WorldWideScience

Sample records for vibrational absorption bands

  1. Temperature dependence of the intensity of the vibration-rotational absorption band ν2 of H2O trapped in an argon matrix

    Science.gov (United States)

    Pitsevich, G.; Doroshenko, I.; Malevich, A..; Shalamberidze, E.; Sapeshko, V.; Pogorelov, V.; Pettersson, L. G. M.

    2017-02-01

    Using two sets of effective rotational constants for the ground (000) and the excited bending (010) vibrational states the calculation of frequencies and intensities of vibration-rotational transitions for J″ = 0 - 2; and J‧ = 0 - 3; was carried out in frame of the model of a rigid asymmetric top for temperatures from 0 to 40 K. The calculation of the intensities of vibration-rotational absorption bands of H2O in an Ar matrix was carried out both for thermodynamic equilibrium and for the case of non-equilibrium population of para- and ortho-states. For the analysis of possible interaction of vibration-rotational and translational motions of a water molecule in an Ar matrix by 3D Schrödinger equation solving using discrete variable representation (DVR) method, calculations of translational frequencies of H2O in a cage formed after one argon atom deleting were carried out. The results of theoretical calculations were compared to experimental data taken from literature.

  2. The absorption spectrum of D2O in the region of 0.97 μm: the 3ν1 + ν3 vibrational-rotational band

    Science.gov (United States)

    Serdyukov, V. I.; Sinitsa, L. N.

    2017-08-01

    The vibrational-rotational absorption spectrum of D2O in the range from 10 120 to 10 450 cm-1 is recorded on a Fourier transform spectrometer with a resolution of 0.05 cm-1. The measurements were performed using a multipass White cell with an optical path length of 24 m. A light-emitting diode with brightness higher than that of other devices was used as a radiation source. The signal-to-noise ratio was about 104. The spectrum is interpreted as consisting of lines of more than 400 transitions. The spectral characteristics of lines (centers, intensities, and half widths) are determined by fitting the Voigt profile parameters to experimental data by the least-squares method. The intensities of lines and the experimental rotational energy levels of the (301) vibrational state of the D2 16O molecule with high rotational quantum numbers are determined for the first time.

  3. Infrared absorption spectra of matrix-isolated cis, cis-HOONO and its ab initio CCSD(T) anharmonic vibrational bands

    Science.gov (United States)

    Zhang, Xu; Nimlos, Mark R.; Ellison, G. Barney; Varner, Mychel E.; Stanton, John F.

    2006-02-01

    The infrared absorption spectra of matrix-isolated cis, cis-peroxynitrous acid (HOONO and DOONO) in argon have been observed. Six of the nine fundamental vibrational modes for cis, cis-HOONO have been assigned definitively, and one tentatively. Coupled-cluster, ab initio anharmonic force field calculations were used to help guide some of the assignments. The experimental matrix frequencies (cm-1) for cis, cis-HOONO are (a'modes)ν1=3303±1,ν2=1600.6±0.6,ν3=1392±1,ν4=922.8±0.5,ν5=789.7±0.4,ν6=617±1; and (a″mode)ν8=462±1. The fundamentals for the deuterated isotopomer, cis, cis-DOONO, are (a'modes)ν1=2447.2±0.6,ν2=1595.7±0.7,ν3=1089.1±0.4,ν4=888.1±0.4,ν5=786.6±0.5,ν6=613.9±0.9; and (a″mode)ν8=456.5±0.5.

  4. Absorption bands in the spectrum of Io

    Science.gov (United States)

    Cruikshank, D. P.; Jones, T. J.; Pilcher, C. B.

    1978-01-01

    Near-infrared spectra of Io in the region from 2.8 to 4.2 microns are reported which show distinct absorption features, the most notable at 4.1 microns. Frozen volatiles or atmospheric gases cannot account for these absorptions, nor do they resemble those seen in common silicate rocks. Several candidate substances, most notably nitrate and carbonate salts, show absorption features in this spectral region; the deepest band in the spectrum may be a nitrate absorption. The satellite surface is shown to be anhydrous, as indicated by the absence of the 3-micron bound water band.

  5. Atmospheric Solar Heating in Minor Absorption Bands

    Science.gov (United States)

    Chou, Ming-Dah

    1998-01-01

    Solar radiation is the primary source of energy driving atmospheric and oceanic circulations. Concerned with the huge computing time required for computing radiative transfer in weather and climate models, solar heating in minor absorption bands has often been neglected. The individual contributions of these minor bands to the atmospheric heating is small, but collectively they are not negligible. The solar heating in minor bands includes the absorption due to water vapor in the photosynthetically active radiation (PAR) spectral region from 14284/cm to 25000/cm, the ozone absorption and Rayleigh scattering in the near infrared, as well as the O2 and CO2 absorption in a number of weak bands. Detailed high spectral- and angular-resolution calculations show that the total effect of these minor absorption is to enhance the atmospheric solar heating by approximately 10%. Depending upon the strength of the absorption and the overlapping among gaseous absorption, different approaches are applied to parameterize these minor absorption. The parameterizations are accurate and require little extra time for computing radiative fluxes. They have been efficiently implemented in the various atmospheric models at NASA/Goddard Space Flight Center, including cloud ensemble, mesoscale, and climate models.

  6. Energetics, structures, vibrational frequencies, vibrational absorption, vibrational circular dichroism and Raman intensities of Leu-enkephalin

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.

    2003-01-01

    Here we present several low energy conformers of Leu-enkephalin (LeuE) calculated with the density functional theory using the Becke 3LYP hybrid functional and the 6-31G* basis set. The structures, conformational energies, vibrational frequencies, vibrational absorption (VA) intensities......, vibrational circular dichroism (VCD) intensities and Raman scattering intensities are reported for the conformers of LeuE which are expected to be populated at room temperature. The species of LeuE-present in non-polar solvents is the neutral non-ionic species with the NH2 and CO2H groups, in contrast...... to the zwitterionic neutral species with the NH3+ and CO2- groups which predominates in aqueous solution and in the crystal. All of our attempts to find the zwitterionic species in the isolated state failed, with the result that a hydrogen atom from the positively charged N-terminus ammonium group transferred either...

  7. Identical gamma-vibrational bands in {sup 165}Ho

    Energy Technology Data Exchange (ETDEWEB)

    Radford, D.C.; Galindo-Uribarri, A.; Janzen, V.P. [Chalk River Labs., Ontario (Canada)] [and others

    1996-12-31

    The structure of {sup 165}Ho at moderate spins has been investigated by means of Coulomb excitation. Two {gamma}-vibrational bands (K{sup {pi}} = 11/2{sup {minus}} and K{sup {pi}} = 3/2{sup {minus}}) are observed, with very nearly identical in-band {gamma}-ray energies. Gamma-ray branching ratios are analyzed to extract information on Coriolis mixing, and the role of the K quantum number in identical bands is discussed.

  8. Glucose Absorption by the Bacillary Band of Trichuris muris

    DEFF Research Database (Denmark)

    Hansen, Tina Vicky Alstrup; Hansen, Michael; Nejsum, Peter

    2016-01-01

    of the bacillary band in living worms was explored using a fluorescent glucose analogue (6-NBDG) and confocal microscopy. To study the absorptive function of the bacillary band in relation to 6-NBDG, the oral uptake was minimised or excluded by sealing the oral cavity with glue and agarose. Principal Findings....... Conclusions/Significance Trichuris muris is dependent on glucose for viability in vitro, and the bacillary band has an absorptive function in relation to 6-NBDG, which accumulates within the stichocytes. The absorptive function of the bacillary band calls for an exploration of its possible role in the uptake...

  9. Triple-band metamaterial absorption utilizing single rectangular hole

    Science.gov (United States)

    Kim, Seung Jik; Yoo, Young Joon; Kim, Young Ju; Lee, YoungPak

    2017-01-01

    In the general metamaterial absorber, the single absorption band is made by the single meta-pattern. Here, we introduce the triple-band metamaterial absorber only utilizing single rectangular hole. We also demonstrate the absorption mechanism of the triple absorption. The first absorption peak was caused by the fundamental magnetic resonance in the metallic part between rectangular holes. The second absorption was generated by induced tornado magnetic field. The process of realizing the second band is also presented. The third absorption was induced by the third-harmonic magnetic resonance in the metallic region between rectangular holes. In addition, the visible-range triple-band absorber was also realized by using similar but smaller single rectangular-hole structure. These results render the simple metamaterials for high frequency in large scale, which can be useful in the fabrication of metamaterials operating in the optical range.

  10. Nonlinear vibration absorption for a flexible arm via a virtual vibration absorber

    Science.gov (United States)

    Bian, Yushu; Gao, Zhihui

    2017-07-01

    A semi-active vibration absorption method is put forward to attenuate nonlinear vibration of a flexible arm based on the internal resonance. To maintain the 2:1 internal resonance condition and the desirable damping characteristic, a virtual vibration absorber is suggested. It is mathematically equivalent to a vibration absorber but its frequency and damping coefficients can be readily adjusted by simple control algorithms, thereby replacing those hard-to-implement mechanical designs. Through theoretical analyses and numerical simulations, it is proven that the internal resonance can be successfully established for the flexible arm, and the vibrational energy of flexible arm can be transferred to and dissipated by the virtual vibration absorber. Finally, experimental results are presented to validate the theoretical predictions. Since the proposed method absorbs rather than suppresses vibrational energy of the primary system, it is more convenient to reduce strong vibration than conventional active vibration suppression methods based on smart material actuators with limited energy output. Furthermore, since it aims to establish an internal vibrational energy transfer channel from the primary system to the vibration absorber rather than directly respond to external excitations, it is especially applicable for attenuating nonlinear vibration excited by unpredictable excitations.

  11. Absorption enhancement of a dual-band metamaterial absorber

    Science.gov (United States)

    Zhong, Min; Han, Gui Ming; Liu, Shui Jie; Xu, Bang Li; Wang, Jie; Huang, Hua Qing

    2017-02-01

    In this paper, we propose and fabricate a dual-band metamaterial absorber in 6-24 THz region. Electric field distribution reveal that the first absorption band is obtained from localized surface plasmon (LSP) modes which are excited both on inside and outside edges of each circular-patterned metal-dielectric stack, while the second absorption band is excited by LSP modes on outside edges of each stack. Measured results indicate that the absorption band width can be tuned by increasing the radius of circular-patterned layers or reducing the thickness of dielectric spacing layers. Moreover, the designed dual-band metamaterial absorber is independent on circular-patterned dielectric layer combinations.

  12. Multi-state analysis of the OCS ultraviolet absorption including vibrational structure

    DEFF Research Database (Denmark)

    Schmidt, Johan Albrecht; Johnson, Matthew Stanley; McBane, G.C.

    2012-01-01

    The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown that...... that the vibrational structures in the center of the band are due to excitation of the 2 (3)A'' triplet state, whereas the structures at very low energies are caused by bending excitation in the potential wells of states 2 (1)A' and 1 (1)A''....

  13. The ν_3 Fundamental Vibrational Band of Scccs Revisited

    Science.gov (United States)

    Salomon, Thomas; Dudek, John B.; Thorwirth, Sven

    2017-06-01

    The ν_3 fundamental vibrational band of carbon subsulfide, SCCCS, first studied by Holland and collaborators has been reinvestigated using a combination of laser ablation production, free-jet expansion and quantum cascade laser spectroscopy. In addition to the fundamental band (located at 2100 cm^{-1}) and associated hot bands originating from the lowest bending mode ν_7, the hot bands from the two energetically higher-lying bending modes ν_5 and ν_6 have been observed for the first time as has the S^{13}CCCS isotopic species. F. Holland, M. Winnewisser, C. Jarman, H. W. Kroto, and K. M. T. Yamada 1988, J. Mol. Spectrosc. 130, 344 F. Holland and M. Winnewisser 1991, J. Mol. Spectrosc. 147, 496

  14. Sub-band-gap absorption in Ga2O3

    Science.gov (United States)

    Peelaers, Hartwin; Van de Walle, Chris G.

    2017-10-01

    β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

  15. Fatigue failure of materials under narrow band random vibrations. I.

    Science.gov (United States)

    Huang, T. C.; Hubbard, R. B.; Lanz, R. W.

    1971-01-01

    A novel approach for the study of fatigue failure of materials under the multifactor influence of narrow band random vibrations is developed. The approach involves the conduction of an experiment in conjunction with various statistical techniques. Three factors including two statistical properties of the excitation or response are considered and varied simultaneously. A minimum of 6 tests for 3 variables is possible for a fractional f actorial design. The four coefficients of the predicting equation can be independently estimated. A look at 3 predicting equations shows the predominant effect of the root mean square stress of the first order equation.

  16. Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

    DEFF Research Database (Denmark)

    Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

    2013-01-01

    absorption (VA) spectroscopy can be used as a useful tool in medical diagnostics that provides in principle additional information and detail to that which can be obtained/provided from conventional histological studies, and more conventional mass spectroscopic and NMR techniques. The use of high level......In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...... and differences in these cells lines utilizing FTIR spectroscopy. We have used the chemometrical and statistical method principal component analysis (PCA) to investigate the spectral differences. We have been able to identify certain bands in the spectra which are so-called biomarkers for two types of cell lines...

  17. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy

    Science.gov (United States)

    Karhu, J.; Nauta, J.; Vainio, M.; Metsälä, M.; Hoekstra, S.; Halonen, L.

    2016-06-01

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring-down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, ν 1 + ν 2 + ν 3 + ν4 1 + ν5 - 1 in the normal mode notation. Single-photon transitions to this state from the vibrational ground state are forbidden. Ten lines of the newly measured state are observed and fitted with the linear least-squares method to extract the band parameters. The vibrational term value was measured to be at 9775.0018(45) cm-1, the rotational parameter B was 1.162 222(37) cm-1, and the quartic centrifugal distortion parameter D was 3.998(62) × 10-6 cm-1, where the numbers in the parenthesis are one-standard errors in the least significant digits.

  18. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy.

    Science.gov (United States)

    Karhu, J; Nauta, J; Vainio, M; Metsälä, M; Hoekstra, S; Halonen, L

    2016-06-28

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring-down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, ν1+ν2+ν3+ν4 (1)+ν5 (-1) in the normal mode notation. Single-photon transitions to this state from the vibrational ground state are forbidden. Ten lines of the newly measured state are observed and fitted with the linear least-squares method to extract the band parameters. The vibrational term value was measured to be at 9775.0018(45) cm(-1), the rotational parameter B was 1.162 222(37) cm(-1), and the quartic centrifugal distortion parameter D was 3.998(62) × 10(-6) cm(-1), where the numbers in the parenthesis are one-standard errors in the least significant digits.

  19. Infrared Spectroscopy of CO Ro-vibrational Absorption Lines toward the Obscured AGN IRAS 08572+3915

    OpenAIRE

    Shirahata, Mai; Nakagawa, Takao; Usuda, Tomonori; Goto, Miwa; Suto, Hiroshi; Geballe, T. R.

    2012-01-01

    We present high-resolution spectroscopy of gaseous CO absorption in the fundamental ro-vibrational band toward the heavily obscured active galactic nucleus (AGN) IRAS 08572+3915. We have detected absorption lines up to highly excited rotational levels (J 200 km s-1) of which is due to blueshifted (-160 km s-1) gas at a temperature of ~ 270 K absorbing at velocities as high as -400 km s-1. A much weaker but even warmer (~ 700 K) component, which is highly redshifted (+100 km s-1), is also dete...

  20. Nanoantenna-assisted plasmonic enhancement of IR absorption of vibrational modes of organic molecules

    Directory of Open Access Journals (Sweden)

    Alexander G. Milekhin

    2017-05-01

    Full Text Available Nanoantenna-assisted plasmonic enhancement of IR absorption and Raman scattering was employed for studying the vibrational modes in organic molecules. Ultrathin cobalt phthalocyanine films (3 nm were deposited on Au nanoantenna arrays with specified structural parameters. The deposited organic films reveal the enhancement of both Raman scattering and IR absorption vibrational modes. To extend the possibility of implementing surface-enhanced infrared absorption (SEIRA for biological applications, the detection and analysis of the steroid hormone cortisol was demonstrated.

  1. Research on Effects of Blast Casting Vibration and Vibration Absorption of Presplitting Blasting in Open Cast Mine

    Directory of Open Access Journals (Sweden)

    Li Ma

    2016-01-01

    Full Text Available The impact energy produced by blast casting is able to break and cast rocks, yet the strong vibration effects caused at the same time would threaten the safety of mines. Based on the theory of Janbu’s Limit Equilibrium Method (LEM, pseudo-static method has been incorporated to analyze the influence of dynamic loads of blasting on slope stability. The horizontal loads produced by blast vibrations cause an increase in sliding forces, and this leads to a lower slope stability coefficient. When the tensile stresses of the two adjacent blast holes are greater than the tensile strength of rock mass, the radical oriented cracks are formed, which is the precondition for the formation of presplit face. Thus, the formula for calculating the blast hole spacing of presplit blasting can be obtained. Based on the analysis of the principles of vibration tester and vibration pick-up in detecting blast vibrations, a detection scheme of blast vibration is worked out by taking the blast area with precrack rear and non-precrack side of the detection object. The detection and research results of blast vibration show that presplit blasting can reduce the attenuation coefficient of stress wave by half, and the vibration absorption ratio could reach 50.2%; the impact of dynamic loads on the end-wall slope stability coefficient is 1.98%, which proves that presplit blasting plays an important role in shock absorption of blast casting.

  2. Vibrational analysis of various irotopes of L-alanyl-L-alanine in aqueous solution: Vibrational Absorption (VA), Vibrational Circular Dichroism (VCD), Raman and Raman Optical Activity (ROA) Spectra

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R.M.; Knapp-Mohammady, M.

    2003-01-01

    been reported. Subsequently, the vibrational absorption (VA) and vibrational circular dichroism (VCD) and the Raman and Raman Optical Activity (ROA) spectra have been reported. In this work an analysis of the aqueous solution VA, VCD, Raman, and ROA spectra for various isotopomers of LALA are reported...... with the experimentally measured spectra. With the DFT, explicit water molecules, and a continuum solvent model we are better able to reproduce the vibrational absorption and Raman spectra than previously reported. The AAT have been implemented at the DFT level, although not within the continuum treatment. The VCD sign...

  3. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy

    NARCIS (Netherlands)

    Karhu, J.; Nauta, J.; Vainio, M.; Metsala, M.; Hoekstra, S.; Halonen, L.

    2016-01-01

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to

  4. Systematics of the K 2·gamma vibrational bands and odd–even ...

    Indian Academy of Sciences (India)

    The structure of the K π. 2· gamma vibrational bands and the quasi-gamma bands of even-Z–even-N nuclei is investigated on a global scale, vis-a-vis the variation of band head, the moment of inertia of the band and the odd–even spin staggering. The variation with N and Z and with spin J of the odd–even spin energy ...

