Contributions Of Various Parts Research Articles

Continuous Kubo-Greenwood formula: Theory and numerical implementation.

In this paper, we present the so-called continuous Kubo-Greenwood formula intended for the numerical calculation of the dynamic Onsager coefficients and, in particular, the real part of dynamic electrical conductivity. In contrast to the usual Kubo-Greenwood formula, which contains the summation over a discrete set of transitions between electron energy levels, the continuous one is formulated as an integral over the whole energy range. This integral includes the continuous functions: the smoothed squares of matrix elements, D(ɛ,ɛ+ℏω), the densities of state, g(ɛ)g(ɛ+ℏω), and the difference of the Fermi weights, [f(ɛ)-f(ɛ+ℏω)]/(ℏω). The function D(ɛ,ɛ+ℏω) is obtained via the specially developed smoothing procedure. From the theoretical point of view, the continuous formula is an alternative to the usual one. Both can be used to calculate matter properties and produce close results. However, the continuous formula includes the smooth functions that can be plotted and examined. Thus, we can analyze the contributions of various parts of the electron spectrum to the obtained properties. The possibility of such analysis is the main advantage of the continuous formula. The continuous Kubo-Greenwood formula is implemented in the parallel code cubogram. Using the code we demonstrate the influence of technical parameters on the simulation results for liquid aluminum. We also analyze various methods of matrix elements computation and their effect on dynamic electrical conductivity.

Contextual semantics using hierarchical attention network for sentiment classification in social internet-of-things

To steer impactful data-driven possibilities, Social Internet of Things (SIoT) comes with the collaboration of IoT and social networking and finds deeper insights into consumer behavior for better user experiences. Social networks can permeate intelligence to aid autonomous decision making by enhancing the service needs and communication among object peers in a SIoT. But the user-generated data has multiple layers of meaning which necessitate AI-driven solutions such as sentiment analysis to handle the dynamics. As people express opinions in complex ways and use rhetorical devices like sarcasm, irony, and implication etc., considering only the lexical content can be misleading. Moreover, intra-textual and sub-sentential reversals, topic drift, negation can further misrepresent sentiment, fostering the need to recognize and incorporate contextual semantics for increasing the sentiment classification accuracy. This research evaluates the use of hierarchical attention network (HAN) to classify sentiments in real-time Twitter data, including the multiple sentence tweets and multi-tweet threads. HAN allows differential contribution of various parts of tweet (tweet-sentence-word) to its essential meaning as it introduces two attentive mechanisms and the context-dependent importance of the parts of tweet are considered when constructing the representation of the document. The model is evaluated on two benchmark datasets and compares favorably to state-of-the-art approaches giving an effective solution to tweet-level analysis of sentiments in SIoT.

Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions.

The interacting quantum atoms (IQA) method decomposes the total energy of a molecular system in terms of one- and two-center (atomic) contributions within the context of the quantum theory of atoms in molecules. Here we incorporate electrostatic continuum solvent effects into the IQA energy decomposition. To this end, the interaction between the solute electrostatic potential and the solvent screening charges as defined within the COSMO solvation model is now included in a new version of the PROMOLDEN code, allowing thus to apply IQA in combination with COSMO-quantum chemical methods as well as to partition the electrostatic solvation energy into effective atomic and group contributions. To test the robustness of this approach, we carry out COSMO-HF/aug-cc-pVTZ calculations followed by IQA calculations on more than 400 neutral and ionic solutes extracted from the MNSol database. The computational results reveal a detailed atomic mapping of the electrostatic solvation energy that is useful to assess to what extent the solvation energy can be decomposed into atomic and group contributions of various parts of a solute molecule, as generally assumed by empirical methodologies that estimate solvation energy and/or logP values.

Aerodynamics of badminton shuttlecocks

A computational study is carried out to understand the aerodynamics of shuttlecocks used in the sport of badminton. The speed of the shuttlecock considered is in the range of 25–50m/s. The relative contribution of various parts of the shuttlecock to the overall drag is studied. It is found that the feathers, and the net in the case of a synthetic shuttlecock, contribute the maximum. The gaps, in the lower section of the skirt, play a major role in entraining the surrounding fluid and causing a difference between the pressure inside and outside the skirt. This pressure difference leads to drag. This is confirmed via computations for a shuttlecock with no gaps. The synthetic shuttle experiences more drag than the feather model. Unlike the synthetic model, the feather shuttlecock is associated with a swirling flow towards the end of the skirt. The effect of the twist angle of the feathers on the drag as well as the flow has also been studied.

