Negative hyperconjugation and red-, blue- or zero-shift in X-Z center dot center dot center dot Y complexes

A generalized explanation is provided for the existence of the red-and blue-shifting nature of X-Z bonds (Z = H, halogens, chalcogens, pnicogens, etc.) in X-Z center dot center dot center dot Y complexes based on computational studies on a selected set of weakly bonded complexes and analysis of existing literature data. The additional electrons and orbitals available on Z in comparison to H make for dramatic differences between the H-bond and the rest of the Z-bonds. The nature of the X-group and its influence on the X-Z bond length in the parent X-Z molecule largely controls the change in the X-Z bond length on X-Z center dot center dot center dot Y bond formation; the Y-group usually influences only the magnitude of the effects controlled by X. The major factors which control the X-Z bond length change are: (a) negative hyperconjugative donation of electron density from X-group to X-Z sigma* antibonding molecular orbital (ABMO) in the parent X-Z, (b) induced negative hyperconjugation from the lone pair of electrons on Z to the antibonding orbitals of the X-group, and (c) charge transfer (CT) from the Y-group to the X-Z sigma* orbital. The exchange repulsion from the Y-group that shifts partial electron density at the X-Z sigma* ABMO back to X leads to blue-shifting and the CT from the Y-group to the sigma* ABMO of X-Z leads to red-shifting. The balance between these two opposing forces decides red-, zero- or blue-shifting. A continuum of behaviour of X-Z bond length variation is inevitable in X-Z center dot center dot center dot Y complexes.

The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions

We investigated the nature of the cohesive energy between graphane sheets via multiple CH center dot center dot center dot HC interactions, using density functional theory (DFT) including dispersion correction (Grimmes D3 approach) computations of n]graphane sigma dimers (n = 6-73). For comparison, we also evaluated the binding between graphene sheets that display prototypical pi/pi interactions. The results were analyzed using the block-localized wave function (BLW) method, which is a variant of ab initio valence bond (VB) theory. BLW interprets the intermolecular interactions in terms of frozen interaction energy (Delta E-F) composed of electrostatic and Pauli repulsion interactions, polarization (Delta E-pol), charge-transfer interaction (Delta E-CT), and dispersion effects (Delta E-disp). The BLW analysis reveals that the cohesive energy between graphane sheets is dominated by two stabilizing effects, namely intermolecular London dispersion and two-way charge transfer energy due to the sigma CH -> sigma*(HC) interactions. The shift of the electron density around the nonpolar covalent C-H bonds involved in the intermolecular interaction decreases the C-H bond lengths uniformly by 0.001 angstrom. The Delta E-CT term, which accounts for similar to 15% of the total binding energy, results in the accumulation of electron density in the interface area between two layers. This accumulated electron density thus acts as an electronic glue for the graphane layers and constitutes an important driving force in the self-association and stability of graphane under ambient conditions. Similarly, the double faced adhesive tape style of charge transfer interactions was also observed among graphene sheets in which it accounts for similar to 18% of the total binding energy. The binding energy between graphane sheets is additive and can be expressed as a sum of CH center dot center dot center dot HC interactions, or as a function of the number of C-H bonds.

Spectral Zero-Crossings: Localization Properties and Applications

We present an analysis of the rate of sign changes in the discrete Fourier spectrum of a sequence. The sign changes of either the real or imaginary parts of the spectrum are considered, and the rate of sign changes is termed as the spectral zero-crossing rate (SZCR). We show that SZCR carries information pertaining to the locations of transients within the temporal observation window. We show duality with temporal zero-crossing rate analysis by expressing the spectrum of a signal as a sum of sinusoids with random phases. This extension leads to spectral-domain iterative filtering approaches to stabilize the spectral zero-crossing rate and to improve upon the location estimates. The localization properties are compared with group-delay-based localization metrics in a stylized signal setting well-known in speech processing literature. We show applications to epoch estimation in voiced speech signals using the SZCR on the integrated linear prediction residue. The performance of the SZCR-based epoch localization technique is competitive with the state-of-the-art epoch estimation techniques that are based on average pitch period.

