Direction Of Dipole Research Articles

Theoretical calculation of the vib-rotational interaction potential and the scattering cross section for the Ar-H2 (D2, T2) collision system

Based on the ab initio coupled-cluster CCSD(T) method in quantum mechanics, the charge distribution of Ar atom and its vib-rotational interaction with H2 molecule are calculated using augmented correlation consistent basis sets aug-cc-pV5Z and 3s3p2d1f1g Gaussian bonding function, and the basis set superposition error (BSSE) is eliminated using Boy and Bernardi's full counterpoise method. Afterwards, the analytical expression of the interaction potential of the Ar-H2 system is fitted with Tang-Toennies potential function. With this interaction potential, the scattering cross section of Ar-H2(D2, T2) collision system is calculated by using close-coupling method when the incident energy of Ar atoms is 83 meV. The calculated differential cross section of Ar-D2 collision system is consistent with the experimental results. Calculated result and analysis show that the dispersion energy plays a key role in the long-range attractive potential scattering, and the exchange energy plays an important role in the short-range repulsive potential scattering. The direction of the radial dipole of the Ar-H2 (D2, T2) collision system is turned twice in the range of impact parameters from 0.27 to 0.47 nm.

Charge trapping and de-trapping in isolated CdSe/ZnS nanocrystals under an external electric field: indirect evidence for a permanent dipole moment

Single nanoparticle studies of charge trapping and de-trapping in core/shell CdSe/ZnS nanocrystals incorporated into an insulating matrix and subjected to an external electric field demonstrate the ability to reversibly modulate the exciton dynamics and photoluminescence blinking while providing indirect evidence for the existence of a permanent ground state dipole moment in such nanocrystals. A model assuming the presence of energetically deep charge traps physically aligned along the direction of the permanent dipole is proposed in order to explain the dynamics of nanocrystal blinking in the presence of a permanent dipole moment.

Polarization characteristics of the lattice resonance of metal nanoparticle array

A special lattice resonance can be observed when the array period of a metal nanoparticle array matches the resonant wavelength of the localized plasmon resonance of an isolated particle. The lattice resonance is sharper and its linewidth is narrower than the localized plasmonics resonance of a single particle. According to the modified long wavelength approximation approach, we discuss the extinction cross-section of the rectangular array in terms of the array factor and the particle polarizability. In this paper we emphasize the polarization characteristics of the regular array when the laser is incident vertically under different polarizations, and we also discuss in detail the variation of the array factor with the direction of electric dipole, and its influence on extinction cross section of the particle array. The square lattice with big size is polarization independent, while the rectangular lattice is polarization dependent. The coupling between the neighboring particle dipoles along the two lattice vectors of the regular array gives rise to a maximum value of its array factor, which determines a minimum value of the extinction cross section. When the incident light is polarized along one of the lattice vectors, the dipole coupling along that direction can be ignored since the particles are located in the far field of its neighboring particles, and the relevant peak in the array factor disappears.

Photoelectrochemical properties of porphyrin dyes with a molecular dipole in the linker.

The electronic properties of three porphyrin-bridge-anchor photosensitizers are reported with (1a, 1e, 3a and 3e) or without (2a and 2e) an intramolecular dipole in the bridge. The presence and orientation of the bridge dipole is hypothesized to influence the photovoltaic properties due to variations in the intrinsic dipole at the semiconductor-molecule interface. Electrochemical studies of the porphyrin-bridge-anchor dyes self-assembled on mesoporous nanoparticle ZrO2 films, show that the presence or direction of the bridge dipole does not have an observable effect on the electronic properties of the porphyrin ring. Subsequent photovoltaic measurements of nanostructured TiO2 semiconductor films in dye sensitized solar cells show a reduced photocurrent for photosensitizers 1a and 3a containing a bridge dipole. However, cooperative increased binding of the 1a + 3a co-sensitized device demonstrates that dye packing overrides any differences due to the presence of the small internal dipole.