Low-lying configurations in a non-relativistic constituent quark model

The energies of the low-lying isoscalar and isovector configurations with spin-parity JP = 0+, 1+ and 2+ are calculated in a non-relativistic constituent quark model by using the variational method. The contributions of various parts of the quark–quark interacting potentials including the s-channel interaction are investigated, and the effect of different forms of the confinement potential is examined. The model parameters are determined by the same method as in our previous work, and they still can satisfactorily describe the nucleon–nucleon scattering phase shifts and the hyperon–nucleon cross sections. The parameters of the s-channel interaction are fixed by the masses of K and K* mesons, for which the size parameter is taken to be two possible values. When it is chosen to be the same as baryons', the numerical results show that the masses of all the configurations are higher than the corresponding meson–meson thresholds. But when the size parameter for the K and K* mesons is adjusted to be smaller than that for the baryons, the configuration with I = 0 and JP = 1+ is found to lie lower than the K*K* threshold, furthermore, this state has a very small KK* component and the interaction matrix elements between this state and KK* is comparatively small, thus its coupling to the KK* channel will consequently be weak and it might be regarded as a possible tetraquark candidate.

Conservation laws and constitutive relations for density-gradient-dependent viscous fluids

Conservation laws and constitutive relations for a density-gradient-dependent viscous fluid as a multipolar continuum obeying an entropy inequality with generalized entropy flux and supply density are considered in this paper. A decomposition of the rate of work of dipolar stress, which reveals the contribution of various parts of this stress to the energy equation, is used to discuss the inconsistencies between the results obtained here and those obtained by Bluestein and Green [1] on the basis of the pioneering work of Green and Rivlin [8]. Furthermore, we discuss the connection between the model presented here and the materials of Korteweg type considered by Dunn and Serrin [6]. In particular, we relate the rate of work of dipolar stress and the interstitial working introduced by Dunn and Serrin [6].

Contribution aux recherches sociales du Québec par une étude des variations régionales du nombre des vocations sacerdotales

This study, one of the first ever published in that field of research, is devoted to the geography of sacerdotal vocations and is divided in two parts. The first part deals with the differential rates of sacerdotal vocations which characterize some regions of the Province of Québec. The author bas calculated « index numbers of sacerdotal fecundity », and he studies the variability of these indexes within the limits of the diocese of Trois-Rivières. The data show that, before 1950, the St. Lawrence Lowlands region bas given a greater number of priests than the Valley of the St. Maurice River and a much greater number than the Laurentian Uplands. The second part of the article is more elaborated and treats of some « exterior » conditions which usually explain the number of vocations and justify the different contributions of various parts of the diocese. The various factors examined are demographic, familial, religious, economic, social, academic and historical. On this basis, the author formulates a series of observations which, taking into account the limited value of conclusions reached in social research, seem valuable for the understanding of the specific subject of this paper but also of many other problems concerning the social geography of the Province of Québec.

On the estimation of impact of vehicular emissions

It is suggested a method for estimating the carbon monoxide (CO) concentration levels in various zones of an urban area caused by vehicular emissions. The method is based on using the adjoint operator and adjoint transport equation and can be used by any pollution transport model. It is illustrated here with a simple two-dimensional pollution transport model and its adjoint applied to Guadalajara City. The car emissions are described by linear sources located along the main city roadways. Each of the models is well posed, that is, has unique solution continuously depending on the CO emission rates and initial CO distribution in the area. Two equivalent (direct and adjoint) mean CO concentration estimates in an ecologically important zone are given. The sensitivity of these estimates with respect to vehicular emission rates along the main city roads, as well as to the wind and initial CO distribution is examined. Compatible, balanced, and absolutely stable second-order finite-difference schemes based on the splitting method are used to simulate CO transport in the Guadalajara City Metropolitan Area (GCMA). It is shown that the adjoint model solutions serve as influence (Green) functions providing valuable information on the contribution of various parts of the roadways in polluting the zone selected.

Some constraints on the use of ABR in hearing studies: Investigation in dolphins

The main difficulty in using ABR in frequency-tuning measurements arises from the fact that these responses are evoked only by transient acoustic stimuli. This limits their use as probes for measuring frequency selectivity. Even with a slowly rising and falling stimulus, only a shorter part of the stimulus may be effective to evoke the response, and the spectrum of this short part is broader than the spectrum of the whole burst. It was shown in tone–tone masking study in dolphins, that tuning curves at lower frequencies reflect not the real frequency tuning but broad spectral bandwidth of the probe’s effective part. In the bottlenose dolphin, this effective part is not longer than 0.5 ms, irrespective of the actual probe duration. Another problem in the use of the ABR technique is that it is not clear which spectral part of the wideband stimulus participates in ABR generation, and what is the contribution of various parts of the cochlear partition to ABR. ABR to clicks and noise bursts of various frequency bands were recorded in dolphins in order to find these contributions. ABR amplitude increased with increasing the stimulus frequency, thus indicating a higher contribution of basal cochlear parts.