A zero charge-pump mismatch current tracking loop for reference spur reduction in PLLs

The charge-pump (CP) mismatch current is a dominant source of static phase error and reference spur in the nano-meter CMOS PLL implementations due to its worsened channel length modulation effect. This paper presents a charge-pump (CP) mismatch current reduction technique utilizing an adaptive body bias tuning of CP transistors and a zero CP mismatch current tracking PLL architecture for reference spur suppression. A chip prototype of the proposed circuit was implemented in 0.13 mu m CMOS technology. The frequency synthesizer consumes 8.2 mA current from a 13 V supply voltage and achieves a phase noise of -96.01 dBc/Hz @ 1 MHz offset from a 2.4 GHz RF carrier. The charge-pump measurements using the proposed calibration technique exhibited a mismatch current of less than 0.3 mu A (0.55%) over the VCO control voltage range of 0.3-1.0 V. The closed loop measurements show a minimized static phase error of within +/- 70 ps and a similar or equal to 9 dB reduction in reference spur level across the PLL output frequency range 2.4-2.5 GHz. The presented CP calibration technique compensates for the DC current mismatch and the mismatch due to channel length modulation effect and therefore improves the performance of CP-PLLs in nano-meter CMOS implementations. (C) 2015 Elsevier Ltd. All rights reserved.

Zero-Crossings Based Spectrum Sensing Under Noise Uncertainties

In this work, the hypothesis testing problem of spectrum sensing in a cognitive radio is formulated as a Goodness-of-fit test against the general class of noise distributions used in most communications-related applications. A simple, general, and powerful spectrum sensing technique based on the number of weighted zero-crossings in the observations is proposed. For the cases of uniform and exponential weights, an expression for computing the near-optimal detection threshold that meets a given false alarm probability constraint is obtained. The proposed detector is shown to be robust to two commonly encountered types of noise uncertainties, namely, the noise model uncertainty, where the PDF of the noise process is not completely known, and the noise parameter uncertainty, where the parameters associated with the noise PDF are either partially or completely unknown. Simulation results validate our analysis, and illustrate the performance benefits of the proposed technique relative to existing methods, especially in the low SNR regime and in the presence of noise uncertainties.

Study on effect of optical wavelength on photo induced strain sensitivity in carbon nanotubes using fiber Bragg grating

In this work, the role of optical wavelength on the photo induced strain in carbon nanotubes (CNT) is probed using a Fiber Bragg Grating (FBG), upon exposure to infrared (IR) (21 mu epsilon mW(-1)) and visible (9 mu epsilon mW(-1)) radiations. The strain sensitivity in CNT is monitored over a smaller range (10(-3) to 10(-9) epsilon) by exposing to a low optical power varying in the range 10(-3) to 10(-6) W. In addition, the wavelength dependent response and recovery periods of CNT under IR (tau(rise) = 150 ms, tau(fall) = 280 ms) and visible (tau(rise) = 1.07 s, tau(fall) = 1.18 s) radiations are evaluated in detail. This study can be further extended to measure the sensitivity of nano-scale photo induced strains in nano materials and opens avenues to control mechanical actuation using various optical wavelengths.

Trap modulated photoresponse of InGaN/Si isotype heterojunction at zero-bias

n-n isotype heterojunction of InGaN and bare Si (111) was formed by plasma assisted molecular beam epitaxy without nitridation steps or buffer layers. High resolution X-ray diffraction studies were carried out to confirm the formation of epilayers on Si (111). X-ray rocking curves revealed the presence of large number of edge threading dislocations at the interface. Room temperature photoluminescence studies were carried out to confirm the bandgap and the presence of defects. Temperature dependent I-V measurements of Al/InGaN/Si (111)/Al taken in dark confirm the rectifying nature of the device. I-V characteristics under UV illumination, showed modest rectification and was operated at zero bias making it a self-powered device. A band diagram of the heterojunction is proposed to understand the transport mechanism for self-powered functioning of the device. (c) 2015 AIP Publishing LLC.