  5. Systematics of the K suppi = 2+ gamma vibrational bands and odd-even staggering

    CERN Document Server

    Gupta, J B

    2003-01-01

    The structure of the K suppi = 2+ gamma vibrational bands and the quasi-gamma bands of even-Z-even-N nuclei is investigated on a global scale, vis-a-vis the variation of band head, the moment of inertia of the band and the odd-even spin staggering. The variation with N and Z and with spin J of the odd-even spin energy staggering index is studied and a unified view of the same is presented. (author)

  6. Microwave absorption behaviour of MWCNT based nanocomposites in X-band region

    National Research Council Canada - National Science Library

    Bhattacharya, P; Sahoo, S; Das, C. K

    2013-01-01

    .... Microwave absorption studies of the nanocomposites were carried out in X-band region. The microwave absorption result was discussed with the help of complex permittivity and permeability of the prepared radar absorbing material (RAM...

  7. Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm

    DEFF Research Database (Denmark)

    Thomsen, Bo; Hansen, Mikkel Bo; Seidler, Peter

    2012-01-01

    We report the theory and implementation of vibrational coupled cluster (VCC) damped response functions. From the imaginary part of the damped VCC response function the absorption as function of frequency can be obtained, requiring formally the solution of the now complex VCC response equations. T...

  8. Improving the mid-infrared energy absorption efficiency by using a dual-band metamaterial absorber

    Directory of Open Access Journals (Sweden)

    Nan Zhang

    2014-04-01

    Full Text Available In this paper, a dual-band mid-infrared metamaterial absorber was proposed to improve the energy absorption efficiency. Up to 99% absorption was obtained at 9.03 and 11.83 μm in the simulation, and each absorption band can be tuned by the dielectric spacing layer, i.e., the dielectric constant and its thickness. The dual-band absorption mechanism was analyzed, and the quite well absorption performance at large incident angles was also presented. The results of this study can be applied in the field of thermal absorbing and solar energy harvesting.

  9. The Near-infrared CO Absorption Band as a Probe to the Innermost Part of an AGN-obscuring Material

    Science.gov (United States)

    Baba, Shunsuke; Nakagawa, Takao; Isobe, Naoki; Shirahata, Mai

    2018-01-01

    We performed a systematic analysis of the 4.67 μm CO ro-vibrational absorption band toward nearby active galactic nuclei (AGNs) and analyzed the absorption profiles of 10 nearby galaxies collected from the AKARI and Spitzer spectroscopic observations that show the CO absorption feature by fitting a plane-parallel local thermal equilibrium gas model. We found that CO gas is warm (200–500 K) and has a large column density ({N}{{H}}≳ {10}23 {{cm}}-2). The heating of the gas is not explicable by either UV heating or shock heating because these processes cannot represent the large column densities of the warm gas. Instead, X-ray photons from the nuclei, which can produce large columns of warm gas with up to {N}{{H}}∼ {10}24 {{cm}}-2, are the most convincing power source. The hydrogen column density estimated from the CO band is smaller than that inferred from X-ray observations. These results indicate that the region probed by the near-infrared CO absorption is in the vicinity of the nuclei and is located outside the X-ray emitting region. Furthermore, the covering factors of nearly unity required by the observed deep absorption profiles suggest that the probed region is close to the continuum source, which can be designated as the inner rim of the obscuring material around the AGN.

  10. Temperature dependent equilibrium native to unfolded protein dynamics and properties observed with IR absorption and 2D IR vibrational echo experiments.

    Science.gov (United States)

    Chung, Jean K; Thielges, Megan C; Bowman, Sarah E J; Bren, Kara L; Fayer, M D

    2011-05-04

    Dynamic and structural properties of carbonmonoxy (CO)-coordinated cytochrome c(552) from Hydrogenobacter thermophilus (Ht-M61A) at different temperatures under thermal equilibrium conditions were studied with infrared absorption spectroscopy and ultrafast two-dimensional infrared (2D IR) vibrational echo experiments using the heme-bound CO as the vibrational probe. Depending on the temperature, the stretching mode of CO shows two distinct bands corresponding to the native and unfolded proteins. As the temperature is increased from low temperature, a new absorption band for the unfolded protein grows in and the native band decreases in amplitude. Both the temperature-dependent circular dichroism and the IR absorption area ratio R(A)(T), defined as the ratio of the area under the unfolded band to the sum of the areas of the native and unfolded bands, suggest a two-state transition from the native to the unfolded protein. However, it is found that the absorption spectrum of the unfolded protein increases its inhomogeneous line width and the center frequency shifts as the temperature is increased. The changes in line width and center frequency demonstrate that the unfolding does not follow simple two-state behavior. The temperature-dependent 2D IR vibrational echo experiments show that the fast dynamics of the native protein are virtually temperature independent. In contrast, the fast dynamics of the unfolded protein are slower than those of the native protein, and the unfolded protein fast dynamics and at least a portion of the slower dynamics of the unfolded protein change significantly, becoming faster as the temperature is raised. The temperature dependence of the absorption spectrum and the changes in dynamics measured with the 2D IR experiments confirm that the unfolded ensemble of conformers continuously changes its nature as unfolding proceeds, in contrast to the native state, which displays a temperature-independent distribution of structures. © 2011

  11. High sensitivity ultra-broad-band absorption spectroscopy applied to inductively-coupled plasmas in Cl/O

    Science.gov (United States)

    Foucher, Mickaël; Carbone, Emile; Booth, Jean-Paul; Chabert, Pascal; LPP-Plasmas froids Team

    2014-10-01

    Broad-band absorption spectroscopy is a powerful diagnostic for reactive plasmas, allowing measurement of the absolute densities of numerous atoms, molecules and free radicals in ground and various excited states. Previously Xe arc lamps have been used as the continuum light source, but these suffer from spatiotemporal fluctuations which limit the sensitivity to about 10-3 in absorption. More recently UV light-emitting diodes have been used, but these only emit over a very limited spectral range. Our new absorption spectroscopy setup uses a laser-driven plasma light source, achromatic optics and an aberration free spectrograph. This light source has ideal characteristics for absorption spectroscopy (high intensity, stability and a wide spectral range (200--1000 nm)), overcoming previous limitations. Noise levels as low as 10-5 can be achieved in single-pass absorption, covering up to 250 nm in a single spectrum. Measurements were made in a 13.56 MHz inductively-coupled plasma reactor in O, Cl and Cl/O mixtures. We observed absorption by Cl, O and ClxOy molecules, and excited state atoms. Whereas the Clvibrational distribution is close to equilibrium with the gas translational temperature, Omolecules show high vibrational excitation (up to v = 18, Tvib12,000 K). However, high resolution spectra of O indicated rotational temperatures up to only 500 K. Many oxychloride molecules were detected in Cl/O mixtures.

  12. One- and two-phonon γ -vibrational bands in neutron-rich 107Mo

    Science.gov (United States)

    Marcellino, J.; Wang, E. H.; Zachary, C. J.; Hamilton, J. H.; Ramayya, A. V.; Bhat, G. H.; Sheikh, J. A.; Dai, A. C.; Liang, W. Y.; Xu, F. R.; Hwang, J. K.; Brewer, N. T.; Luo, Y. X.; Rasmussen, J. O.; Zhu, S. J.; Ter-Akopian, G. M.; Oganessian, Yu. Ts.

    2017-09-01

    Neutron-rich 107Mo has been reinvestigated by analyzing the large statistics γ -γ -γ and γ -γ -γ -γ coincidence data from the spontaneous fission of 252Cf at the Gammasphere detector array. Two new bands have been identified. The potential-energy surface calculations of this nucleus have been performed. The calculations show evidence for the 5 /2+[413 ] configuration of the ground-state band and 7 /2-[523 ] configuration for the 348-keV excited band, as assigned in previous work. The two bands newly established are proposed to be one- and two-phonon γ -vibrational bands built on the 7 /2-[523 ] Nilsson orbital, respectively, in the current paper. Triaxial projected shell-model (TPSM) calculations have been performed to explain the level structure and are found in fair agreement with experimental data. In particular, the TPSM study confirms the γ - and γ γ -vibrational structure for the two observed excited band structures. Systematics of the one- and two-phonon γ -vibrational bands in the A ˜100 Mo series is also discussed.

  13. Optical Salisbury screen with design-tunable resonant absorption bands

    Science.gov (United States)

    Nath, Janardan; Smith, Evan; Maukonen, Douglas; Peale, Robert E.

    2014-05-01

    A thin-film selective absorber at visible and near infra-red wavelengths is demonstrated. The structure consists of an optically thick layer of gold, a SiO2 dielectric spacer and a partially transparent gold film on top. The optical cavity so formed traps and absorbs light at a resonance wavelength determined by the film thicknesses. Observed fundamental-resonance absorption strengths are in the range 93%-97%. The absorption red-shifts and broadens as the thickness of the top gold layer is decreased with little change in absorption strength. Thus, strong absorption with design-tunable wavelength and width is achieved easily by unstructured blanket depositions. Observed angle-dependent spectra agree well with the recent three-layer analytical model of Shu et al. [Opt. Express 21, 25307 (2013)], if effective medium approximation is used to calculate the permittivity of the top gold film when it becomes discontinuous at the lowest thicknesses.

  14. Fatigue failure of materials under broad band random vibrations

    Science.gov (United States)

    Huang, T. C.; Lanz, R. W.

    1971-01-01

    The fatigue life of material under multifactor influence of broad band random excitations has been investigated. Parameters which affect the fatigue life are postulated to be peak stress, variance of stress and the natural frequency of the system. Experimental data were processed by the hybrid computer. Based on the experimental results and regression analysis a best predicting model has been found. All values of the experimental fatigue lives are within the 95% confidence intervals of the predicting equation.

  15. Molecular design for improved photovoltaic efficiency: band gap and absorption coefficient engineering

    KAUST Repository

    Mondal, Rajib

    2009-01-01

    Removing the adjacent thiophene groups around the acceptor core in low band gap polymers significantly enhances solar cell efficiency through increasing the optical absorption and raising the ionization potential of the polymer. © 2009 The Royal Society of Chemistry.

  16. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy

    CERN Document Server

    Karhu, J; Vainio, M; Metsälä, M; Hoekstra, S; Halonen, L

    2016-01-01

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, $\

  17. Phononic band gaps and vibrations in one- and two-dimensional mass-spring structures

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard

    2003-01-01

    The vibrational response of finite periodic lattice structures subjected to periodic loading is investigated. Special attention is devoted to the response in frequency ranges with gaps in the band structure for the corresponding infinite periodic lattice. The effects of boundaries, viscous dampin...

  18. Vibration-rotation bands of CH in the solar infrared spectrum and the solar carbon abundance

    NARCIS (Netherlands)

    Grevesse, N.; Lambert, D.L.; Sauval, A.J.; Dishoeck, van E.F.; Farmer, C.B.; Norton, R.H.

    1991-01-01

    High resolution solar spectra obtained from the ATMOS Fourier Transform Spectrometer (Spacelab 3 flight on April 29-May 6, 1985) have made it possible to identify and measure a large number of lines of the vibration-rotation fundamental bands of the X2 Pi state of CH. From about 100 lines of the

  19. Vibrational spectroscopy of triacetone triperoxide (TATP): Anharmonic fundamentals, overtones and combination bands

    Science.gov (United States)

    Brauer, Brina; Dubnikova, Faina; Zeiri, Yehuda; Kosloff, Ronnie; Gerber, R. Benny

    2008-12-01

    The vibrational spectrum of triacetone triperoxide (TATP) is studied by the correlation-corrected vibrational self-consistent field (CC-VSCF) method which incorporates anharmonic effects. Fundamental, overtone, and combination band frequencies are obtained by using a potential based on the PM3 method and yielding the same harmonic frequencies as DFT/cc-pVDZ calculations. Fundamentals and overtones are also studied with anharmonic single-mode (without coupling) DFT/cc-pVDZ calculations. Average deviations from experiment are similar for all methods: 2.1-2.5%. Groups of degenerate vibrations form regions of numerous combination bands with low intensity: the 5600-5800 cm -1 region contains ca. 70 overtones and combinations of CH stretches. Anharmonic interactions are analyzed.

  20. Rotational and vibrational bands in {sup 108}Pd

    Energy Technology Data Exchange (ETDEWEB)

    Alcantara-Nunez, J.A.; Oliveira, J.R.B.; Cybulska, E.W.; Medina, N.H.; Rao, M.N.; Ribas, R.V.; Rizzutto, M.A.; Seale, W.A.; Falla-Sotelo, F. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica

    2004-09-15

    The {sup 108}Pd nucleus has been studied with the {sup 100}Mo({sup 11}B, p2n{gamma}) reaction at 43 MeV incident energy. {gamma}-{gamma}-t, {gamma}-{gamma}-charged particle coincidences and directional correlation ratios were measured using the {gamma} spectrometer formed by four Compton suppressed HPGe detectors and a 4{pi} charged-particle ancillary detector system. The structure of the bands was interpreted within the framework of the cranked shell model and total Routhian calculations. (author)

  1. Atmospheric absorption of high frequency noise and application to fractional-octave bands

    Science.gov (United States)

    Shields, F. D.; Bass, H. E.

    1977-01-01

    Pure tone sound absorption coefficients were measured at 1/12 octave intervals from 4 to 100 KHz at 5.5K temperature intervals between 255.4 and 310.9 K and at 10 percent relative humidity increments between 0 percent and saturation in a large cylindrical tube (i.d., 25.4 cm; length, 4.8 m). Special solid-dielectric capacitance transducers, one to generate bursts of sound waves and one to terminate the sound path and detect the tone bursts, were constructed to fit inside the tube. The absorption was measured by varying the transmitter receiver separation from 1 to 4 m and observing the decay of multiple reflections or change in amplitude of the first received burst. The resulting absorption was compared with that from a proposed procedure for computing sound absorption in still air. Absorption of bands of noise was numerically computed by using the pure tone results. The results depended on spectrum shape, on filter type, and nonlinearly on propagation distance. For some of the cases considered, comparison with the extrapolation of ARP-866A showed a difference as large as a factor of 2. However, for many cases, the absorption for a finite band was nearly equal to the pure tone absorption at the center frequency of the band. A recommended prediction procedure is described for 1/3 octave band absorption coefficients.

  2. Analysis of longitudinal vibration band gaps in periodic carbon nanotube intramolecular junctions using finite element method

    Directory of Open Access Journals (Sweden)

    Jiaqian Li

    2015-12-01

    Full Text Available The longitudinal vibration band gaps in periodic (n, 0–(2n, 0 single-walled carbon nanotube(SWCNT intramolecular junctions(IMJs are investigated based on the finite element calculation. The frequency ranges of band gaps in frequency response functions(FRF simulated by finite element method (FEM show good agreement with those in band structure obtained by simple spring-mass model. Moreover, a comprehensive parametric study is also conducted to highlight the influences of the geometrical parameters such as the size of unit cell, component ratios of the IMJs and diameters of the CNT segments as well as geometric imperfections on the first band gap. The results show that the frequency ranges and the bandwidth of the gap strongly depend on the geometrical parameters. Furthermore, the influences of geometrical parameters on gaps are nuanced in IMJs with different topological defects. The existence of vibration band gaps in periodic IMJs lends a new insight into the development of CNT-based nano-devices in application of vibration isolation.

  3. Experimental investigation of the 0{sub 2}{sup +} band in {sup 154}Sm as a β-vibrational band

    Energy Technology Data Exchange (ETDEWEB)

    Smallcombe, J., E-mail: james.smallcombe@outlook.com [Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom); Davies, P.J.; Barton, C.J.; Jenkins, D.G. [Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom); Andersson, L.L.; Butler, P.A.; Cox, D.M.; Herzberg, R.-D.; Mistry, A.; Parr, E. [Oliver Lodge Laboratory, University of Liverpool, Liverpool L69 9ZE (United Kingdom); Grahn, T.; Greenlees, P.T. [Department of Physics, University of Jyväskylä, FI-40014 (Finland); Hauschild, K. [Department of Physics, University of Jyväskylä, FI-40014 (Finland); CSNSM-IN2P3-CNRS, Université Paris-Sud, 91406 Orsay (France); Herzan, A.; Jakobsson, U.; Jones, P.; Julin, R.; Juutinen, S.; Ketelhut, S.; Leino, M. [Department of Physics, University of Jyväskylä, FI-40014 (Finland); and others

    2014-05-01

    A study of {sup 154}Sm through γ-ray and internal conversion electron coincidence measurements was performed using the Silicon And GErmanium spectrometer (SAGE). An upper limit for the ρ{sup 2}(E0;2{sub 2}{sup +}→2{sub 1}{sup +}) and measurement of the ρ{sup 2}(E0;4{sub 2}{sup +}→4{sub 1}{sup +}) monopole transitions strengths were determined. The extracted transition strength for each is significantly lower than that predicted by either the Bohr and Mottelson β-vibration description or the interacting boson model. Hence, the long standing interpretation of these states as a collective band built on the 0{sub 2}{sup +} state, which is conventionally assigned as a Bohr and Mottelson β vibration is questionable.

  4. Electromagnetic wave absorption properties of carbon powder from catalysed carbon black in X and Ku bands

    Energy Technology Data Exchange (ETDEWEB)

    Wen Bin [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China); State Key Laboratory of Materials Modification by Laser, Electron and Ion Beams, Dalian University of Technology, Dalian 116023 (China); Zhao Jijun [State Key Laboratory of Materials Modification by Laser, Electron and Ion Beams, Dalian University of Technology, Dalian 116023 (China); College of Advanced Science and Technology, Dalian University of Technology, Dalian 116023 (China); Duan Yuping [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China); Zhang Xingguo [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China); Zhao Yanbo [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China); Dong Chuang [State Key Laboratory of Materials Modification by Laser, Electron and Ion Beams, Dalian University of Technology, Dalian 116023 (China); Liu Shunhua [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China); Li Tingju [School of Materials Science and Engineering and Laboratory of Special Processing of Raw Materials, Dalian University of Technology, Dalian 116023 (China)

    2006-05-07

    Carbon powder from catalysed carbon black (CPCCB) was prepared after a pyrogenation of carbon black (CB) with nanosized iron catalyst at atmospheric pressure and a temperature of 1100 deg. C. The complex relative permittivity and permeability of the CPCCB were measured by a reflection/transmission technique in the X and Ku bands. The reflection loss of CPCCB/paraffin wax composite was recorded. A wider absorption frequency range in the X band and Ku band could be obtained by adding 3 vol.% and 6 vol.% CPCCB in paraffin wax, respectively. Our results indicate that CPCCB could be a promising microwave absorption material.

  5. Optical Absorption of Impurities and Defects in Semiconducting Crystals Electronic Absorption of Deep Centres and Vibrational Spectra

    CERN Document Server

    Pajot, Bernard

    2013-01-01

    This book outlines, with the help of several specific examples, the important role played by absorption spectroscopy in the investigation of deep-level centers introduced in semiconductors and insulators like diamond, silicon, germanium and gallium arsenide by high-energy irradiation, residual impurities, and defects produced during crystal growth. It also describes the crucial role played by vibrational spectroscopy to determine the atomic structure and symmetry of complexes associated with light impurities like hydrogen, carbon, nitrogen and oxygen, and as a tool for quantitative analysis of these elements in the materials.

  6. Numerically optimized band boundaries of Planck mean absorption coefficients in air plasma

    Science.gov (United States)

    Kloc, P.; Aubrecht, V.; Bartlova, M.