Contribution of various frequency bands to ABR in dolphins

Auditory brainstem responses (ABR) to clicks and noise bursts of various frequency bands and intensities were recorded in two bottlenosed dolphins, Tursiops truncatus. The purpose was to assess contributions of various parts of the cochlear partition to ABR and travelling wave velocity in the cochlea. At band-pass filtered stimuli (1–0.25 oct wide), ABR amplitude increased with increasing stimulus frequency, thus indicating higher contribution of basal cochlear parts. At high-pass and low-pass filtered stimuli, ABR amplitude increased with passband widening. However, the sum of all narrow-band contributions was a waveform of higher amplitude than the real ABR evoked by the wide-band stimulus. Applying a correction based on an assumption that the ‘internal spectrum’ is about 0.4 oct wider than the nominal stimulus spectrum resulted in the sum of narrow-band contributions equal to the wide-band ABR. The travelling wave velocity was computed based on ABR latencies and assigned a frequency of 128 kHz to the basal end of the cochlea. The computation gave values from 38.2 oct/ms at the proximal end of the basilar membrane to 4.0 oct/ms at a distance of 3.25 oct (13.5 kHz).

Moderate phonon dispersion shown by the temperature dependence of fundamental band gaps of various elemental and binary semiconductors including wide-band gap materials

A recently devised analytical four-parameter model describing the temperature dependence of fundamental band gaps Eg(T) and/or exciton peak positions Egx(T) in semiconductors is used for estimating the material-specific magnitudes of phonon dispersion. A set of four fundamental parameters, the magnitudes of which are essentially independent of various details of the analytical model used, is established by direct connections with the experimentally detectable low-order moments of the electron–phonon spectral function. Numerical fittings of experimental E(T) data sets are performed for a variety of group IV, III–V, and II–VI materials showing a moderate degree of phonon dispersion. The resulting sets of basic parameters are listed. For all materials in question we find that the limiting (T→∞) slopes of the E(T) curves are confined to magnitudes between about 0.2 and 0.9 meV/K. The effective phonon temperatures amount to about 2/3 of the corresponding Debye temperatures. The simultaneous knowledge of both the effective phonon temperature and the associated dispersion coefficient enables a rough estimation of the relative weights of the contributions of various parts of the phonon spectrum to the T→∞ slope of the measured E(T) dependence. From the parameter sets determined recently for zinc chalcogenides we can assume the dominating contributions to the limiting slopes of their E(T) curves are due to short-wavelength longitudinal acoustical phonons. This conclusion is confirmed by a comparison with alternative fittings using a three-oscillator model.

Theoretical study of the vibrational spectra of 2-chloropyridine metal complexes. I. Calculation and analysis of the IR spectrum of 2-chloropyridine

The force field and the electrooptical parameters of 2-chloropyridine were determined by the refinement of the corresponding parameters of the pyridine molecule, for further use in the metal complexes study. During the refinement procedure, the results of semiempirical (MNDO) and ab initio (4-31G*) calculations were taken into account. Approximate normal coordinate analysis was performed on the basis of different theoretical calculations. Theoretical results predict significant mixing of the ring and CH modes. Nevertheless, there is qualitative agreement between normal mode assignments made upon quantum chemical calculations, force field refinement results and results based on earlier experimental information. Calculation of the IR intensities serves as an additional check of the force field quality. The interpretation of the IR intensities and contribution of various parts of the molecule to the total IR spectra is given.

Optically isolated electronic trigger system for experiments on a subnanosecond time scale with a pulsed Van de Graaff electron accelerator

An optically isolated electronic trigger system for a pulsed Van de Graaff electron accelerator, producing an external pretrigger pulse 75 ns before arrival of the electron pulse at the target, is described. The total time jitter between trigger signal and electron pulse is 50 ps. The measurement of optical and electrical transients on a subnanosecond time scale with a sequential sampling oscilloscope is demonstrated. The contribution of various parts of the equipment to the total jitter is discussed. Those contributions to the jitter due to the electron transit time fluctuations in the accelerator assuming a constant acceleration voltage gradient and to the shot noise in the photomultiplier detector of the trigger system are calculated to be 5 ps and 12 to 21 ps respectively. Comparison with the experimental results leads to the conclusion that a considerable part of the total jitter may be attributed to acceleration voltage gradient fluctuations, to accelerator vibrations and possibly to density fluctuations in the insulation gas. Possible improvements of the trigger system are discussed. The apparatus is used for pulse radiolysis experiments with subnanosecond time resolution down to 100 ps in combination with subnanosecond time duration electron pulses.