Passive magnetic stabilization of the rotational motion of the satellite in its inclined orbit

The problem of perturbed rotational motion of the satellite is one of the most interesting, important and, at the same time, mathematically complex problems of celestial mechanics and space flight dynamics. Among existing stabilization systems, a passive magnetic stabilization systems have a special place, since they have an exceptional reliability and are easy to manufacture. In this paper the problem of passive magnetic stabilization of the rotational motion of the satellite is studied. It is assumed that passive magnetic system provides its orientation along the vector of the geomagnetic field strength ~ H. The geomagnetic field is simulated by the direct dipole model, considering different orbits of inclination. In the considered model an effect of the gravitational torque is taken into account. Results of computational experiments are presented.

Directional Dipole Model for Subsurface Scattering

Rendering translucent materials using Monte Carlo ray tracing is computationally expensive due to a large number of subsurface scattering events. Faster approaches are based on analytical models derived from diffusion theory. While such analytical models are efficient, they miss out on some translucency effects in the rendered result. We present an improved analytical model for subsurface scattering that captures translucency effects present in the reference solutions but remaining absent with existing models. The key difference is that our model is based on ray source diffusion, rather than point source diffusion. A ray source corresponds better to the light that refracts through the surface of a translucent material. Using this ray source, we are able to take the direction of the incident light ray and the direction toward the point of emergence into account. We use a dipole construction similar to that of the standard dipole model, but we now have positive and negative ray sources with a mirrored pair of directions. Our model is as computationally efficient as existing models while it includes single scattering without relying on a separate Monte Carlo simulation, and the rendered images are significantly closer to the references. Unlike some previous work, our model is fully analytic and requires no precomputation.

Measurement of the shear strain of the Gd2O3/GaAs(001) interface by photoreflectance difference spectroscopy

In this work, we report on photoreflectance (PR) and photoreflectance-difference (PR-D) measurements of GaAs(001) upon deposition of Gd2O3 thin films. The study is focused on two different substrates: a semi-insulating (SI) with Cr impurities and a Si-doped n-type. PR-D results show that Gd2O3 induces a tensile strain on the GaAs surface and a direct piezo-electric dipole is created. Such strain changes the crystal symmetry from cubic to orthorhombic and renders the quadratic electro-optic (QEO) component anisotropic. For the SI substrate, both linear electro-optic (LEO) and QEO components contribute to the PR-D spectrum, whereas the n-type PR-D spectrum is dominated by the LEO component. In both cases, a tensile strain induces a rigid redshift of ∼20 meV to low energies of the E1 and E1 + Δ1 optical transitions.

Planck2013 results. XXVII. Doppler boosting of the CMB: Eppur si muove

Our velocity relative to the rest frame of the cosmic microwave background (CMB) generates a dipole temperature anisotropy on the sky which has been well measured for more than 30 years, and has an accepted amplitude of v/c = 0.00123, or v = 369km/s. In addition to this signal generated by Doppler boosting of the CMB monopole, our motion also modulates and aberrates the CMB temperature fluctuations (as well as every other source of radiation at cosmological distances). This is an order 0.1% effect applied to fluctuations which are already one part in roughly one hundred thousand, so it is quite small. Nevertheless, it becomes detectable with the all-sky coverage, high angular resolution, and low noise levels of the Planck satellite. Here we report a first measurement of this velocity signature using the aberration and modulation effects on the CMB temperature anisotropies, finding a component in the known dipole direction, (l,b)=(264, 48) [deg], of 384km/s +- 78km/s (stat.) +- 115km/s (syst.). This is a significant confirmation of the expected velocity.