    2017-08-01

    Radiation heat transfer plays an important role in the energy balance of plasma in an electric arc and its accurate prediction is essential for the development of new electrical devices. Unfortunately, a very complex spectrum of the absorption coefficient makes accurate radiation heat transfer calculations a very challenging task, especially with complex geometries. Numerical approximation of the absorption coefficient is therefore commonly used to reduce computing demands. This paper presents our contribution to the topic of computing requirements reduction, namely the problem of frequency band selection for mean absorption coefficients (MACs). We show that, with the proper band distribution and averaging method, even a very low number of bands can be sufficient for an accurate approximation of the real radiation heat transfer. The band selection process is based upon numerical optimization with a mean value of each band being calculated as a line limited Planck MAC. Both the line limiting factor and associated characteristic plasma absorption length are investigated in detail and an optimal value equal to the three plasma radii is proposed. Tables for three bands mean absorption coefficients in air at the pressure of 1 bar and temperature range spanning from 300 K to 30 kK are included in this paper. These tables serve as input parameters for a fast evaluation of radiation transfer using either the P1 or discrete ordinates method (DOM) approximation with satisfactory accuracy.

  7. Influence of Duschinsky and Herzberg-Teller effects on S₀→ S₁ vibrationally resolved absorption spectra of several porphyrin-like compounds.

    Science.gov (United States)

    Yang, Pan; Qi, Dan; You, Guojian; Shen, Wei; Li, Ming; He, Rongxing

    2014-09-28

    The S0 → S1 (Q band) high-resolved absorption spectra of three porphyrin-like compounds, porphycene, magnesium porphyrin, and zinc tetraazaporphyrin, were simulated in the framework of the Franck-Condon approximation including the Duschinsky and Herzberg-Teller (HT) contributions. Substitution of meso-aza on porphyrin macrocycle framework could change severely the absorption energy, vibrational intensity, and spectral profile of Q band. Therefore, we focused attention on the spectral similarities and contrasts among the three compounds based on the density functional theory and its time-dependent extension calculations. The simulated spectra agreed well with the experimental ones and further confirmed that the HT and Duschinsky effects have significant influence on the weakly allowed or forbidden transition of sizable organic molecules. The pure HT and Duschinsky effects were explored separately to clarify their contributions on changing vibrational intensities of different modes. Moreover, we tentatively assigned most of the vibrational modes which appeared in the experimental spectra but corresponding assignments were not given. The present work provided a useful method to simulate and interpret the absorption spectra of porphyrin-like compounds.

  8. Influence of Duschinsky and Herzberg-Teller effects on S0 → S1 vibrationally resolved absorption spectra of several porphyrin-like compounds

    Science.gov (United States)

    Yang, Pan; Qi, Dan; You, Guojian; Shen, Wei; Li, Ming; He, Rongxing

    2014-09-01

    The S0 → S1 (Q band) high-resolved absorption spectra of three porphyrin-like compounds, porphycene, magnesium porphyrin, and zinc tetraazaporphyrin, were simulated in the framework of the Franck-Condon approximation including the Duschinsky and Herzberg-Teller (HT) contributions. Substitution of meso-aza on porphyrin macrocycle framework could change severely the absorption energy, vibrational intensity, and spectral profile of Q band. Therefore, we focused attention on the spectral similarities and contrasts among the three compounds based on the density functional theory and its time-dependent extension calculations. The simulated spectra agreed well with the experimental ones and further confirmed that the HT and Duschinsky effects have significant influence on the weakly allowed or forbidden transition of sizable organic molecules. The pure HT and Duschinsky effects were explored separately to clarify their contributions on changing vibrational intensities of different modes. Moreover, we tentatively assigned most of the vibrational modes which appeared in the experimental spectra but corresponding assignments were not given. The present work provided a useful method to simulate and interpret the absorption spectra of porphyrin-like compounds.

  9. Varied absorption peaks of dual-band metamaterial absorber analysis by using reflection theory

    Science.gov (United States)

    Xiong, Han; Yu, Yan-Tao; Tang, Ming-Chun; Chen, Shi-Yong; Liu, Dan-Ping; Ou, Xiang; Zeng, Hao

    2016-03-01

    Cross-resonator metamaterial absorbers (MMA) have been widely investigated from microwave to optical frequencies. However, only part of the factors influencing the absorption properties were analyzed in previous works at the same time. In order to completely understand how the spacer thickness, dielectric parameter and incidence angle affect the absorption properties of the dual-band MMA, two sets of simulation were performed. It was found that with increasing incident angles, the low-frequency absorption peak showed a blue shift, while the high-frequency absorption peaks showed a red shift. However, with the increase in spacer thickness, both of the absorption peaks showed a red shift. By using the reflection theory expressions, the physical mechanism of the cross-resonator MMA was well explained. This method provides an effective way to analyze multi-band absorber in technology.

  10. C3H2 : A wide-band-gap semiconductor with strong optical absorption

    Science.gov (United States)

    Lu, Hong-Yan; Cuamba, Armindo S.; Geng, Lei; Hao, Lei; Qi, Yu-Min; Ting, C. S.

    2017-10-01

    Using first-principles calculations, we predict a new type of partially hydrogenated graphene system, C3H2 , which turns out to be a semiconductor with a band gap of 3.56 eV. The bands are rather flat at the band edges and thus lead to a large density of states, which further results in strong optical absorption between the valence band and the conduction band. Particularly, it shows strong optical absorption at about 4.5 eV for the light polarized along the lines connecting the nearest unhydrogenated carbon atoms. Thus, the predicted C3H2 system may have potential applications for a polarizer as well as other high-efficiency optical devices in the near ultraviolet region.

  11. The absorption property of single crystal LuBiIG garnet film in terahertz band

    Science.gov (United States)

    Yang, Qing-Hui; Zhang, Huai-Wu; Wen, Qi-Ye; Liu, Ying-Li

    2012-04-01

    In this paper, a hypothesis has been brought forward that the materials with low propagation loss in both optical and microwave band may exhibit good performance in terahertz (THz) band because THz wave band interspaces those two wave bands. Several kinds of single crystal garnet films were investigated and we found that the Lu2.1Bi0.9Fe5O12 film which grows by liquid phase epitaxy (LPE) from PbO-free flux has the best absorption properties in both microwave and optical band. In THz range, our hypothesis is well confirmed by a THz-TDS measurement which shows that the absorption coefficient of LuBiIG film is 0.05-0.3 cm-1, and the minimum value appears at 2.24 THz.

  12. Vibrational excitation of hydrogen molecules by two-photon absorption and third-harmonic generation

    Science.gov (United States)

    Miyamoto, Yuki; Hara, Hideaki; Hiraki, Takahiro; Masuda, Takahiko; Sasao, Noboru; Uetake, Satoshi; Yoshimi, Akihiro; Yoshimura, Koji; Yoshimura, Motohiko

    2018-01-01

    We report the coherent excitation of the vibrational state of hydrogen molecules by two-photon absorption and the resultant third-harmonic generation (THG). Parahydrogen molecules cooled by liquid nitrogen are irradiated by mid-infrared nanosecond pulses at 4.8 μm with a nearly Fourier-transform-limited linewidth. The first excited vibrational state of parahydrogen is populated by two-photon absorption of the mid-infrared photons. Because of the narrow linewidth of the mid-infrared pulses, coherence between the ground and excited states is sufficient to induce higher-order processes. Near-infrared photons from the THG are observed at 1.6 μm. The dependence of the intensity of the near-infrared radiation on mid-infrared pulse energy, target pressure, and cell length is determined. We used a simple formula for THG with consideration of realistic experimental conditions to explain the observed results.

  13. The effective air absorption coefficient for predicting reverberation time in full octave bands.

    Science.gov (United States)

    Wenmaekers, R H C; Hak, C C J M; Hornikx, M C J

    2014-12-01

    A substantial amount of research has been devoted to producing a calculation model for air absorption for pure tones. However, most statistical and geometrical room acoustic prediction models calculate the reverberation time in full octave bands in accordance with ISO 3382-1 (International Organization for Standardization, 2009). So far, the available methods that allow calculation of air absorption in octave bands have not been investigated for room acoustic applications. In this paper, the effect of air absorption on octave band reverberation time calculations is investigated based on calculations. It is found that the approximation method, as described in the standard ANSI S1.26 (American National Standards Institute, 1995), fails to estimate accurate decay curves for full octave bands. In this paper, a method is used to calculate the energy decay curve in rooms based on a summation of pure tones within the band. From this decay curve, which is found to be slightly concave upwards, T20 and T30 can be determined. For different conditions, an effective intensity attenuation coefficient mB ;eff for the full octave bands has been calculated. This mB ;eff can be used for reverberation time calculations, if results are to be compared with T20 or T30 measurements. Also, guidelines are given for the air absorption correction of decay curves, measured in a scale model.

  14. Inverse problem of the vibrational band gap of periodically supported beam

    Science.gov (United States)

    Shi, Xiaona; Shu, Haisheng; Dong, Fuzhen; Zhao, Lei

    2017-04-01

    The researches of periodic structures have a long history with the main contents confined in the field of forward problem. In this paper, the inverse problem is considered and an overall frame is proposed which includes two main stages, i.e., the band gap criterion and its optimization. As a preliminary investigation, the inverse problem of the flexural vibrational band gap of a periodically supported beam is analyzed. According to existing knowledge of its forward problem, the band gap criterion is given in implicit form. Then, two cases with three independent parameters, namely the double supported case and the triple one, are studied in detail and the explicit expressions of the feasible domain are constructed by numerical fitting. Finally, the parameter optimization of the double supported case with three variables is conducted using genetic algorithm aiming for the best mean attenuation within specified frequency band.

  15. a Hamiltonian to Obtain a Global Frequency Analysis of all the Vibrational Bands of Ethane

    Science.gov (United States)

    Moazzen-Ahmadi, Nasser; Norooz Oliaee, Jalal

    2016-06-01

    The interest in laboratory spectroscopy of ethane stems from the desire to understand the methane cycle in the atmospheres of planets and their moons and from the importance of ethane as a trace species in the terrestrial atmosphere. Solar decomposition of methane in the upper part of these atmospheres followed by a series of reactions leads to a variety of hydrocarbon compounds among which ethane is often the second most abundant species. Because of its high abundance, ethane spectra have been measured by Voyager and Cassini in the regions around 30, 12, 7, and 3 μm. Therefore, a complete knowledge of line parameters of ethane is crucial for spectroscopic remote sensing of planetary atmospheres. Experimental characterization of torsion-vibration states of ethane lying below 1400 cm-1 have been made previously, but extension of the Hamiltonian model for treatment of the strongly perturbed νb{8} fundamental and the complex band system of ethane in the 3 micron region requires careful examination of the operators for many new torsionally mediated vibration-rotation interactions. Following the procedures outlined by Hougen, we have re-examined the transformation properties of the total angular momentum, the translational and vibrational coordinates and momenta of ethane, and for vibration-torsion-rotation interaction terms constructed by taking products of these basic operators. It is found that for certain choices of phase, the doubly degenerate vibrational coordinates with and symmetry can be made to transform under the group elements in such a way as to yield real matrix elements for the torsion-vibration-rotation couplings whereas other choices of phase may require complex algebra. In this talk, I will discuss the construction of a very general torsion-vibration-rotation Hamiltonian for ethane, as well as the prospect for using such a Hamiltonian to obtain a global frequency analysis (based in large part on an extension of earlier programs and ethane fits^a from

  16. Composite 3D-printed metastructures for low-frequency and broadband vibration absorption

    Science.gov (United States)

    Matlack, Kathryn H.; Bauhofer, Anton; Krödel, Sebastian; Palermo, Antonio; Daraio, Chiara

    2016-07-01

    Architected materials that control elastic wave propagation are essential in vibration mitigation and sound attenuation. Phononic crystals and acoustic metamaterials use band-gap engineering to forbid certain frequencies from propagating through a material. However, existing solutions are limited in the low-frequency regimes and in their bandwidth of operation because they require impractical sizes and masses. Here, we present a class of materials (labeled elastic metastructures) that supports the formation of wide and low-frequency band gaps, while simultaneously reducing their global mass. To achieve these properties, the metastructures combine local resonances with structural modes of a periodic architected lattice. Whereas the band gaps in these metastructures are induced by Bragg scattering mechanisms, their key feature is that the band-gap size and frequency range can be controlled and broadened through local resonances, which are linked to changes in the lattice geometry. We demonstrate these principles experimentally, using advanced additive manufacturing methods, and inform our designs using finite-element simulations. This design strategy has a broad range of applications, including control of structural vibrations, noise, and shock mitigation.

  17. Direct measurement of additional Ar-H2O vibration-rotation-tunneling bands in the millimeter-submillimeter range

    Science.gov (United States)

    Zou, Luyao; Widicus Weaver, Susanna L.

    2016-06-01

    Three new weak bands of the Ar-H2O vibration-rotation-tunneling spectrum have been measured in the millimeter wavelength range. These bands were predicted from combination differences based on previously measured bands in the submillimeter region. Two previously reported submillimeter bands were also remeasured with higher frequency resolution. These new measurements allow us to obtain accurate information on the Coriolis interaction between the 101 and 110 states. Here we report these results and the associated improved molecular constants.

  18. Estimation of enhancement in third-order nonlinear susceptibility induced by a sharpening absorption band

    Science.gov (United States)

    Yoshimura, Tetsuzo

    1989-04-01

    We derived an empirical relationship between |χ (3)| and absorption spectra based on a simple two-level model. We calculated third-order nonlinear susceptibility for a methanol solution of rose bengal (RB), a polydiacetylene thin film (PDA), and a GaAlAs/ GaAs multiple quantum well (MQW) using the relationship. The estimated values are of the same order as the experimental ones. We also investigated the effect of the sharpening absorption bandwidth on |χ (3)| enhancement, and found that |χ (3)| of 10 -6 esu can be expected if the width of the PDA absorption band is reduced by one order of magnitude.

  19. Multimode Vibrational Wave Packet Dynamics of Strong-Field-Ionized Methyl Iodide Probed by Femtosecond XUV Absorption Spectroscopy

    Science.gov (United States)

    Loh, Zhi-Heng; Wei, Zhengrong; Li, Jialin

    2017-04-01

    Studies of vibrational wave packets (VWPs) created on the neutral electronic ground-state by intense laser fields have identified R -selective depletion (RSD) as the dominant mechanism for their generation. Another mechanism that is proposed to give rise to VWPs, bond softening (BS), remains hitherto unobserved. Here, we employ femtosecond XUV absorption spectroscopy to investigate the VWP dynamics of CH3 I induced by intense laser fields. Analysis of the first-moment time traces computed about the neutral depletion region reveals both the fundamental and the hot bands of the C-I stretch mode. The initial oscillation phases of these vibrations distinguishes the contributions of RSD and BS to the generation of the VWP in the neutral species. The relative oscillation amplitudes that are associated with the two phases suggest that the C-I VWP is generated predominantly by BS. In the case of the CH3 I+ X 2E3 / 2 ion state, VWP motion along the C-I stretch mode is dominant over the CH3 umbrella mode. Moreover, the amplitudes of the VWPs are only 1 pm (C-I distance) and 1° (H-C-I bond angle). The ability to resolve such VWP dynamics points to the exquisite sensitivity of femtosecond XUV absorption spectroscopy to structural changes. This work is supported by a NTU start-up Grant, the A*Star SERC PSF (122-PSF-0011), the Ministry of Education AcRF (MOE2014-T2-2-052), and the award of a Nanyang Assistant Professorship to Z.-H.L.

  20. Infrared Spectroscopy of CO Ro-Vibrational Absorption Lines toward the Obscured AGN IRAS 08572+3915

    Science.gov (United States)

    Shirahata, Mai; Nakagawa, Takao; Usuda, Tomonori; Goto, Miwa; Suto, Hiroshi; Geballe, Thomas R.

    2013-02-01

    We present high-resolution spectroscopy of gaseous CO absorption in the fundamental ro-vibrational band toward the heavily obscured active galactic nucleus (AGN) IRAS 08572+3915. We have detected absorption lines up to highly excited rotational levels (J ≤ 17). The velocity profiles reveal three distinct components, the strongest and broadest (Δυ > 200 km s-1) of which is due to blueshifted (-160 km s-1) gas at a temperature of ˜270 K absorbing at velocities as high as -400 km s-1. A much weaker but even warmer (˜700 K) component, which is highly redshifted (+100 km s-1), is also detected, in addition to a cold (˜20 K) component centered at the systemic velocity of the galaxy. On the assumption of local thermodynamic equilibrium, the column density of CO in the 270 K component is NCO ˜4.5 × 1018 cm-2, which in fully molecular gas corresponds to an H2 column density of NH2 ˜ 2.5 × 1022 cm-2. The thermal excitation of CO up to the observed high rotational levels requires a density greater than nc (H2) > 2 × 107cm-3, implying that the thickness of the warm absorbing layer is extremely small (Δd warm components, as well as their temperatures, indicate that they originate in molecular clouds near the central engine of the AGN.

  1. Effect of Atmospheric Absorption Bands on the Optimal Design of Multijunction Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    McMahon, William E.; Friedman, Daniel J.; Geisz, John F.

    2017-06-26

    Designing terrestrial multijunction (MJ) cells with 5+ junctions is challenging, in part because the presence of atmospheric absorption bands creates a design space with numerous local maxima. Here we introduce a new taxonomical structure which facilitates both numerical convergence and the visualization of the resulting designs.

  2. Band instability in near-critical fluids subjected to vibration under weightlessness

    Science.gov (United States)

    Lyubimova, T.; Ivantsov, A.; Garrabos, Y.; Lecoutre, C.; Gandikota, G.; Beysens, D.

    2017-01-01

    Periodical patterns (bands) developing at the interface of two immiscible fluids under vibration parallel to interface are observed under zero-gravity conditions. Fluids are slightly below their liquid-vapor critical point where they behave in a scaled, universal manner. In addition, liquid and vapor densities are close and surface tension is very low. Linear stability analyses and direct numerical simulation show that this instability, although comparable to the frozen wave instability observed in a gravity field, is nonetheless noticeably different when gravity becomes zero. In particular, the neutral curve minimum corresponds to the long-wave perturbations with k =0 and zero dimensionless vibrational parameter, corresponding to no instability threshold. The pattern wavelength thus corresponds to the wavelength of the perturbations with maximal growth rate. This wavelength differs substantially from the neutral perturbations wavelength at the same vibrational parameter value. The role of viscosity is highlighted in the pattern formation, with a critical wavelength dependence on vibration parameters that strongly depends on viscosity. These results compare well with experimental observations performed in the liquid-vapor phases near the critical point of C O2 (in weightlessness) and H2 (under magnetic levitation).

  3. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

    Science.gov (United States)

    Sajan, D.; Devi, T. Uma; Safakath, K.; Philip, Reji; Němec, Ivan; Karabacak, M.

    2013-05-01

    FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential photonic applications.

