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At least 721 records · Page 40

A Study of the Terahertz Spectra of Crystalline Materials (Polyethylene, Poly(Vinylidene Fluoride) form II, and α-D-Glucose) Using NDDO Semiempirical Methods

Semiempirical quantum chemistry methods offer a very interesting compromise between accuracy and computational complexity. The low-frequency vibration modes of three crystalline materials, namely, polyethylene, poly(vinylidene fluoride) form II, and α-D-glucose, have been studied using the PM6 and PM7 Hamiltonians in order to assess the performance of NDDO methods in the interpretation of terahertz spectra. The results have been compared with the available experimental data and former calculations performed using alternative methods. NDDO calculations are in good qualitative or semiquantitative agreement with the experimentally observed terahertz spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characteristic properties of Raman scattering and photoluminescence on ZnO crystals doped through phosphorous-ion implantation

P-doped ZnO was fabricated by means of the ion-implantation method. At the Raman measurement, the blue shift of the E{sub 2}{sup high} mode and A{sub 1}(LO) phonon of the inactive mode were observed after the P-ion implantation. It suggested to be caused by the compressive stress. Thus, Hall effect measurement indicates that the acceptor levels exists in P-doped ZnO while still maintaining n-type ZnO. From the X-ray photoelectron spectroscopy, the chemical bond formation of the P2p{sub 3/2} spectrum consisted of 2(P{sub 2}O{sub 5}) molecules. Therefore, the implanted P ions were substituted to the Zn site in ZnO. From the photoluminescence (PL) spectra, P-related PL peaks were observed in the energy ranges of 3.1 and 3.5 eV, and its origin was analyzed at P{sub Zn}-2V{sub Zn} complexes, acting as a shallow acceptor. With increasing temperatures, the neutral-acceptor bound-exciton emission, (A{sup 0}, X), shows a tendency to quench the intensity and extend the emission linewidth. From the relations of the intensity and the linewidth as a function of temperature, the broadening of linewidth was believed to the result that the vibration mode of E{sub 2}{sup high} participates in the broadening process of (A{sup 0}, X) and the change of luminescent intensity was attributed to the partial dissociation of (A{sup 0}, X). Consequently, these facts indicate that the acceptor levels existed in P-doped ZnO layer by the ion implantation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigation of inelastic electron tunneling spectra of metal-molecule-metal junctions fabricated using direct metal transfer method

We measured the inelastic electron tunneling spectroscopy (IETS) characteristics of metal-molecule-metal junctions made with alkanethiolate self-assembled monolayers. The molecular junctions were fabricated using a direct metal transfer method, which we previously reported for high-yield metal-molecule-metal junctions. The measured IETS data could be assigned to molecular vibration modes that were determined by the chemical structure of the molecules. We also observed discrepancies and device-to-device variations in the IETS data that possibly originate from defects in the molecular junctions and insulating walls introduced during the fabrication process and from the junction structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Time-frequency analysis of non-stationary fusion plasma signals using an improved Hilbert-Huang transform

An improved Hilbert-Huang transform method is developed to the time-frequency analysis of non-stationary signals in tokamak plasmas. Maximal overlap discrete wavelet packet transform rather than wavelet packet transform is proposed as a preprocessor to decompose a signal into various narrow-band components. Then, a correlation coefficient based selection method is utilized to eliminate the irrelevant intrinsic mode functions obtained from empirical mode decomposition of those narrow-band components. Subsequently, a time varying vector autoregressive moving average model instead of Hilbert spectral analysis is performed to compute the Hilbert spectrum, i.e., a three-dimensional time-frequency distribution of the signal. The feasibility and effectiveness of the improved Hilbert-Huang transform method is demonstrated by analyzing a non-stationary simulated signal and actual experimental signals in fusion plasmas.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multipartite entanglement in fermionic systems via a geometric measure