Numerical Study of Polarization-Dependent Emission Properties of Localized-Surface-Plasmon-Coupled Light Emitting Diodes with Ag/SiO2 Na

We study polarization-dependent spontaneous emission (SE) rate and light extraction efficiency (LEE) in localized-surface-plasmon (LSP)-coupled light emitting diodes (LEDs). The closely packed seven $Ag/SiO_2$ core-shell (CS) nanoparticles (NPs) lie on top of the GaN surface for LSP coupling with a radiated dipole. According to the dipole direction, both the SE rate and the LEE are significantly modified by the LSP effect at the $Ag/SiO_2$ CS NPs when the size of Ag, the thickness of $SiO_2$ , and the position of the dipole source are varied. The enhancement of the SE rate is related to an induced dipole effect at the Ag, and the high LEE is caused by light scattering with an LSP mode at $Ag/SiO_2$ CS NPs. We suggest the optimum position of the quantum well (QW) in blue InGaN/GaN LEDs with $Ag/SiO_2$ CS NPs for practical application.

Insights into hydrogen bonding via ice interfaces and isolated water.

Water in a confined environment has a combination of fewer available configurations and restricted mobility. Both affect the spectroscopic signature. In this work, the spectroscopic signature of water in confined environments is discussed in the context of competing models for condensed water: (1) as a system of intramolecular coupled molecules or (2) as a network with intermolecular dipole-dipole coupled O-H stretches. Two distinct environments are used: the confined asymmetric environment at the ice surface and the near-isolated environment of water in an infrared transparent matrix. Both the spectroscopy and the environment are described followed by a perspective discussion of implications for the two competing models. Despite being a small molecule, water is relatively complex; perhaps not surprisingly the results support a model that blends inter- and intramolecular coupling. The frequency, and therefore the hydrogen-bond strength, appears to be a function of donor-acceptor interaction and of longer-range dipole-dipole alignment in the hydrogen-bonded network. The O-H dipole direction depends on the local environment and reflects intramolecular O-H stretch coupling.

Dipolar modulation in number counts of WISE–2MASS sources

Abstract We test the statistical isotropy of the Universe by analysing the distribution of WISE extragalactic sources that were also observed by 2MASS. We pay particular attention to colour cuts and foreground marginalization in order to cull a uniform sample of extragalactic objects and avoid stars. We detect a dipole gradient in the number counts with an amplitude of ∼0.05, somewhat larger than expectations based on local structures corresponding to the depth and (independently measured) bias of our WISE–2MASS sources. The direction of the dipole, (l, b) ≃ (310°, −15°), is in reasonably good agreement with that found previously in the (shallower) 2MASS Extended Source Catalog alone. Interestingly, the dipole direction is not far from the direction of the dipolar modulation in the cosmic microwave background found by Planck, and also fairly closely matches large-scale structure bulk-flow directions found by various groups using galaxies and Type Ia supernovae. It is difficult, however, to draw specific conclusions from the near-agreement of these directions.

ChemInform Abstract: Solid‐State NMR as a Spectroscopic Tool for Characterizing Phosphane‐Borane Frustrated Lewis Pairs

AbstractReview: 65 refs.

Anomalous enhancement of proton conductivity for water molecular clusters stabilized in interstitial spaces of porous molecular crystals.

In an investigation into the proton conductivity of crystallized water clusters confined within low-dimensional nanoporous materials, we have found that water-stable nanoporous crystals are formed by complementary hydrogen bonding between [Co(III) (H2 bim)3 ](3+) (H2 bim: 2,2'-biimidazole) and TATC(3-) (1,3,5- tricarboxyl-2,4,6-triazinate); the O atoms in the -COO(-) groups of TATC(3-) in the porous outer wall are strongly hydrogen bonded with H2 O, forming two types of WMCs (water molecular clusters): a spirocyclic tetramer chain (SCTC) that forms infinite open 1D channels, and an isolated cyclic tetramer (ICT) present in the void space. The ICT is constructed from four H2 O molecules as a novel C2 -type WMC, which are hydrogen bonded with four-, three-, and two-coordination spheres, respectively. The largest structural fluctuation is observed at elevated temperatures from the two-coordinated H2 O molecules, which begin to rapidly and isotropically fluctuate on heating. This behavior can be rationalized by a simple model for the elucidation of pre-melting phenomena, similar to those in ice surfaces as the temperature increases. Moreover, high proton conductivity of SCTCs (ca. 10(-5) S cm(-1) at 300 K with an activation energy of 0.30 eV) through a proton-hole mechanism was observed for pellet samples using the alternating impedance method. The proton conductivity exhibits a slight enhancement of about 0.1×10(-5) S cm(-1) at 274 K due to a structural transition upon approaching this temperature that elongates the unit cell along the b-axis. The proton-transfer route can be predicted in WMCs, as O(4) of an H2 O molecule at the center of an SCTC shows a motion that rotates the dipole in the b-axis direction, but not the c-axis; the thermal ellipsoids of O(4) based on anisotropic temperature factors obtained by X-ray crystallography reflect a structural fluctuation along the b-axis direction induced by [Co(III) (H2 bim)3 ](3+) .