  4. Isothermal annealing of a 620 nm optical absorption band in Brazilian topaz crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isotani, Sadao, E-mail: sisotani@if.usp.br [Instituto de Física, Universidade de São Paulo, São Paulo (Brazil); Matsuoka, Masao [Instituto de Física, Universidade de São Paulo, São Paulo (Brazil); Albuquerque, Antonio Roberto Pereira Leite [University Federal of São Paulo, São Paulo (Brazil)

    2013-04-15

    Isothermal decay behaviors, observed at 515, 523, 562, and 693 K, for an optical absorption band at 620 nm in gamma-irradiated Brazilian blue topaz were analyzed using a kinetic model consisting of O{sup −} bound small polarons adjacent to recombination centers (electron traps). The kinetic equations obtained on the basis of this model were solved using the method of Runge–Kutta and the fit parameters describing these defects were determined with a grid optimization method. Two activation energies of 0.52±0.08 and 0.88±0.13 eV, corresponding to two different structural configurations of the O{sup −} polarons, explained well the isothermal decay curves using first-order kinetics expected from the kinetic model. On the other hand, thermoluminescence (TL) emission spectra measured at various temperatures showed a single band at 400 nm in the temperature range of 373–553 K in which the 620 nm optical absorption band decreased in intensity. Monochromatic TL glow curve data at 400 nm extracted from the TL emission spectra observed were found to be explained reasonably by using the knowledge obtained from the isothermal decay analysis. This suggests that two different structural configurations of O{sup −} polarons are responsible for the 620 nm optical absorption band and that the thermal annealing of the polarons causes the 400 nm TL emission band.

  5. Dual-Band Perfect Absorption by Breaking the Symmetry of Metamaterial Structure

    Science.gov (United States)

    Hai, Le Dinh; Qui, Vu Dinh; Dinh, Tiep Hong; Hai, Pham; Giang, Trinh Thị; Cuong, Tran Manh; Tung, Bui Son; Lam, Vu Dinh

    2017-06-01

    Since the first proposal of Landy et al. (Phys Rev Lett 100:207402, 2008), the metamaterial perfect absorber (MPA) has rapidly become one of the most crucial research trends. Recently, dual-band, multi-band and broadband MPA have been highly desirable in electronic applications. In this paper, we demonstrate and evaluate a MPA structure which can generate dual-band absorption operating at the microwave frequency by breaking the symmetry of structure. There is an agreement between simulation and experimental results. The results can be explained by using the equivalent LC circuit and the electric field distribution of this structure. In addition, various structures with different symmetry configurations were studied to gain greater insight into the absorption.

  6. Numerical calculation of acoustic radiation from band-vibrating structures via FEM/FAQP method

    Directory of Open Access Journals (Sweden)

    GAO Honglin

    2017-08-01

    Full Text Available The Finite Element Method (FEM combined with the Frequency Averaged Quadratic Pressure method (FAQP are used to calculate the acoustic radiation of structures excited in the frequency band. The surface particle velocity of stiffened cylindrical shells under frequency band excitation is calculated using finite element software, the normal vibration velocity is converted from the surface particle velocity to calculate the average energy source (frequency averaged across intensity, frequency averaged across pressure and frequency averaged across velocity, and the FAQP method is used to calculate the average sound pressure level within the bandwidth. The average sound pressure levels are then compared with the bandwidth using finite element and boundary element software, and the results show that FEM combined with FAQP is more suitable for high frequencies and can be used to calculate the average sound pressure level in the 1/3 octave band with good stability, presenting an alternative to applying frequency-by-frequency calculation and the average frequency process. The FEM/FAQP method can be used as a prediction method for calculating acoustic radiation while taking the randomness of vibration at medium and high frequencies into consideration.

  7. Vibration absorption in systems with a nonlinear energy sink: Nonlinear damping

    Science.gov (United States)

    Starosvetsky, Y.; Gendelman, O. V.

    2009-07-01

    In this work, response regimes are investigated in a system comprising of a linear oscillator (subject to harmonic excitation) and a nonlinear energy sink (NES) with nonlinear damping characteristics. An analytical technique for the treatment of certain class of nonlinear damping functions is developed. Special attention is paid to the case of piecewise-quadratic damping, motivated by possible applications. It is demonstrated that the NES with a properly tuned piecewise-quadratic damping element allows complete elimination of undesirable periodic regimes. In this way, an efficient system of vibration absorption is obtained, and its performance can overcome that of a tuned mass damper (TMD). Numerical results agree satisfactorily with the analytical predictions.

  8. Multifunctional TiN nanowires for wide band absorption in organic solar cells

    Science.gov (United States)

    Magdi, Sara; Gan, Qiaoqiang; Swillam, Mohamed A.

    2017-02-01

    One of the key issues limiting the efficiency of organic solar cells is the narrow absorption band of the polymer active layer. Thus, a huge amount of the incident sunlight is lost. Here, a new structure is theoretically proposed achieving wide band absorption in organic solar cells using multifunctional TiN nanowires. In addition to the plasmonic properties of TiN, it was reported that TiN has the capability to produce free carriers upon light absorption. Thus, the structure is based on the ability to collect these photo-generated carriers. Using the combination of TiN and polymer significantly broadened the absorption band due to the ability of TiN to localize light inside P3HT:PC70BM in addition to its ability to absorb light at longer wavelengths. The optimized structure enhanced the absorbed power by 95% and the optimal short circuit current by 123% over the same structure without the TiN nanowires. Electric field distribution is studied at different wavelengths to gain further insight on the localization of light inside the structure.

  9. Novel Cross-Band Relative Absorption (CoBRA) technique For Measuring Atmospheric Species

    Science.gov (United States)

    Prasad, N. S.; Pliutau, D.

    2013-12-01

    We describe a methodology called Cross-Band Relative Absorption (CoBRA) we have implemented to significantly reduce interferences due to variations in atmospheric temperature and pressure in molecular mixing ration measurements [1-4]. The interference reduction is achieved through automatic compensation based on selecting spectral line pairs exhibiting similar evolution behavior under varying atmospheric conditions. The method is applicable to a wide range of molecules including CO2 and CH4 which can be matched with O2 or any other well-mixed atmospheric molecule. Such matching results in automatic simultaneous adjustments of the spectral line shapes at all times with a high precision under varying atmospheric conditions of temperature and pressure. We present the results of our selected CoBRA analysis based on line-by-line calculations and the Modern Era Retrospective Analysis for Research and Applications (MERRA) dataset including more recent evaluation of the error contributions due to water vapor interference effects. References: 1) N. S. Prasad, D. Pliutau, 'Cross-band relative absorption technique for the measurement of molecular mixing ratios.', Optics Express, Vol. 21, Issue 11, pp. 13279-13292 (2013) 2) D. Pliutau and N. S. Prasad, "Cross-band Relative Absorption Technique for Molecular Mixing Ratio Determination," in CLEO: 2013, OSA Technical Digest (online) (Optical Society of America, 2013), paper CW3L.4. 3) Denis Pliutau; Narasimha S. Prasad; 'Semi-empirical validation of the cross-band relative absorption technique for the measurement of molecular mixing ratios',.Proc. SPIE 8731, Laser Radar Technology and Applications XVIII, 87310L (May 20, 2013); doi:10.1117/12.2016661. 4) Denis Pliutau,; Narasimha S. Prasad; 'Comparative analysis of alternative spectral bands of CO2 and O2 for the sensing of CO2 mixing ratios' Proc. SPIE 8718, Advanced Environmental, Chemical, and Biological Sensing Technologies X, 87180L (May 31, 2013); doi:10.1117/12.2016337.

  10. A sextuple-band ultra-thin metamaterial absorber with perfect absorption

    Science.gov (United States)

    Yu, Dingwang; Liu, Peiguo; Dong, Yanfei; Zhou, Dongming; Zhou, Qihui

    2017-08-01

    This paper presents the design, simulation and measurement of a sextuple-band ultra-thin metamaterial absorber (MA). The unit cell of this proposed structure is composed of triangular spiral-shaped complementary structures imprinted on the dielectric substrate backed by a metal ground. The measured results are in good agreement with simulations with high absorptivities of more than 90% at all six absorption frequencies. In addition, this proposed absorber has good performances of ultra-thin, polarization insensitivity and a wide-angle oblique incidence, which can easily be used in many potential applications such as detection, imaging and sensing.

  11. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    OpenAIRE

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-01-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption...

  12. Complementary graphene metamaterial with independently tunable dual absorption bands at terahertz frequency

    Science.gov (United States)

    Li, Lei; Cao, Maoyong; Li, Tongtong; Meng, Lihua; Zhang, Huiyun; Zhang, Yuping

    2017-10-01

    We design an independently tunable dual-band terahertz absorber consisting of graphene ribbons patterned with a combination of two complementary crosses of different sizes within a unit-cell. The Fermi energy of the interdigitated graphene ribbons can be tuned independently via applied gate voltages. Our simulations indicate that the absorption at two resonant bands can be ~75% under normal incidence. In addition, our design allows independent tuning of the resonant frequencies by changing the Fermi energy of graphene via controlling the applied bias voltages. Our results may find application in developing frequency tunable terahertz modulators, sensors, and detectors.

  13. Electromagnetic and Microwave Absorption Properties of the Flake-Shaped Pr-Ho-Fe Alloys in the C-Band

    Science.gov (United States)

    Luo, Jialiang; Pan, Shunkang; Qiao, Ziqiang; Cheng, Lichun; Wang, Zhenzhong; Lin, Peihao; Chang, Junqing

    2018-01-01

    The polycrystalline samples Pr x Ho2- x Fe17 ( x = 0.0, 0.1, 0.2, 0.3, 0.4) were prepared by arc melting and high-energy ball milling method. The influences of Pr substitution on phase structure, morphology, saturation magnetization and electromagnetic parameters were investigated by x-ray diffraction, scanning electron microscopy, vibrating-sample magnetometry and vector network analyzer, respectively. The results show that the particle size increased and the saturation magnetization decreased with increasing Pr content. The minimum absorption peak frequency shifted towards a lower-frequency region with increasing Pr concentration. The minimum RL of Pr0.3Ho1.7Fe17 powder was -41.03 dB at 6.88 GHz with a coating thickness of 2.0 mm. With different thickness of 1.8-2.8 mm, the minimum reflection loss (RL) of Pr0.3Ho1.7Fe17 powder was less than -20 dB in the whole C-band (4-8 GHz). The microwave-absorbing properties of the composite with different weight ratios of Pr0.3Ho1.7Fe17/Co were researched. The microwave-absorbing peaks of the composites shifted to a lower frequency with increasing Co content. The minimum RL of Pr0.3Ho1.7Fe17/Co(10%) was -42.51 dB at 4.72 GHz with a coating thickness of 2.6 mm. This suggests that the Pr-Ho-Fe will be a promising microwave absorption material in higher-gigahertz frequency, especially in the C-band.

  14. Dual-band absorption of mid-infrared metamaterial absorber based on distinct dielectric spacing layers.

    Science.gov (United States)

    Zhang, Nan; Zhou, Peiheng; Cheng, Dengmu; Weng, Xiaolong; Xie, Jianliang; Deng, Longjiang

    2013-04-01

    We present the simulation, fabrication, and characterization of a dual-band metamaterial absorber in the mid-infrared regime. Two pairs of circular-patterned metal-dielectric stacks are employed to excite the dual-band absorption peaks. Dielectric characteristics of the dielectric spacing layer determine energy dissipation in each resonant stack, i.e., dielectric or ohmic loss. By controlling material parameters, both two mechanisms are introduced into our structure. Up to 98% absorption is obtained at 9.03 and 13.32 μm in the simulation, which is in reasonable agreement with experimental results. The proposed structure holds promise for various applications, e.g., thermal radiation modulators and multicolor infrared focal plane arrays.

  15. PHASE ANGLE EFFECTS ON 3 μm ABSORPTION BAND ON CERES: IMPLICATIONS FOR DAWN MISSION

    Energy Technology Data Exchange (ETDEWEB)

    Takir, D.; Reddy, V.; Sanchez, J. A.; Corre, L. Le [Planetary Science Institute, 1700 E Fort Lowell Road, Suite 106, Tucson, AZ 85719 (United States); Hardersen, P. S. [Department of Space Studies, University of North Dakota, Grand Forks, ND 58202 (United States); Nathues, A., E-mail: dtakir@psi.edu [Max-Planck-Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany)

    2015-05-01

    Phase angle-induced spectral effects are important to characterize since they affect spectral band parameters such as band depth and band center, and therefore skew mineralogical interpretations of planetary bodies via reflectance spectroscopy. Dwarf planet (1) Ceres is the next target of NASA’s Dawn mission, which is expected to arrive in 2015 March. The visible and near-infrared mapping spectrometer (VIR) on board Dawn has the spatial and spectral range to characterize the surface between 0.25–5.0 μm. Ceres has an absorption feature at 3.0 μm due to hydroxyl- and/or water-bearing minerals. We analyzed phase angle-induced spectral effects on the 3 μm absorption band on Ceres using spectra measured with the long-wavelength cross-dispersed (LXD: 1.9–4.2 μm) mode of the SpeX spectrograph/imager at the NASA Infrared Telescope Facility. Ceres LXD spectra were measured at different phase angles ranging from 0.°7 to 22°. We found that the band center slightly increases from 3.06 μm at lower phase angles (0.°7 and 6°) to 3.07 μm at higher phase angles (11° and 22°), the band depth decreases by ∼20% from lower phase angles to higher phase angles, and the band area decreases by ∼25% from lower phase angles to higher phase angles. Our results will have implications for constraining the abundance of OH on the surface of Ceres from VIR spectral data, which will be acquired by Dawn starting spring 2015.

  16. A Group Theoretical and Quantum Chemical Study of Electronic Absorption and Fluorescence, Vibrational Spectra, and Conformations of Trimethine Cyanine Dye Molecules

    Directory of Open Access Journals (Sweden)

    Vita Solomko

    2016-01-01

    Full Text Available The energetic structures and conformations of trimethine cyanine dye molecules were investigated. For research, group theoretical and quantum chemical calculation methods were used. The theoretical group analysis of electronic and vibrational structure of molecules was carried out. Also, the energetic structures and conformations of the molecule of this dye were studied. Research shows that the investigated molecule may reside in three different conformational states, one of which is highly symmetric (symmetry C2v and the other two with low symmetry. The third conformer is characterized by lowering of binding energy of the electronic system by 0.23 eV, and the long-wavelength absorption band is shifted to lower energies. Also the group theoretical analysis of the trimethine cyanine molecule had allowed systematizing the vibrational and electronic quantum transitions and identifying the bands in the absorption spectra. It is shown that the excitation of the molecule in S1-state causes trans-cis-isomerization. The presence of the barrier of ~0.1 eV allows the fluorescence process to compete with isomerization process, but isomerization causes a decrease in the fluorescence quantum yield of the dye.

  17. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.

    2000-01-01

    A detailed comparative study of structures, vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra has been carried out for the zwitterionic structure of the amino acid L-alanine. Theoretically determined structures necessary for deriving VA and VCD spectra were calculated...... at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...

  18. Electrically tunable and broader-band sound absorption by using micro-perforated dielectric elastomer actuator

    Science.gov (United States)

    Lu, Zhenbo; Shrestha, Milan; Lau, Gih-Keong

    2017-05-01

    Most membrane-type acoustic absorbers for low-frequency sound attenuation are applicable only at a fixed resonant frequency for a narrow bandwidth. Tuning of the acoustic absorption spectrum is desired to match the varying noises. This letter presents a micro-perforated dielectric elastomer actuator (MPDEA) to make a broader-band acoustic absorber electrically tunable. Voltage activation of the MPDEA reduces the membrane tension and hole size and thus enables the active shifting of the acoustic absorption spectrum. Such a membrane tuning method does not require discrete mechanical parts as for the cavity tuning method. Also presented are the analytical models to predict the voltage-induced hole size change and acoustic characteristics of MPDEA.

  19. Microwave absorption behaviour of MWCNT based nanocomposites in X-band region

    Directory of Open Access Journals (Sweden)

    C. K. Das

    2013-03-01

    Full Text Available Multiwall carbon nanotube (MWCNT based nanocomposites were prepared by a two-step process. Firstly, titanium dioxide (TiO2 coated MWCNT was prepared via sol-gel technique. In the second step, the acid modified MWCNTs were dispersed in the thermoplastic polyurethane matrix by solution blending process. Characterizations of the nanocomposites were done by X-ray diffraction analysis, X-ray photoelectron spectroscopy, Scanning Electron Microscopy, Transmission Electron Microscopy and Energy-dispersive X-ray spectroscopy. Microwave absorption studies of the nanocomposites were carried out in X-band region. The microwave absorption result was discussed with the help of complex permittivity and permeability of the prepared radar absorbing material (RAM. The result showed superior microwave absorption property of the composite containing both TiO2 coated MWCNT and magnetite (Fe3O4. This result is due to the effective absorption of both electrical and magnetic components of the microwave. RAM-MW, RAM-Ti, RAM-Ti@MW and RAMTi@ MW/Fe and showed the maximum reflection loss of –16.03 dB at 10.99 GHz, –8.4 dB at 12.4 GHz, –36.44 dB at 12.05 GHz and –42.53 dB at 10.98 GHz respectively. Incorporation of MWCNT enhanced the thermal stability of the composite which has been confirmed by thermogravimetric analysis.

  20. Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands

    Science.gov (United States)

    Norooz Oliaee, J.; Dehghany, M.; Rezaei, Mojtaba; McKellar, A. R. W.; Moazzen-Ahmadi, N.

    2016-11-01

    The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm-1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm-1); the out-of-plane torsion (23.24 cm-1); twice the disrotatory bend (31.51 cm-1); and the in-plane conrotatory bend (92.25 cm-1). The disrotatory bend and torsion, separated by only 0.98 cm-1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm-1 below the conrotatory bend, remains unassigned.

  1. Lateral vibration behavior analysis and TLD vibration absorption design of the soft yoke single-point mooring system

    Science.gov (United States)

    Lyu, Bai-cheng; Wu, Wen-hua; Yao, Wei-an; Du, Yu

    2017-06-01

    Mooring system is the key equipment of FPSO safe operation. The soft yoke mooring system is regarded as one of the best shallow water mooring strategies and widely applied to the oil exploitation in the Bohai Bay in China and the Gulf of Mexico. Based on the analysis of numerous monitoring data obtained by the prototype monitoring system of one FPSO in the Bohai Bay, the on-site lateral vibration behaviors found on the site of the soft yoke subject to wave load were analyzed. ADAMS simulation and model experiment were utilized to analyze the soft yoke lateral vibration and it was determined that lateral vibration was resonance behaviors caused by wave excitation. On the basis of the soft yoke longitudinal restoring force being guaranteed, a TLD-based vibration damper system was constructed and the vibration reduction experiments with multi-tank space and multi-load conditions were developed. The experimental results demonstrated that the proposed TLD vibration reduction system can effectively reduce lateral vibration of soft yoke structures.

  2. Transient absorption spectroscopy of ultra-low band gap polymers for organic electronic applications

    Science.gov (United States)

    Fallon, Kealan J.; Dimitrov, Stoichko; Durrant, James; Bronstein, Hugo; Clarke, Tracey M.

    2016-09-01

    In this paper two extremely narrow band-gap polymers, based on naturally occurring indigo with high thin film crystallinity, have been examined using transient absorption spectroscopy. This was done in order to assess their charge photogeneration and recombination characteristics in blends with PC71BM. Two charge photogeneration mechanisms are found to be operating, depending on which component of the blend is photoexcited. Despite virtually isoenergetic LUMO levels, photoexcitation of the polymer causes standard electron transfer, albeit with a relatively low efficiency of 17 %. Photoexcitation of the fullerene, however, produces an exceptionally slow nanosecond timescale hole transfer.