Spatial Modulation Aided Zero-Padded Single Carrier Transmission for Dispersive Channels

In this paper, we consider spatial modulation (SM) operating in a frequency-selective single-carrier (SC) communication scenario and propose zero-padding instead of the cyclic-prefix considered in the existing literature. We show that the zero-padded single-carrier (ZP-SC) SM system offers full multipath diversity under maximum-likelihood (ML) detection, unlike the cyclic-prefix based SM system. Furthermore, we show that the order of ML detection complexity in our proposed ZP-SC SM system is independent of the frame length and depends only on the number of multipath links between the transmitter and the receiver. Thus, we show that the zero-padding applied in the SC SM system has two advantages over the cyclic prefix: 1) achieves full multipath diversity, and 2) imposes a relatively low ML detection complexity. Furthermore, we extend the partial interference cancellation receiver (PIC-R) proposed by Guo and Xia for the detection of space-time block codes (STBCs) in order to convert the ZP-SC system into a set of narrowband subsystems experiencing flat-fading. We show that full rank STBC transmissions over these subsystems achieves full transmit, receive as well as multipath diversity for the PIC-R. Furthermore, we show that the ZP-SC SM system achieves receive and multipath diversity for the PIC-R at a detection complexity order which is the same as that of the SM system in flat-fading scenario. Our simulation results demonstrate that the symbol error ratio performance of the proposed linear receiver for the ZP-SC SM system is significantly better than that of the SM in cyclic prefix based orthogonal frequency division multiplexing as well as of the SM in the cyclic-prefixed and zero-padded single carrier systems relying on zero-forcing/minimum mean-squared error equalizer based receivers.

Effect of Particle Concentration on Shape Deformation and Secondary Atomization Characteristics of a Burning Nanotitania Dispersion Droplet

Secondary atomization characteristics of burning bicomponent (ethanol-water) droplets containing titania nanoparticles (NPs) in dilute (0.5% and 1 wt.%) and dense concentrations (5% and 7.5 wt.%) are studied experimentally at atmospheric pressure under normal gravity. It is observed that both types of nanofuel droplets undergo distinct modes of secondary breakup, which are primarily responsible for transporting particles from the droplet domain to the flame zone. For dilute nanosuspensions, disruptive response is characterized by low intensity atomization modes that cause small-scale localized flame distortion. In contrast, the disruption behavior at dense concentrations is governed by high intensity bubble ejections, which result in severe disruption of the flame envelope.

Effects of site stiffness and source to receiver distance on surface wave tests' results

By using six 4.5 Hz geophones, surface wave tests were performed on four different sites by dropping freely a 65 kg mass from a height of 5 m. The receivers were kept far away from the source to eliminate the arrival of body waves. Three different sources to nearest receiver distances (S), namely, 46 m, 56 m and 66 m, were chosen. Dispersion curves were drawn for all the sites. The maximum wavelength (lambda(max)), the maximum depth (d(max)) up to which exploration can be made and the frequency content of the signals depends on the site stiffness and the value of S. A stiffer site yields greater values of lambda(max) and d(max). For stiffer sites, an increase in S leads to an increase in lambda(max). The predominant time durations of the signals increase from stiffer to softer sites. An inverse analysis was also performed based on the stiffness matrix approach in conjunction with the maximum vertical flexibility coefficient of ground surface to establish the governing mode of excitation. For the Site 2, the results from the surface wave tests were found to compare reasonably well with that determined on the basis of cross boreholes seismic tests. (C) 2015 Elsevier Ltd. All rights reserved.

A Zero-Crossing Rate Property of Power Complementary Analysis Filterbank Outputs

We establish zero-crossing rate (ZCR) relations between the input and the subbands of a maximally decimated M-channel power complementary analysis filterbank when the input is a stationary Gaussian process. The ZCR at lag is defined as the number of sign changes between the samples of a sequence and its 1-sample shifted version, normalized by the sequence length. We derive the relationship between the ZCR of the Gaussian process at lags that are integer multiples of Al and the subband ZCRs. Based on this result, we propose a robust iterative autocorrelation estimator for a signal consisting of a sum of sinusoids of fixed amplitudes and uniformly distributed random phases. Simulation results show that the performance of the proposed estimator is better than the sample autocorrelation over the SNR range of -6 to 15 dB. Validation on a segment of a trumpet signal showed similar performance gains.