A direct way to observe absolute molecular handedness

Unique labeling of chiral stereo-centers must include their handedness. The conventional method that has been developed to do this was originated by three chemists: R.S. Cahn, C. Ingold, and V. Prelog (CIP) and is formally known as R,S nomenclature. It requires knowledge of the spatial absolute configuration of that center. Traditionally, experimental methods of extracting handedness go through the absolute configuration and only then through the application of the CIP convention. Here we show that a direct experimental method of determination of the natural handedness by the polarization of tunneling electrons is almost always compatible with the CIP convention. By the sole use of symmetry arguments we show that the chiral molecule symmetry withdraws the need of fine structure splitting. As a consequence, the polarization of electrons tunneling through the molecular electric dipole direction uniquely determines their handedness. The symmetry breaking argument that induces lack of fine-structure splitting eliminates the need for a precise value of the spin-orbit interaction.

Dipole anisotropy in sky brightness and source count distribution in radio NVSS data

We study the dipole anisotropy in number counts and flux density weighted number counts or sky brightness in the NRAO VLA Sky Survey (NVSS) data. The dipole anisotropy is expected due to our local motion with respect to the CMBR rest frame. We analyse data with an improved fit to the number density, n(S), as a function of the flux density S, which allows deviation from a pure power law behaviour. We also impose more stringent cuts to remove the contribution due to clustering dipole. In agreement with earlier results, we find that the amplitude of anisotropy is significantly larger in comparison to the prediction based on CMBR measurements. The extracted speed is found to be roughly 3 times the speed corresponding to CMBR. The significance of deviation is smaller, roughly 2σ, in comparison to earlier estimates. For the cut, S>30mJy, the speed is found to be 1110±370km/s using the source count analysis. The direction of the dipole anisotropy is found to be approximately in agreement with CMBR. We find that the results are relatively insensitive to the lower as well as upper limit imposed on the flux density. Our results suggest that the Universe is intrinsically anisotropic with the axis of anisotropy pointing roughly towards the CMBR dipole direction. Finally we present a method which may allow an independent extraction of the local speed and an intrinsic dipole anisotropy, provided a larger data set becomes available in future.

EEG mean frequency changes in healthy subjects during prefrontal transcranial direct current stimulation

In this pilot study we evaluated electroencephalographic (EEG) mean frequency changes induced by prefrontal transcranial direct current stimulation (tDCS) and investigated whether they depended on tDCS electrode montage. Eight healthy volunteers underwent tDCS for 15 min during EEG recording. They completed six tDCS sessions, 1 wk apart, testing left and right direct current (DC) dipole directions with six different montages: four unipolar montages (one electrode on a prefrontal area, the other on the opposite wrist) and two bipolar montages (both electrodes on prefrontal areas), and a single sham session. EEG power spectra were assessed from four 1-min EEG epochs, before, during, and after tDCS. During tDCS the outcome variable, brain rate (fb), changed significantly, and the changes persisted for minutes after tDCS ended. With the DC dipole directed to the left (anode on the left prefrontal area or wrist), fb increased, and with the DC dipole directed to the right (anode on the right prefrontal area or wrist), fb decreased, suggesting asymmetric prefrontal cortex functional organization in the normal human brain. Anodal and cathodal effects were opposite but equally large. Gender left these effects unchanged.