  3. Observation of Ortho-Para Dependence of Pressure Broadening Coefficient in Acetylene νb{1}+νb{3} Vibration Band Using Dual-Comb Spectroscopy

    Science.gov (United States)

    Iwakuni, Kana; Okubo, Sho; Inaba, Hajime; Onae, Atsushi; Hong, Feng-Lei; Sasada, Hiroyuki; Yamada, Koichi MT

    2016-06-01

    We observe that the pressure-broadening coefficients depend on the ortho-para levels. The spectrum is taken with a dual-comb spectrometer which has the resolution of 48 MHz and the frequency accuracy of 8 digit when the signal-to-noise ratio is more than 20. In this study, about 4.4-Tz wide spectra of the P(31) to R(31) transitions in the νb{1}+νb{3} vibration band of 12C_2H_2 are observed at the pressure of 25, 60, 396, 1047, 1962 and 2654 Pa. Each rotation-vibration absorption line is fitted to Voight function and we determined pressure-broadening coefficients for each rotation-vibration transition. The Figure shows pressure broadening coefficient as a function of m. Here m is J"+1 for R and -J" for P-branch. The graph shows obvious dependence on ortho and para. We fit it to Pade function considering the population ratio of three-to-one for the ortho and para levels. This would lead to detailed understanding of the pressure boarding mechanism. S. Okubo et al., Applied Physics Express 8, 082402 (2015)

  4. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays

    Science.gov (United States)

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-10-01

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies.

  5. Ultra-wideband microwave absorber by connecting multiple absorption bands of two different-sized hyperbolic metamaterial waveguide arrays.

    Science.gov (United States)

    Yin, Xiang; Long, Chang; Li, Junhao; Zhu, Hua; Chen, Lin; Guan, Jianguo; Li, Xun

    2015-10-19

    Microwave absorbers have important applications in various areas including stealth, camouflage, and antenna. Here, we have designed an ultra-broadband light absorber by integrating two different-sized tapered hyperbolic metamaterial (HMM) waveguides, each of which has wide but different absorption bands due to broadband slow-light response, into a unit cell. Both the numerical and experimental results demonstrate that in such a design strategy, the low absorption bands between high absorption bands with a single-sized tapered HMM waveguide array can be effectively eliminated, resulting in a largely expanded absorption bandwidth ranging from 2.3 to 40 GHz. The presented ultra-broadband light absorber is also insensitive to polarization and robust against incident angle. Our results offer a further step in developing practical artificial electromagnetic absorbers, which will impact a broad range of applications at microwave frequencies.

  6. Cholesterol absorption decreases after Roux-en-Y gastric bypass but not after gastric banding.

    Science.gov (United States)

    Pihlajamäki, Jussi; Grönlund, Sari; Simonen, Marko; Käkelä, Pirjo; Moilanen, Leena; Pääkkönen, Matti; Pirinen, Elina; Kolehmainen, Marjukka; Kärjä, Vesa; Kainulainen, Sakari; Uusitupa, Matti; Alhava, Esko; Miettinen, Tatu A; Gylling, Helena

    2010-06-01

    The differences in cholesterol metabolism after the 2 most common forms of obesity surgery, Roux-en-Y gastric bypass (RYGB) and gastric banding (GB), have not been well characterized. In this study, effects of RYGB and GB on cholesterol absorption and synthesis were investigated. To this aim, 1-year follow-up of cholesterol metabolism in 2 nonrandomized cohorts undergoing either RYGB (n = 29; age, 45.2 +/- 7.7 years; body mass index [BMI], 46.0 +/- 6.1 kg/m(2)) or GB (n = 26; age, 45.9 +/- 8.6 years; BMI, 50.1 +/- 7.7 kg/m(2)) was performed in a university hospital center specializing in the treatment of morbid obesity. Serum markers of cholesterol synthesis (cholestenol, desmosterol, and lathosterol) and cholesterol absorption (campesterol, sitosterol, avenasterol, and cholestanol) were measured preoperatively and at follow-up and expressed as ratios to cholesterol. As expected based on observed weight loss (25% after RYGB and 17% after GB, P cholesterol synthesis markers by 12% to 28% (all Ps cholesterol absorption markers was only observed after RYGB (-26% for sitosterol) and not after GB (+16%, P = 2 x 10(-6) for difference between the groups). The difference in sitosterol ratio between the groups remained significant after adjustment for age, BMI, fasting insulin levels, and nutritional status (P = 2 x 10(-4)), indicating a specific effect related to RYGB. We conclude that decrease in cholesterol absorption is a novel beneficial effect of RYGB. Together with an improved control of blood glucose, this may contribute to a better cardiovascular risk profile after RYGB. Copyright 2010 Elsevier Inc. All rights reserved.

  7. Molar Absorptivities of Ultraviolet and Visible Bands of Ozone in Aqueous Solutions

    DEFF Research Database (Denmark)

    Hart, E.J.; Sehested, Knud; Holcman, J.

    1983-01-01

    by absorbance measurements of the gas at 253.7 nm and by oxidation of FeSO4 in H2SO4 solution followed by back-titration of excess Fe2+ with KMnO4. Spectrophotometric analysis of Fe3+ was also used at low ozone concentrations. A stoichiometric ratio, Fe3+/O3, of 1.996 .+-. 0.036 was found. The visible spectrum......The molar absorptivities of aqueous ozone solutions [.epsilon.(O3)] are reported for the wavelength ranges 190-300 nm and 350-900 nm. At the maxima of these bands, .epsilon.260(O3) = 3292 .+-. 70 M-1 cm-1 and .epsilon.590(O3) = 5.1 .+-. 0.1 M-1 cm-1. The analyses for ozone were carried out...... of aqueous O3 is compared with that of ozone gas....

  8. Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments

    Science.gov (United States)

    Meng, Yan; Wu, Qi; Chen, Lei; Wangmo, Sonam; Gao, Yang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Dajun; Niehaus, Thomas A.; Frauenheim, Thomas

    2013-11-01

    To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), 1,3-cyclohexadiene (C6H8(1)) and 1,4-cyclohexadiene (C6H8(2)), using the density-functional tight-binding (DFTB) method. Interestingly, we find obviously different characteristics in Raman vibrational and ultraviolet visible absorption spectra of the small molecules adsorbed on the graphene sheet. Specifically, we find that both spectra involve clearly different characteristic peaks, belonging to the different small molecules upon adsorption, with the ones of ionized molecules being more substantial. Further analysis shows that the adsorptions are almost all due to the presence of dispersion energy in neutral cases and involve charge transfer from the graphene to the small molecules. In contrast, the main binding force in the ionic adsorption systems is the electronic interaction. The results present clear signatures that can be used to recognize different kinds of aromatic hydrocarbon rings on graphene sheets. We expect that our findings will be helpful for designing molecular recognition devices using graphene.To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), 1,3-cyclohexadiene (C6H8(1)) and 1,4-cyclohexadiene (C6H8(2)), using the density-functional tight-binding (DFTB) method. Interestingly, we find obviously different characteristics in

  9. Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and SrSeO4.

    Science.gov (United States)

    Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Placida; Proctor, John E; Sapiña, Fernando; Bettinelli, Marco

    2015-08-03

    The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gaps smaller than 2.5 eV and selenates higher than 4.3 eV. In the chromates (selenates), the upper part of the valence band is dominated by O 2p states and the lower part of the conduction band is composed primarily of electronic states associated with the Cr 3d and O 2p (Se 4s and O 2p) states. Calculations also show that the band gap of PbCrO4 (PbSeO4) is smaller than the band gap of SrCrO4 (SrSeO4). This phenomenon is caused by Pb states, which, to some extent, also contribute to the top of the valence band and the bottom of the conduction band. The agreement between experiments and calculations is quite good; however, the band gaps are underestimated by calculations, with the exception of the bang gap of SrCrO4, for which theory and calculations agree. Calculations also provide predictions of the bulk modulus of the studied compounds.

  10. Self-absorption theory applied to rocket measurements of the nitric oxide (1, 0) gamma band in the daytime thermosphere

    Science.gov (United States)

    Eparvier, F. G.; Barth, C. A.

    1992-01-01

    Observations of the UV fluorescent emissions of the NO (1, 0) and (0, 1) gamma bands in the lower-thermospheric dayglow, made with a sounding rocket launched on March 7, 1989 from Poker Flat, Alaska, were analyzed. The resonant (1, 0) gamma band was found to be attenuated below an altitude of about 120 km. A self-absorption model based on Holstein transmission functions was developed for the resonant (1, 0) gamma band under varying conditions of slant column density and temperature and was applied for the conditions of the rocket flight. The results of the model agreed with the measured attenuation of the band, indicating the necessity of including self-absorption theory in the analysis of satellite and rocket limb data of NO.

  11. Continuum definition for Ceres absorption bands at 3.1, 3.4 and 4.0 μm

    Science.gov (United States)

    Galiano, A.; Palomba, E.; Longobardo, A.; Zinzi, A.; De Sanctis, M. C.; Raponi, A.; Carrozzo, F. G.; Ciarniello, M.; Dirri, F.

    2017-09-01

    The images and hyperspectral data acquired during various Dawn mission phases (e.g. Survey, HAMO and LAMO) allowed identifying regions of different albedo on Ceres surface, where absorption bands located at 3.4 and 4.0 μm can assume different shapes. The 3.1 μm feature is observed on the entire Ceres surface except on Cerealia Facula, the brightest spot located on the dome of Occator crater. To perform a mineralogical investigation, absorption bands in reflectance spectra should be properly isolated by removing spectral continuum; hence, parameters as band centers and band depths must be estimated. The problem in the defining the continuum is in the VIR spectral range, which ends at 5.1 μm even though the reliable data, where the thermal contribution is properly removed, stops at 4.2 μm. Band shoulders located at longer wavelengths cannot be estimated. We defined different continua, with the aim to find the most appropriate to isolate the three spectral bands, whatever the region and the spatial resolution of hyperspectral images. The linear continuum seems to be the most suitable definition for our goals. Then, we performed an error evaluation on band depths and band centers introduced by this continuum definition.

  12. Retrieval of phytoplankton and colored detrital matter absorption coefficients with remote sensing reflectance in an ultraviolet band.

    Science.gov (United States)

    Wei, Jianwei; Lee, Zhongping

    2015-02-01

    The light absorption of phytoplankton and colored detrital matter (CDM), which includes contribution of gelbstoff and detrital matters, has distinctive yet overlapping features in the ultraviolet (UV) and visible domain. The CDM absorption (a(dg)) increases exponentially with decreasing wavelength while the absorption coefficient of phytoplankton (a(ph)) generally decreases toward the shorter bands for the range of 350-450 nm. It has long been envisioned that including ocean color measurements in the UV range may help the separation of these two components from the remotely sensed ocean color spectrum. An attempt is made in this study to provide an analytical assessment of this expectation. We started with the development of an absorption decomposition model [quasi-analytical algorithm (QAA)-UV], analogous to the QAA, that partitions the total absorption coefficient using information at bands 380 and 440 nm. Compared to the retrieval results relying on the absorption information at 410 and 440 nm of the original QAA, our analyses indicate that QAA-UV can improve the retrieval of a(ph) and a(dg), although the improvement in accuracy is not significant for values at 440 nm. The performance of the UV-based algorithm is further evaluated with in situ measurements. The limited improvement observed with the field measurements highlights that the separation of a(dg) and a(ph) is highly dependent on the accuracy of the ocean color measurements and the estimated total absorption coefficient.

  13. Flow induced vibrations of the CLIC X-Band accelerating structures

    CERN Document Server

    Charles, Tessa; Boland, Mark; Riddone, Germana; Samoshkin, Alexandre

    2011-01-01

    Turbulent cooling water in the Compact Linear Collider (CLIC) accelerating structures will inevitably induce some vibrations. The maximum acceptable amplitude of vibrations is small, as vibrations in the accelerating structure could lead to beam jitter and alignment difficulties. A Finite Element Analysis model is needed to identify the conditions under which turbulent instabilities and significant vibrations are induced. Due to the orders of magnitude difference between the fluid motion and the structure’s motion, small vibrations of the structure will not contribute to the turbulence of the cooling fluid. Therefore the resonant conditions of the cooling channels presented in this paper, directly identify the natural frequencies of the accelerating structures to be avoided under normal operating conditions. In this paper a 2D model of the cooling channel is presented finding spots of turbulence being formed from a shear layer instability. This effect is observed through direct visualization and wavelet ana...

  14. The impact of different multi-walled carbon nanotubes on the X-band microwave absorption of their epoxy nanocomposites.

    Science.gov (United States)

    Che, Bien Dong; Nguyen, Bao Quoc; Nguyen, Le-Thu T; Nguyen, Ha Tran; Nguyen, Viet Quoc; Van Le, Thang; Nguyen, Nieu Huu

    2015-01-01

    Carbon nanotube (CNT) characteristics, besides the processing conditions, can change significantly the microwave absorption behavior of CNT/polymer composites. In this study, we investigated the influence of three commercial multi-walled CNT materials with various diameters and length-to-diameter aspect ratios on the X-band microwave absorption of epoxy nanocomposites with CNT contents from 0.125 to 2 wt%, prepared by two dispersion methods, i.e. in solution with surfactant-aiding and via ball-milling. The laser diffraction particle size and TEM analysis showed that both methods produced good dispersions at the microscopic level of CNTs. Both a high aspect ratio resulting in nanotube alignment trend and good infiltration of the matrix in the individual nanotubes, which was indicated by high Brookfield viscosities at low CNT contents of CNT/epoxy dispersions, are important factors to achieve composites with high microwave absorption characteristics. The multi-walled carbon nanotube (MWCNT) with the largest aspect ratio resulted in composites with the best X-band microwave absorption performance, which is considerably better than that of reported pristine CNT/polymer composites with similar or lower thicknesses and CNT loadings below 4 wt%. A high aspect ratio of CNTs resulting in microscopic alignment trend of nanotubes as well as a good level of micro-scale CNT dispersion resulting from good CNT-matrix interactions are crucial to obtain effective microwave absorption performance. This study demonstrated that effective radar absorbing MWCNT/epoxy nanocomposites having small matching thicknesses of 2-3 mm and very low filler contents of 0.25-0.5 wt%, with microwave energy absorption in the X-band region above 90% and maximum absorption peak values above 97%, could be obtained via simple processing methods, which is promising for mass production in industrial applications. Graphical AbstractComparison of the X-band microwave reflection loss of epoxy composites of

  15. Dual-band microwave absorption properties of metamaterial absorber composed of split ring resonator on carbonyl iron powder composites

    Science.gov (United States)

    Lim, Jun-Hee; Ryu, Yo-Han; Kim, Sung-Soo

    2015-05-01

    This study investigated the dual-band absorption properties of metamaterial absorbers composed of a split ring resonator (SRR) on a grounded magnetic substrate. Polymer composites of carbonyl iron powders (CIP) of high permeability and magnetic loss were used as the substrate material. Computational tools were used to model the interaction between electromagnetic waves and materials with the SRR structure. For perpendicular polarization with an electric field (E) perpendicular to the SRR gap, dualband absorption peaks are predicted in the simulation result of reflection loss. Magnetic resonance resulting from antiparallel currents between the SRR and the ground plane is observed at the frequencies of two absorption peaks. The first strong absorption peak at the lower frequency (3.3 GHz) is due to magnetic resonance at the wire part of the SRR. The second absorption peak at the higher frequency (7.2 GHz) is due to magnetic resonance at the SRR split gap. The decreased capacitance with increased gap spacing moves the second absorption frequency to higher frequencies, while the first absorption peak is invariant with gap spacing. In the case of dual gaps at the opposite sides of the SRR, a single absorption peak is predicted due to the elimination of low-frequency resonance. For parallel polarization with the E-field parallel to the SRR gap, a single absorption peak is predicted, corresponding to magnetic resonance at the SRR wire.[Figure not available: see fulltext.

  16. Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

    Science.gov (United States)

    Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

    2014-01-01

    The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and Mössbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, römerite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3·5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750–4000 cm−1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. Mössbauer spectra of selected samples were obtained at room temperature and 80 K for ferric minerals jarosite and rhomboclase and mixed ferric–ferrous minerals römerite, voltaite, and copiapite. Values of Fe2+/[Fe2+ + Fe3+] determined by Mössbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases.

  17. Gas-phase chloroiodomethane short-time photodissociation dynamics in the A-band absorption and a comparison with the solution phase short-time photodissociation dynamics

    Science.gov (United States)

    Kwok, Wai Ming; Phillips, David Lee

    A gas-phase resonance Raman spectrum of chloroiodomethane has been obtained with excitation in the A-band absorption with similar resolution and the same experimental apparatus used to obtain solution-phase A-band resonance Raman spectra of chloroiodomethane reported previously. This allows a careful and detailed comparison of the gasand solution-phase chloroiodomethane A-band resonance Raman spectra and their associated short-time photodissociation dynamics. The gas-phase A-band resonance Raman spectrum has four Franck-Condon active vibrational modes and a noticeable degree of multidimensionality in its photodissociation reaction. The A-band gas-phase resonance Raman intensities and absorption spectrum were simulated using a simple model and time-dependent wave-packet calculations. The motion of the wave packet on the excited state gas-phase potential surface was converted from dimensionless normal coordinates into easy-to-visualize internal coordinates using the results of normal coordinate calculations. The A-band early-time photodissociation dynamics are very similar to those of the solution phase in that the C-I bond lengthens, the I-C-Cl and H-C-I angles become smaller, and the H-C-Cl angles become larger. These short-time photodissociation dynamics are consistent with a simple impulsive 'semirigid' radical model description of the photodissociation. A comparison of the gas-phase and solution-phase short-time photodissociation dynamics suggests that solvation effects are not important for internal coordinate motions such as the C-I stretch and I-C-Cl angle where there are strong intramolecular forces but that solvation effects are noticeable for internal coordinate motions such as H-C-H angle and H-C-Cl angles which are weakly involved in the dissociation coordinate and have relatively weak intramolecular forces that are more easily perturbed by the solvent-solute forces. This implies that 'static' or mean-field solvation effects may be more significant for

  18. Influence of zinc concentration on band gap and sub-band gap absorption on ZnO nanocrystalline thin films sol-gel grown

    Directory of Open Access Journals (Sweden)

    Munirah

    2017-02-01

    Full Text Available ZnO thin films were fabricated on quartz substrates at different zinc acetate molar concentrations using sol-gel spin coating method. The samples were characterized using X-ray diffraction, field emission scanning electron microscope, UV-Vis spectroscopy, FT-IR spectroscopy and photoluminescence spectroscopy. Sub-band gap absorption of ZnO thin films in the forbidden energy region was carried out using highly sensitive photothermal deflection spectroscopy (PDS. The absorption coefficients of ZnO thin films increased in the range of 1.5 eV to 3.0 eV, upon increasing zinc concentration. The optical band gaps were evaluated using Tauc’s plots and found to be in the range of 3.31 eV to 3.18 eV. They showed the red shift in the band edge on increase in zinc concentration. The PL spectra of ZnO thin films revealed the characteristic band edge emission centered at the 396 nm along with green emission centered at the 521 nm.