Study of a four-level system in vee plus ladder configuration

We present the results of a theoretical study of a four-level atomic system in vee + ladder configuration using a density matrix analysis. The absorption and dispersion profiles are derived for a weak probe field and for varying strengths of the two strong control fields. For specificity, we choose energy levels of Rb-87, and present results for both stationary atoms and moving atoms in room temperature vapor. An electromagnetically induced absorption (EIA) peak with negative dispersion is observed at zero probe de-tuning when the control fields have equal strengths, which switches to electromagnetically induced transparency (ET) with positive dispersion (due to splitting of the EIA peak) when the control fields are unequal. There is significant linewidth narrowing in thermal vapor. (C) 2015 Elsevier B.V. All rights reserved.

Fusing the Navigation Information of Dual Foot-Mounted Zero-Velocity-Update-Aided Inertial Navigation Systems

A range constraint method viz. centroid method is proposed to fuse the navigation information of dual (right and left) foot-mounted Zero-velocity-UPdaTe (ZUPT)-aided Inertial Navigation Systems (INSs). Here, the range constraint means that the distance of separation between the position estimates of right and left foot ZUPT-aided INSs cannot be greater than a quantity known as foot-to-foot maximum separation. We present the experimental results which illustrate the applicability of the proposed method. The results show that the proposed method significantly enhances the accuracy of the navigation solution when compared to using two uncoupled foot-mounted ZUPT-aided INSs. Also, we compare the performance of the proposed method with the existing data fusion methods.

Wave propagation in a 2D nonlinear structural acoustic waveguide using asymptotic expansions of wavenumbers

Nonlinear acoustic wave propagation in an infinite rectangular waveguide is investigated. The upper boundary of this waveguide is a nonlinear elastic plate, whereas the lower boundary is rigid. The fluid is assumed to be inviscid with zero mean flow. The focus is restricted to non-planar modes having finite amplitudes. The approximate solution to the acoustic velocity potential of an amplitude modulated pulse is found using the method of multiple scales (MMS) involving both space and time. The calculations are presented up to the third order of the small parameter. It is found that at some frequencies the amplitude modulation is governed by the Nonlinear Schrodinger equation (NLSE). The first objective here is to study the nonlinear term in the NLSE. The sign of the nonlinear term in the NLSE plays a role in determining the stability of the amplitude modulation. Secondly, at other frequencies, the primary pulse interacts with its higher harmonics, as do two or more primary pulses with their resultant higher harmonics. This happens when the phase speeds of the waves match and the objective is to identify the frequencies of such interactions. For both the objectives, asymptotic coupled wavenumber expansions for the linear dispersion relation are required for an intermediate fluid loading. The novelty of this work lies in obtaining the asymptotic expansions and using them for predicting the sign change of the nonlinear term at various frequencies. It is found that when the coupled wavenumbers approach the uncoupled pressure-release wavenumbers, the amplitude modulation is stable. On the other hand, near the rigid-duct wavenumbers, the amplitude modulation is unstable. Also, as a further contribution, these wavenumber expansions are used to identify the frequencies of the higher harmonic interactions. And lastly, the solution for the amplitude modulation derived through the MMS is validated using these asymptotic expansions. (C) 2015 Elsevier Ltd. All rights reserved.

Pattern formation in thin films of polymer solutions: Theory and simulations

Self-assembly has been recognized as an efficient tool for generating a wide range of functional, chemically, or physically textured surfaces for applications in small scale devices. In this work, we investigate the stability of thin films of polymer solutions. For low concentrations of polymer in the solution, long length scale dewetting patterns are obtained with wavelength approximately few microns. Whereas, for concentrations above a critical value, bimodal dispersion curves are obtained with the dominant wavelength being up to two orders smaller than the usual dewetting length scale. We further show that the short wavelength corresponds to the phase separation in the film resulting in uniformly distributed high and low concentration regions. Interestingly, due to the solvent entropy, at very high concentration values of polymer, a re-entrant behaviour is observed with the dominant length scale now again corresponding to the dewetting wavelength. Thus, we show that the binary films of polymer solutions provide additional control parameters that can be utilized for generating functional textured surfaces for various applications. (C) 2016 AIP Publishing LLC.