We study multipartite entanglement in a system consisting of indistinguishable fermions. Specifically, we have proposed a geometric entanglement measure for N spin-(1/2) fermions distributed over 2L modes (single-particle states). The measure is defined on the 2L qubit space isomorphic to the Fock space for 2L single-particle states. This entanglement measure is defined for a given partition of 2L modes containing m{>=}2 subsets. Thus this measure applies to m{<=}2L partite fermionic systems where L is any finite number, giving the number of sites. The Hilbert spaces associated with these subsets may have different dimensions. Further, we have defined the local quantum operations with respect to a given partition of modes. This definition is generic and unifies different ways of dividing a fermionic system into subsystems. We have shown, using a representative case, that the geometric measure is invariant under local unitary operators corresponding to a given partition. We explicitly demonstrate the use of the measure to calculate multipartite entanglement in some correlated electron systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrothermal synthesis and study of an inorganic-organic hybrid vanadate of a nickel(II) coordination complex with pyrazine, Ni{sub 3}(C{sub 4}H{sub 4}N{sub 2}){sub 3}(V{sub 8}O{sub 23})

Highlights: {yields} A novel inorganic-organic hybrid vanadate of nickel(II) coordination complex with pyrazine has been synthesized hydrothermally. {yields} The thermal and spectroscopic behavior has been studied. {yields} The compound shows AFM interactions which has been fitted to a magnetic model of lineal chains. -- Abstract: The three-dimensional hybrid compound Ni{sub 3}(C{sub 4}H{sub 4}N{sub 2}){sub 3}(V{sub 8}O{sub 23}) has been synthesized by mild hydrothermal methods under autogenous pressure at 170 {sup o}C. The structure of the phase is stable until 380 {sup o}C. The removal of the pyrazine molecules from the structure induces its collapse. The IR spectrum shows the vibration modes of the pyrazine molecule and those of the [VO{sub 4}]{sup 3-} groups. A UV-visible spectrum shows the characteristic bands of the Ni(II) d{sup 8}-high-spin cation in a slightly distorted octahedral coordination. Magnetic measurements indicate the existence of antiferromagnetic interactions that can be fitted with a chain model to give g = 2.31, J/k = -5.3, and zJ'/k = -5.5.

36 MATERIALS SCIENCE↗

Quantum trajectory analysis of the two-mode three-level atom microlaser

We consider a single-atom laser (microlaser) operating on three-level atoms interacting with a two-mode cavity. The quantum statistical properties of the cavity field at steady state are investigated by the quantum trajectory method which is a Monte Carlo simulation applied to open quantum systems. It is found that a steady-state solution exists even when the detailed balance condition may not be guaranteed. The differences between a single-mode microlaser and a two-mode microlaser are highlighted. The second-order correlation function g{sup (2)}({tau}) of a single mode is studied and special attention is paid to the one-photon trapping state, for which a simple formula is derived for its correlation function. We show the effects of the velocity spread of the atoms used to pump the microlaser cavity on the second-order correlation function, trapping states, and phase transitions of the cavity field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Role of target-substrate distance on the growth of CuInSe{sub 2} thin films by pulsed laser ablation technique

CuInSe{sub 2} thin films have been deposited on corning glass substrates by pulsed laser ablation technique. The chamber pressure and substrate temperature was maintained at 1 × 10{sup −6} torr and 550°C respectively during deposition of the films. The influence of target to substrate (T-S) distance on the structural and optical properties of thin films have been investigated by grazing incidence x-ray diffraction, Raman spectroscopy, scanning electron microscope and UV-Vis-NIR spectroscopy. The study reveals that thin films crystallized in a chalcopyrite structure with highly preferential orientation along (112) plane. Optimum T-S distance has been attained for the growth of thin films with large grain size. An intense Raman peak at 174 cm{sup −1} corresponding to dominant A{sub 1} vibration mode is gradually shifted to smaller wavenumber with the increase in T-S distance. The optical bandgap energy of the films was evaluated and found to vary with the T-S distance. The bandgap tailing was observed to obey the Urbach rule and the Urbach energy was also calculated for the films. Scanning electron micrographs depicts uniform densely packed grains and EDAX studies revealed the elemental composition of CuInSe{sub 2} thin films.