  19. Infrared Absorption Band Assignment in Benzanilide and Some of its p

    African Journals Online (AJOL)

    MBI

    2014-07-10

    Jul 10, 2014 ... stilbene and nitro and carboxylate groups (Green et al., 1961). As shown in Table 4, the frequencies of these vibrations are relatively unshifted in going from one molecule to the other. This would indicate that the phenyl ring vibrations are virtually unaffected by the peptide linkage in these benzanilides.

  20. Study of molecular iodine, iodate ions, iodide ions, and triiodide ions solutions absorption in the UV and visible light spectral bands

    Science.gov (United States)

    Kireev, S. V.; Shnyrev, S. L.

    2015-07-01

    The paper reports on experimental studies concerning the absorption spectra of molecular iodine and its \\text{IO}3- , I-, \\text{I}3- anions in the spectral band of 180-600 nm. Values of the absorption cross-sections of the above mentioned substances have been measured, and relations of absorption coefficients to concentrations have been studied. The results obtained demonstrate that the spectral band under consideration is likely to be successfully used for simultaneous real-time detection of substances containing iodine with an absorption method using laser emission sources in the UV and visible light spectral bands.

  1. Band structure and optical absorption in multilayer armchair graphene nanoribbons: A Pariser-Parr-Pople model study

    Science.gov (United States)

    Gundra, Kondayya; Shukla, Alok

    2011-08-01

    Using the tight-binding and Pariser-Parr-Pople model Hamiltonians, we study the electronic structure and optical response of multilayer armchair graphene nanoribbons (AGNRs), both with and without a gate bias. In particular, the influence of the number of layers (n), and the strength of the electric field applied perpendicularly to layers, for different types of edge alignments is explored via their electro-optical properties. As a function of increasing n, the energy gap initially decreases, eventually saturating for large n. The intensity of the linear optical absorption in these systems also increases with increasing n and depends crucially on the polarization direction of the incident light and the type of the edge alignment. This provides an efficient way of determining the nature of the edge alignment, and n, in the experiments. In the presence of a gate bias, the intensity of optical absorption behaves in a nontrivial way. The absorption becomes more intense for the large fields in narrow ribbons exhibiting a redshift of the band gap with the increasing field strength, while in broad ribbons exhibiting a blueshift, the absorption becomes weaker. However, for smaller electric fields, the absorption intensity exhibits more complicated behavior with respect to the field strength. Thus, the effect of the gate bias on optical absorption intensity in multilayer AGNRs is in sharp contrast to bilayer graphene, which exhibits only enhancement of the absorption intensity with the increasing electric field.

  2. Realization of bifunction: dual-band absorption and broad band polarization conversion by zigzag birefringent reflective metamaterial

    Science.gov (United States)

    Chen, Jiao; Yang, Helin; Zhang, Guoping; Yu, Zetai; Huang, Xiaojun; Hu, Sen

    2017-05-01

    In this paper, we propose and fabricate a kind of zigzag birefringent reflective metamaterial, the surface of which is a 1D rough surface. It can realize both multiple absorption and broadband polarization conversion at different frequency ranges of microwave. This metamaterial is made of a ring-shaped metal piece that is deposited on one side of a piece of grounded zigzag dielectric substrate. The absorptivities are 99.4% and 97.3% at 3.32 and 6.87 GHz respectively, and the polarization conversion ratio is more than 90% from 8.43 to 11.55 GHz, when the incident wave illuminates the sample with different polarization angles. A bifunctional device based on this metamaterial can act as either an absorber or a polarizer. This work is of significance to study the electromagnetic properties of rough surface metamaterials and provides an encouraging example in metamaterial design for combining different functions into one device.

  3. Estimating Snow Water Equivalent with Backscattering at X and Ku Band Based on Absorption Loss

    Directory of Open Access Journals (Sweden)

    Yurong Cui

    2016-06-01

    Full Text Available Snow water equivalent (SWE is a key parameter in the Earth’s energy budget and water cycle. It has been demonstrated that SWE can be retrieved using active microwave remote sensing from space. This necessitates the development of forward models that are capable of simulating the interactions of microwaves and the snow medium. Several proposed models have described snow as a collection of sphere- or ellipsoid-shaped ice particles embedded in air, while the microstructure of snow is, in reality, more complex. Natural snow usually forms a sintered structure following mechanical and thermal metamorphism processes. In this research, the bi-continuous vector radiative transfer (bi-continuous-VRT model, which firstly constructs snow microstructure more similar to real snow and then simulates the snow backscattering signal, is used as the forward model for SWE estimation. Based on this forward model, a parameterization scheme of snow volume backscattering is proposed. A relationship between snow optical thickness and single scattering albedo at X and Ku bands is established by analyzing the database generated from the bi-continuous-VRT model. A cost function with constraints is used to solve effective albedo and optical thickness, while the absorption part of optical thickness is obtained from these two parameters. SWE is estimated after a correction for physical temperature. The estimated SWE is correlated with the measured SWE with an acceptable accuracy. Validation against two-year measurements, using the SnowScat instrument from the Nordic Snow Radar Experiment (NoSREx, shows that the estimated SWE using the presented algorithm has a root mean square error (RMSE of 16.59 mm for the winter of 2009–2010 and 19.70 mm for the winter of 2010–2011.

  4. X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

    Energy Technology Data Exchange (ETDEWEB)

    Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B. [Case Western Reserve Univ., Cleveland, OH (United States)] [and others

    1997-04-01

    X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

  5. A novel method for the optimal band selection for vibration signal demodulation and comparison with the Kurtogram

    Science.gov (United States)

    Barszcz, Tomasz; JabŁoński, Adam

    2011-01-01

    The narrowband amplitude demodulation of a vibration signal enables the extraction of components carrying information about rotating machine faults. However, the quality of the demodulated signal depends on the frequency band selected for the demodulation. The spectral kurtosis (SK) was proved to be a very efficient method for detection of such faults, including defective rolling element bearings and gears [1]. Although there are conditions, under which SK yields valid results, there are also cases, when it fails, e.g. in the presence of a relatively strong, non-Gaussian noise containing high peaks or for a relatively high repetition rate of fault impulses. In this paper, a novel method for selection of the optimal frequency band, which attempts to overcome the aforementioned drawbacks, is presented. Subsequently, a new tool for presentation of results of the method, called the Protrugram, is proposed. The method is based on the kurtosis of the envelope spectrum amplitudes of the demodulated signal, rather than on the kurtosis of the filtered time signal. The advantage of the method is the ability to detect transients with smaller signal-to-noise ratio comparing to the SK-based Fast Kurtogram. The application of the proposed method is validated on simulated and real data, including a test rig, a simulated signal, and a jet engine vibration signal.

  6. The determination of kinetic parameters of LiF : Mg,Ti from thermal decaying curves of optical absorption bands

    CERN Document Server

    Yazici, A N

    2003-01-01

    In this paper, the thermal bleaching curves (TBCs) of specific optical absorption bands of LiF : Mg,Ti were measured as a function of temperature. The TBCs obtained were analysed to extract the kinetic parameters (the thermal activation energy (E) and the frequency factor (s)) of some TL glow peaks of LiF : Mg,Ti on the basis of the developed first-order kinetic model over a specified temperature region.

  7. High Precision Measurements of Line Mixing and Collisional Induced Absorption in the O_{2} A-Band

    Science.gov (United States)

    Adkins, Erin M.; Ghysels, Mélanie; Long, David A.; Hodges, Joseph T.

    2017-06-01

    Molecular oxygen (O_{2}) has a well-known and uniform molar fraction within the Earth's atmosphere. Consequently, the O_{2} A-band is commonly used in satellite and remote sensing measurements (GOSAT, OCO-2, TCCON) to determine the surface pressure-pathlength product for transmittance measurements that involve light propagation through the atmospheric column. For these missions, physics-based spectroscopic models and experimentally determined line-by-line parameters are used to predict the temperature- and pressure-dependence of the absorption cross-section as a function of wave number, pressure, temperature and water vapor concentration. At present, there remain airmass-dependent biases in retrievals of CO_{2} which are linked to limitations in existing models of line mixing (LM) and collisional induced absorption (CIA). In order to better quantify these effects, we measured O_{2} A-band spectra with a frequency-stabilized cavity ring-down spectroscopy (FS-CRDS) system. Because of the high molar fraction of O_{2} in air samples, line cores and near wings of the dominant absorption transitions are heavily saturated, which makes it impossible to obtain continuous FS-CRDS spectra over the entire range of optical depth. Here, we focused on LM and CIA effects which dominate the valleys between strongly absorbing transitions. To this end, the FS-CRDS system employs a thresholding mechanism that avoids the optically thick regions and scans over the entire O_{2} A-band and beyond the band head region. This approach provides high signal-to-noise ratio spectra that can be fit to yield LM and CIA parameters. These results are intended to provide strong constraints on multispectrum fits of continuous and broadband Fourier-transform-spectroscopy based O_{2} A-band spectra. Long D.A and J.T. Hodges, J. Geophys. Res. 2012, 117: p. D12309.

  8. High-resolution spectroscopy and global analysis of CF4 rovibrational bands to model its atmospheric absorption

    Science.gov (United States)

    Carlos, M.; Gruson, O.; Richard, C.; Boudon, V.; Rotger, M.; Thomas, X.; Maul, C.; Sydow, C.; Domanskaya, A.; Georges, R.; Soulard, P.; Pirali, O.; Goubet, M.; Asselin, P.; Huet, T. R.

    2017-11-01

    CF4, or tetrafluoromethane, is a chemically inert and strongly absorbing greenhouse gas, mainly of anthropogenic origin. In order to monitor and reduce its atmospheric emissions and concentration, it is thus necessary to obtain an accurate model of its infrared absorption. Such models allow opacity calculations for radiative transfer atmospheric models. In the present work, we perform a global analysis (divided into two distinct fitting schemes) of 17 rovibrational bands of CF4. This gives a reliable model of many of its lower rovibrational levels and allows the calculation of the infrared absorption in the strongly absorbing ν3 region (1283 cm-1 / 7.8 μm), including the main hot band, namely ν3 +ν2 -ν2 as well as ν3 +ν1 -ν1 ; we could also extrapolate the ν3 +ν4 -ν4 absorption. This represents almost 92% of the absorption at room temperature in this spectral region. A new accurate value of the C-F bond length is evaluated to re = 1.314860(21) Å. The present results have been used to update the HITRAN, GEISA and TFMeCaSDa (VAMDC) databases.

  9. Experimental and numerical characterization of a mid-infrared plasmonic perfect absorber for dual-band enhanced vibrational spectroscopy

    Science.gov (United States)

    Aslan, Erdem; Aslan, Ekin; Turkmen, Mustafa; Saracoglu, Omer Galip

    2017-11-01

    Plasmonic perfect absorbers (PPAs) have promising properties to be utilized in molecular sensing and spectroscopy applications such as surface enhanced infrared absorption (SEIRA) and surface enhanced Raman spectroscopy (SERS). In order to employ these properties and demonstrate the great potential of PPAs, investigation and demonstration of PPA designs and their sensing applications are highly needed. In this context, we present the design, optical characterization, experimental realization and dual-band sensing application of a subwavelength PPA array for infrared detection and surface enhanced spectroscopy applications. We analyze the PPA to investigate the absorption spectra and the fine-tuning mechanism through the parameter sweep simulations and experiments. In order to understand the absorption mechanism, we investigate the charge and current density distribution maps with electric and magnetic field enhancement effects. Additionally, we demonstrate the potential usage and reliability of the proposed PPA by presenting the experimental results of the dual-band detection of a conformal polymethyl methacrylate layer with nanometer-scale thickness atop the PPA. According to the experimental and simulation results of this study, the proposed PPA can be utilized in multiband molecular detection and high sensitive spectroscopy applications.

  10. Vibrational effects in x-ray absorption and resonant inelastic x-ray scattering using a semiclassical scheme

    Science.gov (United States)

    Ljungberg, Mathias P.

    2017-12-01

    A method is presented for describing vibrational effects in x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) using a combination of the classical Franck-Condon (FC) approximation and classical trajectories run on the core-excited state. The formulation of RIXS is an extension of the semiclassical Kramers-Heisenberg formalism of Ljungberg et al. [Phys. Rev. B 82, 245115 (2010), 10.1103/PhysRevB.82.245115] to the resonant case, retaining approximately the same computational cost. To overcome difficulties with connecting the absorption and emission processes in RIXS, the classical FC approximation is used for the absorption, which is seen to work well provided that a zero-point-energy correction is included. In the case of core-excited states with dissociative character, the method is capable of closely reproducing the main features for one-dimensional test systems, compared to the quantum-mechanical formulation. Due to the good accuracy combined with the relatively low computational cost, the method has great potential of being used for complex systems with many degrees of freedom, such as liquids and surface adsorbates.

  11. Time evolution of vibrational temperatures in a CO2 glow discharge measured with infrared absorption spectroscopy

    Science.gov (United States)

    Klarenaar, B. L. M.; Engeln, R.; van den Bekerom, D. C. M.; van de Sanden, M. C. M.; Morillo-Candas, A. S.; Guaitella, O.

    2017-11-01

    Vibrational temperatures of CO2 are studied in a pulsed glow discharge by means of time-resolved in situ Fourier transform infrared spectroscopy, with a 10 μs temporal resolution. A method to analyze the infrared transmittance through vibrationally excited CO2 is presented and validated on a previously published CO2 spectrum, showing good agreement between fit and data. The discharge under study is pulsed with a typical duty cycle of 5–10 ms on–off, at 50 mA and 6.7 mbar. A rapid increase of the temperature of the asymmetric stretch vibration (T 3) is observed at the start of the pulse, reaching 1050 K, which is an elevation of 550 K above the rotational temperature ({T}{{rot}}) of 500 K. After the plasma pulse, the characteristic relaxation time of T 3 to {T}{{rot}} strongly depends on the rotational temperature. By adjusting the duty cycle, the rotational temperature directly after the discharge is varied from 530 to 860 K, resulting in relaxation times between 0.4 and 0.1 ms. Equivalently, as the gas heats up during the plasma pulse, the elevation of T 3 above {T}{{rot}} decreases strongly.

  12. Wide operation frequency band magnetostrictive vibration power generator using nonlinear spring constant by permanent magnet

    Science.gov (United States)

    Furumachi, S.; Ueno, T.

    2016-04-01

    We study magnetostrictive vibration based power generator using iron-gallium alloy (Galfenol). The generator is advantages over conventional, such as piezoelectric material in the point of high efficiency highly robust and low electrical impedance. Generally, the generator exhibits maximum power when its resonant frequency matches the frequency of ambient vibration. In other words, the mismatch of these frequencies results in significant decrease of the output. One solution is making the spring characteristics nonlinear using magnetic force, which distorts the resonant peak toward higher or lower frequency side. In this paper, vibrational generator consisting of Galfenol plate of 6 by 0.5 by 13 mm wound with coil and U shape-frame accompanied with plates and pair of permanent magnets was investigated. The experimental results show that lean of resonant peak appears attributed on the non-linear spring characteristics, and half bandwidth with magnets is 1.2 times larger than that without. It was also demonstrated that the addition of proof mass is effective to increase the sensitivity but also the bandwidth. The generator with generating power of sub mW order is useful for power source of wireless heath monitoring for bridge and factory machine.

  13. NEW ACCURATE MEASUREMENT OF {sup 36}ArH{sup +} AND {sup 38}ArH{sup +} RO-VIBRATIONAL TRANSITIONS BY HIGH RESOLUTION IR ABSORPTION SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Cueto, M.; Herrero, V. J.; Tanarro, I.; Doménech, J. L. [Molecular Physics Department, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 123, E-28006 Madrid (Spain); Cernicharo, J. [Department of Astrophysics, CAB. INTA-CSIC. Crta Torrejón-Ajalvir Km 4, E-28850 Torrejón de Ardoz, Madrid (Spain); Barlow, M. J.; Swinyard, B. M., E-mail: jl.domenech@csic.es [Department of Physics and Astronomy, University College London. Gower Street, London WC1E 6BT (United Kingdom)

    2014-03-01

    The protonated argon ion, {sup 36}ArH{sup +}, was recently identified in the Crab Nebula from Herschel spectra. Given the atmospheric opacity at the frequency of its J = 1-0 and J = 2-1 rotational transitions (617.5 and 1234.6 GHz, respectively), and the current lack of appropriate space observatories after the recent end of the Herschel mission, future studies on this molecule will rely on mid-infrared observations. We report on accurate wavenumber measurements of {sup 36}ArH{sup +} and {sup 38}ArH{sup +} rotation-vibration transitions in the v = 1-0 band in the range 4.1-3.7 μm (2450-2715 cm{sup –1}). The wavenumbers of the R(0) transitions of the v = 1-0 band are 2612.50135 ± 0.00033 and 2610.70177 ± 0.00042 cm{sup –1} (±3σ) for {sup 36}ArH{sup +} and {sup 38}ArH{sup +}, respectively. The calculated opacity for a gas thermalized at a temperature of 100 K and with a linewidth of 1 km s{sup –1} of the R(0) line is 1.6 × 10{sup –15} × N({sup 36}ArH{sup +}). For column densities of {sup 36}ArH{sup +} larger than 1 × 10{sup 13} cm{sup –2}, significant absorption by the R(0) line can be expected against bright mid-IR sources.

  14. Spectral investigations of 2,5-difluoroaniline by using mass, electronic absorption, NMR, and vibrational spectra

    Science.gov (United States)

    Kose, Etem; Karabacak, Mehmet; Bardak, Fehmi; Atac, Ahmet

    2016-11-01

    One of the most significant aromatic amines is aniline, a primary aromatic amine replacing one hydrogen atom of a benzene molecule with an amino group (NH2). This study reports experimental and theoretical investigation of 2,5-difluoroaniline molecule (2,5-DFA) by using mass, ultraviolet-visible (UV-vis), 1H and 13C nuclear magnetic resonance (NMR), Fourier transform infrared and Raman (FT-IR and FT-Raman) spectra, and supported with theoretical calculations. Mass spectrum (MS) of 2,5-DFA is presented with their stabilities. The UV-vis spectra of the molecule are recorded in the range of 190-400 nm in water and ethanol solvents. The 1H and 13C NMR chemical shifts are recorded in CDCl3 solution. The vibrational spectra are recorded in the region 4000-400 cm-1 (FT-IR) and 4000-10 cm-1 (FT-Raman), respectively. Theoretical studies are underpinned the experimental results as described below; 2,5-DFA molecule is optimized by using B3LYP/6-311++G(d,p) basis set. The mass spectrum is evaluated and possible fragmentations are proposed based on the stable structure. The electronic properties, such as excitation energies, oscillator strengths, wavelengths, frontier molecular orbitals (FMO), HOMO and LUMO energies, are determined by time-dependent density functional theory (TD-DFT). The electrostatic potential surface (ESPs), density of state (DOS) diagrams are also prepared and evaluated. In addition to these, reduced density gradient (RDG) analysis is performed, and thermodynamic features are carried out theoretically. The NMR spectra (1H and 13C) are calculated by using the gauge-invariant atomic orbital (GIAO) method. The vibrational spectra of 2,5-DFA molecule are obtained by using DFT/B3LYP method with 6-311++G(d,p) basis set. Fundamental vibrations are assigned based on the potential energy distribution (PED) of the vibrational modes. The nonlinear optical properties (NLO) are also investigated. The theoretical and experimental results give a detailed description of

  15. Red shift of the SF6 vibration spectrum induced by the electron absorption: An ab initio study

    Directory of Open Access Journals (Sweden)

    Bin Tang

    2018-01-01

    Full Text Available As a widely used gas insulator, sulfur hexafluoride (SF6 has a large cross section for electron absorption, which may make the molecule ionized to the -1 charge state in the high-voltage environment. Using ab initio calculations, we show that the absorbed electron is located averagely on the six F atoms, occupying the antibonding level of the s-p σ bonds and increasing the S-F bond length. The ionized SF6- molecule decreases its decomposition energy to only 1.5 eV, much lower than that of the neutral molecule (4.8 eV, which can be understood according to the occupying of the antibonding orbital and thus weakening of the s-p σ bonds. The weakening of the bonds results in an obvious red shift in the vibrational modes of the ionized SF6- molecule by 120-270 cm-1, compared to those of the neutral molecule. The detailed origin of these vibrational modes is analyzed. Since the appearance of the ionized SF6- molecules is before the decomposition reaction of the SF6- molecule into low-fluoride sulfides, this method may improve the sensitivity of the defection of the partial discharge and save more time for the prevention of the insulation failure in advance.

