kbar for a linear fit and -2.99 degrees C/kbar for a polynomial fit in the pressure range 1 bar to 9 kbar. Chalcogenide glasses like Se, As2Se3, and As30Se30Te40 show a positive dT(g)/dP which is very well understood in terms of the thermodynamic models. The negative dT(g)/dP (which is generally uncommon in liquids) observed for As2Te3 glass is against the predictions of the thermodynamic models. The Adam-Gibbs model of viscosity suggests a direct relationship between the isothermal pressure derivative of viscosity and the relaxational expansion coefficient. When the sign of the thermal expansion coefficient is negative, dT(g)/dP = Delta k/Delta alpha will be less than zero, which can result in a negative dT(g)/dP. In general, chalcogenides rich in tellurium show a negative thermal expansion coefficient (NTE) in the supercooled and stable liquid states. Hence, the negative dT(g)/dP observed in this study can be understood on the basis of the Adams-Gibbs model. An electronic model proposed by deNeufville and Rockstad finds a linear relation between T-g and the optical band gap (E-g for covalent semiconducting glasses when they are grouped according to their average coordination number. The electrical band gap (Delta E) of As2Te3 glass decreases with pressure. The optical and electrical band gaps are related as Delta E-g = 2 Delta E; thus, a negative dT(g)/dP is expected when As2Te3 glass is subjected to high pressures. In this sense, As2Te3 is a unique glass where its variation of T-g with pressure can be understood by both electronic and thermodynamic models.