36 MATERIALS SCIENCE↗

Study of the Kinetics of the Phase Transition of the First Order in Tetracosane C{sub 24}H{sub 50} by Fourier-Transform IR Spectroscopy

The kinetics of the development of the structural phase transition of the first order in monodisperse samples of tetracosane C{sub 24}H{sub 50} has been studied using Fourier-transform IR spectroscopy. Temperature dependences of frequencies and intensities of rocking (in the region of ν ~ 720 cm{sup –1}) and bending (in the region of ν ~ 1470 cm{sup –1}) vibration modes of CH{sub 2} groups in trans methylene sequences in crystalline cores of elementary lamellae has been analyzed. It has been shown that the solid-phase transition of the first order develops by the heterogeneous mechanism in a narrow temperature interval ΔT ~ 2 K according to the theory of diffuse phase transitions of the first order and is caused by changes in the symmetry of crystallographic cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nonlinear instability saturation due to quasi-particle trapping in a turbulent plasma

We consider the problem of a single wave mode stability, dispersion, and nonlinear saturation in a turbulent plasma background. We adopt a wave kinetic description for the quasi-particle turbulence and assume a low frequency perturbation of both the plasma and the turbulent spectrum. We describe an improved theoretical approach, which goes beyond the geometric optics approximation and retains the recoil effects associated with the emission and absorption of low frequency waves by nearly resonant quasi-particles. We illustrate the present approach by considering the case of zonal flow excited by drift wave turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Flaw detection in a multi-material multi-layered composite: using fem and air-coupled ut

Ceramic tiles are the main ingredient of a multi-layer multi-material composite being considered for the modernization of tank armors. The high stiffness, low attenuation, and precise dimensions of these uniform tiles make them remarkable resonators when driven to vibrate. This study is aimed at modeling the vibration modes of the tiles and the composite lay-up with finite element analysis and comparing the results with the resonance modes observed in air-coupled ultrasonic excitation of the tiles and armor samples. Defects in the tile, during manufacturing and/or after usage, are expected to change the resonance modes. The comparison of a pristine tile/lay-up and a defective tile/lay-up will thus be a quantitative damage metric. The understanding of the vibration behavior of the tile, both by itself and in the composite lay-up, can provide useful guidance to the nondestructive evaluation of armor panels containing ceramic tiles.

36 MATERIALS SCIENCE↗

Synthesis and characterization of Fe{sub 2}O{sub 3} nanoparticles by simple precipitation method

A simple and efficient synthesis of Iron-oxide nanoparticles was carried out by precipitation method using ferric chloride as precursor and ammonium hydroxide as a stabilizing agent at different calcination temperatures. The synthesized powder was characterized by powder X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscope (FE-SEM) and Transmission Electron Microscopy (TEM). X-ray diffraction indicated the formation hematite Fe{sub 2}O{sub 3} structure. FTIR showed various functional groups of particles and absorption bands related to metal oxygen vibration modes. The heating temperatures were varied at 100 °C, 200°C, and 300°C. The Fe{sub 2}O{sub 3} nanostructures with the average particle size of about 36.22 nm were prepared at 300°C for 4h. TEM study is also confirming the nanosize of Fe{sub 2}O{sub 3} particle. This aqueous precipitation method gives a large scale production of Fe{sub 2}O{sub 3} nanoparticles easily.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Control of liquid crystal molecular orientation using ultrasound vibration

We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5–25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Overview of recent HOM coupler development

Higher Order Mode (HOM) damping is important for SRF applications, especially for high-intensity machines. A good HOM damping design will help to reduce power load to the cryogenic system and to reduce the risk of beam breakup. The design of HOM damping, including antenna/loop HOM couplers, beam pipe HOM absorbers and waveguide HOM couplers, is to solve a multi-physics problem that involves RF, thermal, mechanical, and beam-cavity interaction issues. In this talk, the author provides an overview on the latest advances of the HOM couplers for high-intensity SRF applications.