  16. Single-band high absorption and coupling between localized surface plasmons modes in a metamaterials absorber

    Science.gov (United States)

    Zhong, Min; Liu, Shui Jie; Xu, Bang Li; Wang, Jie; Huang, Hua Qing

    2017-10-01

    In this paper, we design and simulate a metamaterials absorbers based on the resonance of the local surface plasmon (LSP) mode. The damping constant of gold layer is optimized in simulations to eliminate the effect of the inappropriate material parameters on the electromagnetic properties of the proposed metamaterial absorber. The horizontal distance between two metal particles is optimized in simulations and a perfect absorption resonance peak is achieved due to the strong coupling of LSP modes. A new absorption peak is obtained when the horizontal distance is 0 nm. The vertical distance between the new metal particles and the bottom metal layer is reduced, which leads to the absorption peak reduce based on the reduction of the intensity of LSP modes. A new absorption peak is obtained when the new metallic particle and the bottom gold layer form a whole structure.

  17. Ground-based Photon Path Measurements from Solar Absorption Spectra of the O2 A-band

    Science.gov (United States)

    Yang, Z.; Wennberg, P. O.; Cageao, R. P.; Pongetti, T. J.; Toon, G. C.; Sander, S. P.

    2005-01-01

    High-resolution solar absorption spectra obtained from Table Mountain Facility (TMF, 34.38degN, 117.68degW, 2286 m elevation) have been analyzed in the region of the O2 A-band. The photon paths of direct sunlight in clear sky cases are retrieved from the O2 absorption lines and compared with ray-tracing calculations based on the solar zenith angle and surface pressure. At a given zenith angle, the ratios of retrieved to geometrically derived photon paths are highly precise (approx.0.2%), but they vary as the zenith angle changes. This is because current models of the spectral lineshape in this band do not properly account for the significant absorption that exists far from the centers of saturated lines. For example, use of a Voigt function with Lorentzian far wings results in an error in the retrieved photon path of as much as 5%, highly correlated with solar zenith angle. Adopting a super-Lorentz function reduces, but does not completely eliminate this problem. New lab measurements of the lineshape are required to make further progress.

  18. Semi-Empirical Validation of the Cross-Band Relative Absorption Technique for the Measurement of Molecular Mixing Ratios

    Science.gov (United States)

    Pliutau, Denis; Prasad, Narasimha S

    2013-01-01

    Studies were performed to carry out semi-empirical validation of a new measurement approach we propose for molecular mixing ratios determination. The approach is based on relative measurements in bands of O2 and other molecules and as such may be best described as cross band relative absorption (CoBRA). . The current validation studies rely upon well verified and established theoretical and experimental databases, satellite data assimilations and modeling codes such as HITRAN, line-by-line radiative transfer model (LBLRTM), and the modern-era retrospective analysis for research and applications (MERRA). The approach holds promise for atmospheric mixing ratio measurements of CO2 and a variety of other molecules currently under investigation for several future satellite lidar missions. One of the advantages of the method is a significant reduction of the temperature sensitivity uncertainties which is illustrated with application to the ASCENDS mission for the measurement of CO2 mixing ratios (XCO2). Additional advantages of the method include the possibility to closely match cross-band weighting function combinations which is harder to achieve using conventional differential absorption techniques and the potential for additional corrections for water vapor and other interferences without using the data from numerical weather prediction (NWP) models.

  19. Twenty-Eight Orders of Parametric Resonance in a Microelectromechanical Device for Multi-band Vibration Energy Harvesting

    Science.gov (United States)

    Jia, Yu; Du, Sijun; Seshia, Ashwin A.

    2016-01-01

    This paper contends to be the first to report the experimental observation of up to 28 orders of parametric resonance, which has thus far only been envisioned in the theoretical realm. While theory has long predicted the onset of n orders of parametric resonance, previously reported experimental observations have been limited up to about the first 5 orders. This is due to the rapid narrowing nature of the frequency bandwidth of the higher instability intervals, making practical accessibility increasingly more difficult. Here, the authors have experimentally confirmed up to 28 orders of parametric resonance in a micromachined membrane resonator when electrically undamped. While the implication of this finding spans across the vibration dynamics and transducer application spectrum, the particular significance of this work is to broaden the accumulative operational frequency bandwidth of vibration energy harvesting for enabling self-powered microsystems. Up to 5 orders were recorded when driven at 1.0 g of acceleration across a matched load of 70 kΩ. With a natural frequency of 980 Hz, the fundamental mode direct resonance had a −3 dB bandwidth of 55 Hz, in contrast to the 314 Hz for the first order parametric resonance; furthermore, the half power bands of all 5 orders accumulated to 478 Hz. PMID:27445205

  20. Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: the Role of Vibrational Effects

    Science.gov (United States)

    Hodecker, Manuel; Biczysko, Malgorzata; Dreuw, Andreas; Barone, Vincenzo

    2017-01-01

    Vibrationally resolved one-photon absorption and electronic circular dichroism spectra of (R)-methyl oxirane were calculated with different electronic and vibronic models selecting, through an analysis of the convergence of the results, the best compromise between reliability and computational cost. Linear-response TD-DFT/CAM-B3LYP/SNST electronic computations in conjunction with the simple vertical gradient vibronic model were chosen and employed for systematic comparison with the available experimental data. Remarkable agreement between simulated and experimental spectra was achieved for both one photon absorption and circular dichroism concerning peak positions, relative intensities, and general spectral shapes considering the computational efficiency of the chosen theoretical approach. The significant improvement of the results with respect to smearing of vertical electronic transitions by phenomenological Gaussian functions and the possible inclusion of solvent effects by polarizable continuum models at a negligible additional cost paves the route toward the simulation and analysis of spectral shapes of complex molecular systems in their natural environment. PMID:27159495

  1. Stellar Multi-Photon Absorption Materials: Beyond the Telecommunication Wavelength Band.

    Science.gov (United States)

    Schwich, Torsten; Barlow, Adam; Cifuentes, Marie P; Szeremeta, Janusz; Samoc, Marek; Humphrey, Mark G

    2017-06-22

    Very large molecular two- and three-photon absorption cross-sections are achieved by appending ligated bis(diphosphine)ruthenium units to oligo(p-phenyleneethynylene) (OPE)-based "stars" with arms up to 7 phenyleneethynylene (PE) units in length. Extremely large three- and four-photon absorption cross-sections, through the telecommunications wavelengths range and beyond, are obtained for these complexes upon optimizing OPE length and the ruthenium-coordinated peripheral ligand. Multi-photon absorption (MPA) cross-sections are optimized with stars possessing arms 2 PE units in length. Peripheral ligand variation modifies MPA merit and, in particular, 4-nitrophenylethynyl ligand incorporation enhances maximal MPA values and "switches on" four-photon absorption (4PA) in these low molecular-weight complexes. The 4-nitrophenylethynyl-ligated 2PE-armed star possesses a maximal four-photon absorption cross-section of 1.8×10-108  cm8  s3 at 1750 nm, and significant MPA activity extending beyond 2000 nm. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Characterization and Simulation of Transient Vibrations Using Band Limited Temporal Moments

    Directory of Open Access Journals (Sweden)

    David O. Smallwood

    1994-01-01

    Full Text Available A method is described to characterize shocks (transient time histories in terms of the Fourier energy spectrum and the temporal moments of the shock passed through a contiguous set of band pass filters. The product model is then used to generate of a random process as simulations that in the mean will have the same energy and moments as the characterization of the transient event.

  3. Absorption and emission line shapes in the O(2) atmospheric bands: Theoretical model and limb viewing simulations.

    Science.gov (United States)

    Abreu, V J; Bucholtz, A; Hays, P B; Ortland, D; Skinner, W R; Yee, J H

    1989-06-01

    A multiple scattering radiative transfer model has been developed to carry out a line by line calculation of the absorption and emission limb measurements that will be made by the High Resolution Doppler Imager to be flown on the Upper Atmosphere Research Satellite. The multiple scattering model uses the doubling and adding methods to solve the radiative transfer equation, modified to take into account a spherical inhomogeneous atmosphere. Representative absorption and emission line shapes in the O(2)((1)Sigma(+)(g)-(3)Sigma(-)(g)) atmospheric bands (A, B, and gamma) and their variation with altitude are presented. The effects of solar zenith angle, aerosol loading, surface albedo, and cloud height on the line shapes are also discussed.

  4. Higher‐order mode absorption measurement of X-band choke-mode cavities in a radial line structure

    Energy Technology Data Exchange (ETDEWEB)

    Zha, Hao [Department of Engineering Physics, Tsinghua University, Beijing CN-100086 (China); Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing (China); The European Organization for Nuclear Research, Geneva CH-1211 (Switzerland); Shi, Jiaru, E-mail: shij@mail.tsinghua.edu.cn [Department of Engineering Physics, Tsinghua University, Beijing CN-100086 (China); Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing (China); The European Organization for Nuclear Research, Geneva CH-1211 (Switzerland); Wu, Xiaowei; Chen, Huaibi [Department of Engineering Physics, Tsinghua University, Beijing CN-100086 (China); Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing (China)

    2016-04-01

    An experiment is presented to study the higher-order mode (HOM) suppression of X-band choke-mode structures with a vector network analyzer (VNA). Specific radial line disks were built to test the reflection from the corresponding damping load and different choke geometries. The mismatch between the radial lines and the VNA was calibrated through a special multi-short-load calibration method. The measured reflections of different choke geometries showed good agreement with the theoretical calculations and verified the HOM absorption feature of each geometric design.

  5. Application of system concept in vibration and noise reduction

    Directory of Open Access Journals (Sweden)

    SHENG Meiping

    2017-08-01

    Full Text Available Although certain vibration and noise control technologies are maturing, such as vibration absorption, vibration isolation, sound absorption and sound insulation, and new methods for specific frequency bands or special environments have been proposed unceasingly, there is still no guarantee that practical effective vibration and noise reduction can be obtained. An important constraint for vibration and noise reduction is the lack of a system concept, and the integrity and relevance of such practical systems as ship structure have not obtained enough attention. We have tried to use the system engineering theory in guiding vibration and noise reduction, and have already achieved certain effects. Based on the system concept, the noise control of a petroleum pipeline production workshop has been completed satisfactorily, and the abnormal noise source identification of an airplane has been accomplished successfully. We want to share our experience and suggestions to promote the popularization of the system engineering theory in vibration and noise control.

  6. Spectroscopic determination of leaf biochemistry using band-depth analysis of absorption features and stepwise multiple linear regression

    Science.gov (United States)

    Kokaly, R.F.; Clark, R.N.

    1999-01-01

    We develop a new method for estimating the biochemistry of plant material using spectroscopy. Normalized band depths calculated from the continuum-removed reflectance spectra of dried and ground leaves were used to estimate their concentrations of nitrogen, lignin, and cellulose. Stepwise multiple linear regression was used to select wavelengths in the broad absorption features centered at 1.73 ??m, 2.10 ??m, and 2.30 ??m that were highly correlated with the chemistry of samples from eastern U.S. forests. Band depths of absorption features at these wavelengths were found to also be highly correlated with the chemistry of four other sites. A subset of data from the eastern U.S. forest sites was used to derive linear equations that were applied to the remaining data to successfully estimate their nitrogen, lignin, and cellulose concentrations. Correlations were highest for nitrogen (R2 from 0.75 to 0.94). The consistent results indicate the possibility of establishing a single equation capable of estimating the chemical concentrations in a wide variety of species from the reflectance spectra of dried leaves. The extension of this method to remote sensing was investigated. The effects of leaf water content, sensor signal-to-noise and bandpass, atmospheric effects, and background soil exposure were examined. Leaf water was found to be the greatest challenge to extending this empirical method to the analysis of fresh whole leaves and complete vegetation canopies. The influence of leaf water on reflectance spectra must be removed to within 10%. Other effects were reduced by continuum removal and normalization of band depths. If the effects of leaf water can be compensated for, it might be possible to extend this method to remote sensing data acquired by imaging spectrometers to give estimates of nitrogen, lignin, and cellulose concentrations over large areas for use in ecosystem studies.We develop a new method for estimating the biochemistry of plant material using

  7. Quantum Interference Effects Theoretically Found in the Photodissociation Processes of the Second Absorption Bands of ICl and IBr Molecules.

    Science.gov (United States)

    Matsuoka, Takahide; Yabushita, Satoshi

    2015-09-17

    Some quantum interference effects are exposed directly in experiments, but others are not and remain just hidden and thus require thorough theoretical analysis to be exposed. In this respect, the second absorption bands of IX (X = Cl, Br) molecules show an interesting behavior in the photofragment anisotropy of the lowest I((2)P3/2)+X((2)P3/2) product channel; it changes from strongly parallel distribution on the shorter wavelength side to strongly perpendicular distribution on the longer wavelength side. Because the responsible perpendicular third Ω = 1 (1(III)) excited state correlating adiabatically to this product channel has only a weak absorption, the parallel component flux yielding the same products must be comparatively weak, even though the responsible parallel excitations to the 0(+)(III) and/or 0(+)(IV) excited states have strong absorptions. In the present theoretical study, the branching ratios and the anisotropy parameters have been obtained using the spin-orbit configuration interaction method combined with the quantum mechanical wavepacket and semiclassical approaches. Significant quantum interference effect between the two dissociative de Broglie waves on the 0(+)(III) and 0(+)(IV) potential curves has been found through the avoided crossing, and the weak parallel flux to the ground-state product channel has been explained by their destructive interference character. This interference effect has weak excitation energy dependence due to rather unique behavior of their almost parallel potential curves from the Franck-Condon to avoided crossing regions.

  8. THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, J.; Wallin Mahler Andersen, Denise

    2014-01-01

    Terahertz absorption spectra have been recorded for the weakly bound CO2–H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit...... have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems’ flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm−1 from the class of intermolecular van der Waals vibrations is proposed...

  9. Broad Band Light Absorption and High Photocurrent of (In,Ga)N Nanowire Photoanodes Resulting from a Radial Stark Effect.

    Science.gov (United States)

    Kamimura, Jumpei; Bogdanoff, Peter; Corfdir, Pierre; Brandt, Oliver; Riechert, Henning; Geelhaar, Lutz

    2016-12-21

    The photoelectrochemical properties of (In,Ga)N nanowire photoanodes are investigated using H2O2 as a hole scavenger to prevent photocorrosion. Under simulated solar illumination, In0.16Ga0.84N nanowires grown by plasma-assisted molecular beam epitaxy show a high photocurrent of 2.7 mA/cm2 at 1.2 V vs reversible hydrogen electrode. This value is almost the theoretical maximum expected from the corresponding band gap (2.8 eV) for homogeneous bulk material without taking into account surface effects. These nanowires exhibit a higher incident photon-to-current conversion efficiency over a broader wavelength range and a higher photocurrent than a compact layer with higher In content of 28%. These results are explained by the combination of built-in electric fields at the nanowire sidewall surfaces and compositional fluctuations in (In,Ga)N, which gives rise to a radial Stark effect. This effect enables spatially indirect transitions at energies much lower than the band gap. The resulting broad band light absorption leads to high photocurrents. This benefit of the radial Stark effect in (In,Ga)N nanowires for solar harvesting applications opens up the perspective to break the theoretical limit for photocurrents.

  10. Emergence of Very Broad Infrared Absorption Band By Hyperdoping of Silicon with Chalcogens

    Science.gov (United States)

    2013-06-03

    absorption of sulfur, selenium , and tellurium hyper- doped samples is shown in Figs. 2(a)–2(c), respectively. The ion-implanted dose for these samples was...implanted to a dose of 1 1016 cm2 with sulfur, selenium or tellurium, respectively. Filled symbols in (a) and (b) represent carrier concentration and...temperatures for Si implanted with (a) sulfur, (b) selenium , or (c) tellurium ions to the same dose of 1 1016 cm2, and laser melted. 1/(ad)fc is

  11. Fluorinated graphene oxide for enhanced S and X-band microwave absorption

    Energy Technology Data Exchange (ETDEWEB)

    Sudeep, P. M. [Department of Physics, Cochin University of Science and Technology, Kochi 682022, Kerala (India); TIFR-Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500075 (India); Vinayasree, S. [Department of Physics, Cochin University of Science and Technology, Kochi 682022, Kerala (India); Government Polytechnic College, Thirurangadi, Velimukku P.O., Malappuram 676317, Kerala (India); Mohanan, P. [Department of Electronics, Cochin University of Science and Technology, Kochi 682022, Kerala (India); Ajayan, P. M. [Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Narayanan, T. N. [TIFR-Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500075 (India); Anantharaman, M. R., E-mail: mraiyer@yahoo.com [Department of Physics, Cochin University of Science and Technology, Kochi 682022, Kerala (India)

    2015-06-01

    Here we report the microwave absorbing properties of three graphene derivatives, namely, graphene oxide (GO), fluorinated GO (FGO, containing 5.6 at. % Fluorine (F)), and highly FGO (HFGO, containing 23 at. % F). FGO is known to be exhibiting improved electrochemical and electronic properties when compared to GO. Fluorination modifies the dielectric properties of GO and hence thought of as a good microwave absorber. The dielectric permittivities of GO, FGO, and HFGO were estimated in the S (2 GHz to 4 GHz) and X (8 GHz to 12 GHz) bands by employing cavity perturbation technique. For this, suspensions containing GO/FGO/HFGO were made in N-Methyl Pyrrolidone (NMP) and were subjected to cavity perturbation. The reflection loss was then estimated and it was found that −37 dB (at 3.2 GHz with 6.5 mm thickness) and −31 dB (at 2.8 GHz with 6 mm thickness) in the S band and a reflection loss of −18 dB (at 8.4 GHz with 2.5 mm thickness) and −10 dB (at 11 GHz with 2 mm thickness) in the X band were achieved for 0.01 wt. % of FGO and HFGO in NMP, respectively, suggesting that these materials can serve as efficient microwave absorbers even at low concentrations.

  12. Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides.