Utilities detection through the sum of orthogonal polarization in 3D georadar surveys

ABSTRACTGround penetrating radar (GPR) is widely used in subsurface investigations for extracting the position and the route followed by the utility, an issue that gains more and more importance when considering the cost related to trench damage and disruptions. However, it has been noted that various targets of GPR surveys, especially linear and elongated targets, have polarization‐dependent scattering characteristics. This implies that the visibility of a subsurface scatterer in the acquired data depends on the used antenna configuration and its orientation with respect to the feature to be imaged.Furthermore, wave attributes could be modified by the surrounding soil anisotropy and heterogeneity degree. As the GPR antennas are composed of directional dipoles, any changes in the propagation plane of the returning wave affects the recording of GPR data.This work presents an approach based on a combination of mutually orthogonal GPR 3D data volumes through which polarization issues can be overcome, ensuring target detection even when the position and material are adverse. The strategy is evaluated through two field examples: in homogeneous soil this technique fully recovers the polarization mismatch, providing results that are closely similar to the ones that would be obtained with the optimal configuration; in heterogeneous environments it overcomes the wavelet alteration, depolarization included, strongly enhancing the signal to noise ratio and improving target reconstruction.

Sound from boundary layer flow over steps and gaps

This study is concerned with the radiated sound from boundary layer flows over small forward and backward steps and gap configurations of similar dimension. These measurements were performed in the Virginia Tech Anechoic Wall Jet Facility for step heights that ranged from approximately 10 percent to 100 percent of the incoming boundary layer height. The results show the influence of step height and boundary layer edge velocity on the far-field sound from forward and backward steps. Neither source shows clear dipole directivity and at least the larger step heights considered in this study are shown to not be acoustically compact. A new mixed scaling normalization is proposed for the far-field spectra from both types of step. Backward steps are shown to be much weaker producers of far-field sound than similarly sized forward steps. The implications of this behavior are discussed with respect to the far-field sound measured from various gap flows.

Interface control in organic electronics using mixed monolayers of carboranethiol isomers.

We employ mixed self-assembled monolayers of carboranethiols to alter the work function of gold and silver systematically. We use isomers of symmetric carboranethiol cage molecules to vary molecular dipole moments and directions, which enable work function tunability over a wide range with minimal alterations in surface energy. Mixed monolayers of carboranethiol isomers provide an ideal platform for the study and fabrication of solution-processed organic field-effect transistors; improved device performance is demonstrated by interface engineering.

Package Optimization of the Cilium-Type MEMS Bionic Vector Hydrophone

We optimize the package of the cilium-type MEMS bionic vector hydrophone introduced by Chenyang and Wendong in 2007, which has the disadvantages of a low receiving sensitivity, narrow frequency band, and fluctuating frequency response curve. Initially, a full parametric analysis of frequency response and sensitivity with different material sound transparent cap were made. Then, we propose and realize an umbrella-type packaged structure with high receiving sensitivity and wide frequency band. The theoretical analysis and simulation analysis are conducted by ANSYS software and LMS virtual. Lab acoustic software. Finally, to verify the practicability of the package, the umbrella-type packaged hydrophone calibration was carried out in the National Defense Underwater Acoustics Calibration Laboratory of China. The test results show that the performance of umbrella-type hydrophone has been greatly improved compared with the previous packaged hydrophone: exhibiting a receiving sensitivity of -178 dB (increasing by 20 dB, 0-dB reference 1 V/μPa), the frequency response ranging from 20 Hz to 2 kHz (broaden one times), the fluctuation of frequency response curve within ±2 dB, and a good dipole directivity.