Two-Variable Expansions andp¯n→3πAnnihilations at Rest

The experimental Dalitz plot for $\overline{p}n\ensuremath{\rightarrow}{\ensuremath{\pi}}^{+}{\ensuremath{\pi}}^{\ensuremath{-}}{\ensuremath{\pi}}^{\ensuremath{-}}$ annihilations at rest is analyzed, using previously suggested two-variable expansions of decay amplitudes, based on the representation theory of the group O(4). A fair fit to the Dalitz plot is obtained by minimizing the ${\ensuremath{\chi}}^{2}$ function, assuming that the annihilation proceeds from a protium state of definite (but unspecified) angular momentum $J$ (or from several such states). Fits with 2, 4, 6, and 9 free parameters are considered, the values of the parameters are essentially stable with respect to the "cutoff" of the expansion, and the solutions are unique. The fit is purely kinematical, in that no assumptions are made about the initial and final state or the annihilation dynamics. An analysis of the contribution of various parts of the Dalitz plot to the over-all ${\ensuremath{\chi}}^{2}$ suggests that the fit would be considerably improved by including, e.g., $\ensuremath{\rho}$- and $f$-meson final-state resonances explicitly. We compare the O(4) expansions with a power-series expansion in Dalitz-Fabri variables and also with various models that have been recently applied, in particular the Veneziano model and its generalizations and various final-state-interaction models.

Semen Characteristics and Chemistry from Bulls Before and After Seminal Vesiculectomy and After Vasectomy

Four normal Holstein bulls were surgically seminal vesiculectomized and vasectomized to determine the contribution of various parts of the genital tract to physical characteristics and chemistry of semen. Semen volume decreased after vesiculectomy and also after vesiculectomy and vasectomy. Total spermatozoa output and per cent motile sperm decreased after vesiculectomy. Hydrogen ion concentration increased after vesiculectomy and again after vasectomy. Protein, calcium, chloride, potassium, sodium, reducing substances contents, and alkaline phosphatase activity decreased after vesiculectomy while inorganic phosphate content and acid phosphatase activity decreased after each operation. Of these nine constituents, 61.5% were contributed from the seminal vesicles, 22.2% from the testes and epididymis, and 16.3% from the ampulla, prostate and bulbo-urethral glands. There was no significant change in free amino acids in semen after vesiculectomy, but there was a significant decrease in 16 amino acids studied after vasectomy. Total free amino acids were contributed 79.9% from the testes and epididymis, 14.5% from the seminal vesicles and 5.6% from the ampulla, prostate and bulbo-urethral glands.

Transport of iodine from atmosphere to ground

Three methods have been used to measure the velocity of deposition of iodine to grassland. For average conditions the results are: field experiments, vg = 1 cm/sec; analysis of fallout data, vg = 0.5 cm/sec; analysis of stable iodine measurements vg = 0.16 cm/ sec. The varying physical-chemical state of the iodine accounts for the variation. An analysis is made of the contributions of various parts of the boundary layer to the resistance to transport of gaseous elemental iodine to grass. DOI: 10.1111/j.2153-3490.1966.tb00231.x

Automatic DC Data Logging System

A system is described which digitizes dc voltages and records the values on punched cards for subsequent machine data reduction. High accuracy is achieved by comparing the input voltage to a bank of standard cells and measuring the difference. An automatic calibration routine is provided. Resolution is one part per million, stability a few parts per million for a 30-day period without adjustment. Contributions of various parts of the system to over-all error are analyzed. Automatic calibration data are analyzed to establish system performance.

New Concepts in Thermoelectric Device Design

When optimizing thermoelectric device design for a given set of materials and technology, the system of equations used will be different for various device applications. Whenever efficiency or coefficient of performance is important in the application, an irreversible thermodynamic analysis of the design problem is useful. In this analysis, the effects of the thermal and electrical circuit on entropy production within the device are considered. The design problem is analyzed by comparing the relative contribution of various parts of the system to the total entropy production. This irreversible thermodynamic approach is illustrated with examples concerning several different design questions. Often qualitative conclusions can be drawn more readily than with other methods.