43 PARTICLE ACCELERATORS↗

Electrical properties and conduction mechanism study by OLPT model of NaZnPO4 compound

Highlights: • The crystal structure was resolved using Fullproof program. • The conduction in NaZn PO{sub 4} is insured by OLPT model. • Ac conductivity of NaZn PO{sub 4} compound obeys the Joncher’s law. - Abstract: A polycrystalline sample with NaZnPO{sub 4} stoichiometry was synthesized by the conventional solid-state reaction and then identified and characterized by X-ray powder diffraction, Raman spectroscopy and impedance spectroscopy. The X-ray diffraction pattern revealed that the composite represents a single phase that crystallizes in the monoclinic system with a P2{sub 1}/n space group. All vibration modes of tetrahedral PO{sub 4} appeared in the Raman spectrum. Besides, the electrical conductivity behavior of the title compound was analysed as a function of frequency ranging from 209 Hz to 1 MHz and at a temperature interval ranging from 578 K to 728 K by means of impedance spectroscopy to elucidate the conduction mechanism in this compound. The temperature dependence of frequency exponent ′s′ showed that the conduction in NaZnPO{sub 4} is insured by the overlapping large polaron tunneling (OLPT) model. A correlation between electrical and structural properties was also depicted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantifying the agreement between observed and simulated extratropical modes of interannual variability

Using historical simulations of the Coupled Model Intercomparison Project-5 (CMIP5) and multiple observationally-based datasets, we employ skill metrics to analyze the fidelity of the simulated Northern Annular Mode, the North Atlantic Oscillation, the Pacific North America pattern, the Southern Annular Mode, the Pacific Decadal Oscillation, the North Pacific Oscillation, and the North Pacific Gyre Oscillation. We assess the benefits of a unified approach to evaluate these modes of variability, which we call the common basis function (CBF) approach, based on projecting model anomalies onto observed empirical orthogonal functions (EOFs). The CBF approach circumvents issues with conventional EOF analysis, eliminating, for example, corrections of arbitrarily assigned, but inconsistent, signs of the EOF’s/PC’s being compared. It also avoids the problem that sometimes the first observed EOF is more similar to a higher order model EOF, particularly if the simulated EOFs are not well separated. Compared to conventional EOF analysis of models, the CBF approach indicates that models compare significantly better with observations in terms of pattern correlation and root-mean-squared-error (RMSE) than heretofore suggested. In many cases, models are doing a credible job at capturing the observationally-based estimates of patterns; however, errors in simulated amplitudes can be large and more egregious than pattern errors. In the context of the broad distribution of errors in the CMIP5 ensemble, sensitivity tests demonstrate that our results are relatively insensitive to methodological considerations (CBF vs. conventional approach), observational uncertainties in pattern (as determined by using multiple datasets), and internal variability (when multiple realizations from the same model are compared). The skill metrics proposed in this study can provide a useful summary of the ability of models to reproduce the observed EOF patterns and amplitudes. Additionally, the skill metrics can be used as a tool to objectively highlight where potential model improvements might be made. Finally, we advocate more systematic and objective testing of simulated extratropical variability, especially during the non-dominant seasons of each mode, when many models are performing relatively poorly.

58 GEOSCIENCES↗

Three-dimensional cooling and detection of a nanosphere with a single cavity

We propose an experimental scheme to cool and measure the three-dimensional (3D) motion of an optically trapped nanosphere in a cavity. Driven by three lasers on TEM00, TEM01, and TEM10 modes, a single cavity can cool a trapped nanosphere to the quantum ground states in all three dimensions under the resolved-sideband condition. Our scheme can also detect an individual collision between a single molecule and a cooled nanosphere efficiently. Such an ability can be used to measure the mass of molecules and the surface temperature of the nanosphere. We also discuss the heating induced by the intensity fluctuation, the pointing instability, and the phase noise of lasers, and justify the feasibility of our scheme under current experimental conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