    Science.gov (United States)

    Nemausat, Ruidy; Gervais, Christel; Brouder, Christian; Trcera, Nicolas; Bordage, Amélie; Coelho-Diogo, Cristina; Florian, Pierre; Rakhmatullin, Aydar; Errea, Ion; Paulatto, Lorenzo; Lazzeri, Michele; Cabaret, Delphine

    2017-02-22

    A combined experimental-theoretical study on the temperature dependence of the X-ray absorption near-edge structure (XANES) and nuclear magnetic resonance (NMR) spectra of periclase (MgO), spinel (MgAl2O4), corundum (α-Al2O3), berlinite (α-AlPO4), stishovite and α-quartz (SiO2) is reported. Predictive calculations are presented when experimental data are not available. For these light-element oxides, both experimental techniques detect systematic effects related to quantum thermal vibrations which are well reproduced by density-functional theory simulations. In calculations, thermal fluctuations of the nuclei are included by considering nonequilibrium configurations according to finite-temperature quantum statistics at the quasiharmonic level. The influence of nuclear quantum fluctuations on XANES and NMR spectroscopies is particularly sensitive to the coordination number of the probed cation. Furthermore, the relative importance of nuclear dynamics and thermal expansion is quantified over a large range of temperatures.

  13. Highly luminescent S, N co-doped graphene quantum dots with broad visible absorption bands for visible light photocatalysts

    Science.gov (United States)

    Qu, Dan; Zheng, Min; Du, Peng; Zhou, Yue; Zhang, Ligong; Li, Di; Tan, Huaqiao; Zhao, Zhao; Xie, Zhigang; Sun, Zaicheng

    2013-11-01

    A facile hydrothermal synthesis route to N and S, N co-doped graphene quantum dots (GQDs) was developed by using citric acid as the C source and urea or thiourea as N and S sources. Both N and S, N doped GQDs showed high quantum yield (78% and 71%), excitation independent under excitation of 340-400 nm and single exponential decay under UV excitation. A broad absorption band in the visible region appeared in S, N co-doped GQDs due to doping with sulfur, which alters the surface state of GQDs. However, S, N co-doped GQDs show different color emission under excitation of 420-520 nm due to their absorption in the visible region. The excellent photocatalytic performance of the S, N co-doped GQD/TiO2 composites was demonstrated by degradation of rhodamine B under visible light. The apparent rate of S, N:GQD/TiO2 is 3 and 10 times higher than that of N:GQD/TiO2 and P25 TiO2 under visible light irradiation, respectively.A facile hydrothermal synthesis route to N and S, N co-doped graphene quantum dots (GQDs) was developed by using citric acid as the C source and urea or thiourea as N and S sources. Both N and S, N doped GQDs showed high quantum yield (78% and 71%), excitation independent under excitation of 340-400 nm and single exponential decay under UV excitation. A broad absorption band in the visible region appeared in S, N co-doped GQDs due to doping with sulfur, which alters the surface state of GQDs. However, S, N co-doped GQDs show different color emission under excitation of 420-520 nm due to their absorption in the visible region. The excellent photocatalytic performance of the S, N co-doped GQD/TiO2 composites was demonstrated by degradation of rhodamine B under visible light. The apparent rate of S, N:GQD/TiO2 is 3 and 10 times higher than that of N:GQD/TiO2 and P25 TiO2 under visible light irradiation, respectively. Electronic supplementary information (ESI) available: More XPS and UV-Vis spectra. See DOI: 10.1039/c3nr04402e

  14. Depolarisation of light scattered by disperse systems of low-dimensional potassium polytitanate nanoparticles in the fundamental absorption band

    Energy Technology Data Exchange (ETDEWEB)

    Zimnyakov, D A; Yuvchenko, S A [Yu A Gagarin Saratov State Technical University, Saratov (Russian Federation); Pravdin, A B; Kochubey, V I [N.G. Chernyshevsky Saratov State University, Saratov (Russian Federation); Gorokhovsky, A V; Tretyachenko, E V; Kunitsky, A I

    2014-07-31

    The results of experimental studies of depolarising properties of disperse systems on the basis of potassium polytitanate nanoplatelets and nanoribbons in the visible and near-UV spectral regions are presented. It is shown that in the fundamental absorption band of the nanoparticle material the increase in the depolarisation factor takes place for the radiation scattered perpendicularly to the direction of the probing beam. For nanoribbons a pronounced peak of depolarisation is observed, which is caused by the essential anisotropy of the particles shape and the peculiarities of the behaviour of the material dielectric function. The empirical data are compared with the theoretical results for 'nanodiscs' and 'nanoneedles' with the model dielectric function, corresponding to that obtained from optical constants of the titanium dioxide dielectric function. (laser biophotonics)

  15. Phonon side bands in the absorption spectra of nickel(2+) and cobalt(2+) in cadmium iodide and lead(II) iodide.

    NARCIS (Netherlands)

    Kuindersma, S. R.; Boudewijn, Pieter Reinder; Haas, C.; Bethlehem, J.; Meetsma, A.

    1982-01-01

    The absorption and magnetic CD spectra of the 3A2g → 1Eg electronic transition of CdI2:Ni2+ and PbI2:Ni2+ and of the a4T1g → b2T1g, 2A1g transition of CdI2:Co2+ were measured. The spectra show a complicated fine structure caused by the coupling with nonlocalized vibrational modes of the host

  16. Vibrational and electronic spectroscopic studies of melatonin

    Science.gov (United States)

    Singh, Gurpreet; Abbas, J. M.; Dogra, Sukh Dev; Sachdeva, Ritika; Rai, Bimal; Tripathi, S. K.; Prakash, Satya; Sathe, Vasant; Saini, G. S. S.

    2014-01-01

    We report the infrared absorption and Raman spectra of melatonin recorded with 488 and 632.8 nm excitations in 3600-2700 and 1700-70 cm-1 regions. Further, we optimized molecular structure of the three conformers of melatonin within density functional theory calculations. Vibrational frequencies of all three conformers have also been calculated. Observed vibrational bands have been assigned to different vibrational motions of the molecules on the basis of potential energy distribution calculations and calculated vibrational frequencies. Observed band positions match well with the calculated values after scaling except Nsbnd H stretching mode frequencies. It is found that the observed and calculated frequencies mismatch of Nsbnd H stretching is due to intermolecular interactions between melatonin molecules.

  17. Enhancement of broad-band light absorption in monolayer MoS2 using Ag grating hybrid with distributed Bragg reflector

    Science.gov (United States)

    Cao, Jintao; Wang, Jin; Yang, Guofeng; Lu, Yann; Sun, Rui; Yan, Pengfei; Gao, Shumei

    2017-10-01

    A hybrid novel structure of monolayer MoS2 with Ag nanograting and DBR on Si substrate has been proposed to obtain broad-band absorption response for two-dimensional (2D) materials. It is effective to reduce light loss and reflect the incident light efficiently for monolayer MoS2 absorption with DBR dielectric layers. Moreover, by combining Ag nanograting with DBR structure, the average absorption achieves as high as 59% within broad wavelength ranging from 420 to 700 nm, which is attributed to the plasmonic resonant effect of metal nanostripes. The absorption would be affected by the duty ratio and period of the Ag nanograting, and shows incident angle dependent characteristics, while an average absorption higher than 60% has been obtained at the incident angle around 40°. These results indicate that 2D MoS2 in combination with DBR and metal nanograting have a promising potential applications for optical nano-devices.

  18. Slice imaging of the UV photodissociation of CH2BrCl from the maximum of the first absorption band

    Science.gov (United States)

    Chicharro, D. V.; Marggi Poullain, S.; González-Vázquez, J.; Bañares, L.

    2017-07-01

    The photodissociation dynamics of bromochloromethane (CH2BrCl) have been investigated at the maximum of the first absorption band, at the excitation wavelengths 203 and 210 nm, using the slice imaging technique in combination with a probe detection of bromine-atom fragments, Br(2P3/2) and Br*(2P1/2), via (2 + 1) resonance enhanced multiphoton ionization. Translational energy distributions and angular distributions reported for both Br(2P3/2) and Br*(2P1/2) fragments show two contributions for the Br(2P3/2) channel and a single contribution for the Br*(2P1/2) channel. High level ab initio calculations have been performed in order to elucidate the dissociation mechanisms taking place. The computed absorption spectrum and potential energy curves indicate the main contribution of the populated 4A″, 5A', and 6A' excited states leading to a C-Br cleavage. Consistently with the results, the single contribution for the Br*(2P1/2) channel has been attributed to direct dissociation through the 6A' state as well as an indirect dissociation of the 5A' state requiring a 5A' → 4A' reverse non-adiabatic crossing. Similarly, a faster contribution for the Br(2P3/2) channel characterized by a similar energy partitioning and anisotropy than those for the Br*(2P1/2) channel is assigned to a direct dissociation through the 5A' state, while the slower component appears to be due to the direct dissociation on the 4A″ state.

  19. Effect of thickness on microwave absorptive behavior of La-Na doped Co-Zr barium hexaferrites in 18.0–26.5 GHz band

    Energy Technology Data Exchange (ETDEWEB)

    Arora, Amit [D.A.V. Institute of Engineering and Technology, Jalandhar (India); Narang, Sukhleen Bindra, E-mail: sukhleen2@yahoo.com [Department of Electronics Technology, Guru Nanak Dev University, Amritsar (India); Pubby, Kunal [Department of Electronics Technology, Guru Nanak Dev University, Amritsar (India)

    2017-02-01

    In this research, the microwave properties of Lanthanum-Sodium doped Cobalt-Zirconium barium hexaferrites, intended as microwave absorbers, are analyzed on Vector Network Analyzer in K-band. The results indicate that the doping has resulted in lowering of real permittivity and enhancement of dielectric losses. Real permeability has shown increase while magnetic losses have shown decrease in value with doping. All these four properties have shown very small variation with frequency in the scanned frequency range which indicates the relaxation type of behavior. Microwave absorption characteristics of these compositions are analyzed with change in sample thickness. The results demonstrate that the matching frequency of the microwave absorber shifts towards lower side of frequency band with increase in thickness. The complete analysis of the prepared microwave absorbers shows a striking achievement with very low reflection loss and wide absorption bandwidth for all the six compositions in 18–26.5 GHz frequency band. - Highlights: • Electromagnetic Characterization of M-hexaferrites in K-band (18–26.5 GHz) • Variation of absorption properties with thickness of sample. • Satisfaction of quarter-wavelength condition for absorption properties • Results of double-layer absorbers (not reports till day by anyone).

  20. High resolution absorption cross sections in the transmission window region of the Schumann-Runge bands and Herzberg continuum of O2

    Science.gov (United States)

    Yoshino, K.; Esmond, J. R.; Cheung, A. S.-C.; Freeman, D. E.; Parkinson, W. H.

    1992-01-01

    Results are presented on measurements, conducted in the wavelength region 180-195 nm, and at different pressures of oxygen (between 2.5-760 torr) in order to separate the pressure-dependent absorption from the main cross sections, of the absorption cross sections of the Schumann-Runge bands in the window region between the rotational lines of S-R bands of O2. The present cross sections supersede the earlier published cross sections (Yoshino et al., 1983). The combined cross sections are presented graphically; they are available at wavenumber intervals of about 0.1/cm from the National Space Science Data Center. The Herzberg continuum cross sections are derived after subtracting calculated contributions from the Schumann-Runge bands. These are significantly smaller than any previous measurements.

  1. Acetylene weak bands at 2.5 μm from intracavity Cr:ZnSe laser absorption observed with time-resolved Fourier transform spectroscopy.

    Science.gov (United States)

    Girard, Véronique; Farrenq, Robert; Sorokin, Evgeni; Sorokina, Irina T; Guelachvili, Guy; Picqué, Nathalie

    2006-02-26

    The spectral dynamics of a mid-infrared multimode Cr(2+):ZnSe laser located in a vacuum sealed chamber containing acetylene at low pressure is analyzed by a stepping-mode high-resolution time-resolved Fourier transform interferometer. Doppler-limited absorption spectra of C(2)H(2) in natural isotopic abundance are recorded around 4000 cm(-1) with kilometric absorption path lengths and sensitivities better than 3 10(-8) cm(-1). Two cold bands are newly identified and assigned to the ν(1)+ν(4) (1) and ν(3)+ν(5) (1) transitions of (12)C(13)CH(2). The ν(1)+ν(5) (1) band of (12)C(2)HD and fourteen (12)C(2)H(2) bands are observed, among which for the first time ν(2)+2ν(4) (2)+ν(5) (-1).

  2. Acetylene weak bands at 2.5 μm from intracavity Cr2+:ZnSe laser absorption observed with time-resolved Fourier transform spectroscopy

    Science.gov (United States)

    Girard, Véronique; Farrenq, Robert; Sorokin, Evgeni; Sorokina, Irina T.; Guelachvili, Guy; Picqué, Nathalie

    2010-01-01

    The spectral dynamics of a mid-infrared multimode Cr2+:ZnSe laser located in a vacuum sealed chamber containing acetylene at low pressure is analyzed by a stepping-mode high-resolution time-resolved Fourier transform interferometer. Doppler-limited absorption spectra of C2H2 in natural isotopic abundance are recorded around 4000 cm−1 with kilometric absorption path lengths and sensitivities better than 3 10−8 cm−1. Two cold bands are newly identified and assigned to the ν1+ν41 and ν3+ν51 transitions of 12C13CH2. The ν1+ν51 band of 12C2HD and fourteen 12C2H2 bands are observed, among which for the first time ν2+2ν42+ν5−1. PMID:21151826

  3. Optimal frequency selection of multi-channel O2-band different absorption barometric radar for air pressure measurements

    Science.gov (United States)

    Lin, Bing; Min, Qilong

    2017-02-01

    Through theoretical analysis, optimal selection of frequencies for O2 differential absorption radar systems on air pressure field measurements is achieved. The required differential absorption optical depth between a radar frequency pair is 0.5. With this required value and other considerations on water vapor absorption and the contamination of radio wave transmission, frequency pairs of present considered radar system are obtained. Significant impacts on general design of differential absorption remote sensing systems are expected from current results.

  4. Analysis of the intermediate-band absorption properties of type-II GaSb/GaAs quantum-dot photovoltaics

    Science.gov (United States)

    Ramiro, I.; Villa, J.; Tablero, C.; Antolín, E.; Luque, A.; Martí, A.; Hwang, J.; Phillips, J.; Martin, A. J.; Millunchick, J.

    2017-09-01

    Quantum-dot (QD) intermediate-band (IB) materials are regarded as promising candidates for high-efficiency photovoltaics. The sequential two-step two-photon absorption processes that take place in these materials have been proposed to develop high-efficiency solar cells and infrared (IR) photodetectors. In this work, we experimentally and theoretically study the interrelation of the absorptivity with transitions of carriers to and from the IB in type-II GaSb/GaAs QD devices. Our devices exhibit three optical band gaps with: EL=0.49 eV ,EH=1.02 eV , and EG=1.52 eV , with the IB located 0.49 eV above the valence band. These values are well supported by semiempirical calculations of the QDs electronic structure. Through intensity-dependent two-photon photocurrent experiments, we are able to vary the filling state of the IB, thus modifying the absorptivity of the transitions to and from this band. By filling the IB with holes via E =1.32 eV or E =1.93 eV monochromatic illumination, we demonstrate an increase in the EL-related absorptivity of more than two orders of magnitude and a decrease in the EH-related absorptivity of one order of magnitude. The antisymmetrical evolution of those absorptivities is quantitatively explained by a photoinduced shift of the quasi-Fermi level of the IB. Furthermore, we report the observation of a two-photon photovoltage, i.e., the contribution of subband gap two-photon absorption to increase the open-circuit voltage of solar cells. We find that the generation of the two-photon photovoltage is related, in general, to the production of a two-photon photocurrent. However, while photons with energy close to EL participate in the production of the two-photon photocurrent, they are not effective in the production of a two-photon photovoltage. We also report the responsivity of GaSb/GaAs QD devices performing as optically triggered photodetectors. These devices exhibit an amplification factor of almost 400 in the IR spectral region. This high

  5. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: vibrations and structure of its excited S(1)(π,π(*)) electronic state.

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J; Kim, Sunghwan; Laane, Jaan

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π(*)) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π(*)) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π(*)) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π(*)) excited state.

  6. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S{sub 1}(π,π{sup *}) electronic state

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Hee Won; Ocola, Esther J.; Laane, Jaan, E-mail: laane@mail.chem.tamu.edu [Department of Chemistry, Texas A and M University, College Station, Texas 77843-3255 (United States); Kim, Sunghwan [National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, Maryland 20894 (United States)

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S{sub 1}(π,π{sup *}) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S{sub 0} and S{sub 1}(π,π{sup *}) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S{sub 0} and S{sub 1}(π,π{sup *}) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S{sub 1}(π,π{sup *}) excited state.

  7. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S1(π,π*) electronic state

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J.; Kim, Sunghwan; Laane, Jaan

    2014-01-01

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π*) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π*) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π*) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π*) excited state. PMID:25669377

  8. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S1(π,π*) electronic state

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J.; Kim, Sunghwan; Laane, Jaan

    2014-01-01

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π*) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π*) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π*) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π*) excited state.

  9. Imaging spectroscopy of the missing REMPI bands of methyl radicals: Final touches on all vibrational frequencies of the 3p Rydberg states.

    Science.gov (United States)

    Pan, Huilin; Liu, Kopin

    2018-01-07

    (2 + 1) resonance-enhanced multiphoton ionization (REMPI) detection of methyl radicals, in particular that via the intermediate 3p Rydberg states, has shown to be a powerful method and thus enjoyed a wide range of applications. Methyl has six vibrational modes. Among them-including partially and fully deuterated isotopologs-four out of twenty vibrational frequencies in the intermediate 3p states have so far eluded direct spectroscopic determination. Here, by exploiting the imaging spectroscopy approach to a few judiciously selected chemical reactions, the four long-sought REMPI bands-CHD2(611), CH2D(311), CH2D(511), and CH2D(611)-are discovered, which complete the REMPI identification for probing any vibrational mode of excitation of methyl radical and its isotopologs. These results, in conjunction with those previously reported yet scattered in the literature, are summarized here for ready reference, which should provide all necessary information for further spectral assignments and future studies of chemical dynamics using this versatile REMPI scheme.

  10. Above band gap absorption spectra of the arsenic antisite defect in low temperature grown GaAs and AlGaAs

    DEFF Research Database (Denmark)

    Dankowski, S. U.; Streb, D.; Ruff, M.

    1996-01-01

    Room temperature absorption spectra of low temperature molecular beam epitaxy grown GaAs (LT-GaAs) and AlGaAs (LT-AlGaAs) are reported. We performed measurements in an extended spectral range from 0.8 eV to photon energies of 2.8 eV far above the band gap. For as-grown LT-materials, the absorptio...

  11. Temperature-dependent absorption cross-sections in the thermal infrared bands of SF{sub 5}CF{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Rinsland, C.P. E-mail: c.p.rinsland@larc.nasa.gov; Sharpe, S.W.; Sams, R.L

    2003-12-15

    Absorption cross-sections have been measured at five temperatures between 213 and 323 K in the infrared bands of SF{sub 5}CF{sub 3}. The spectra were recorded at a resolution of 0.112 cm{sup -1} using a commercial Fourier transform infrared spectrometer and a 20 cm temperature-controlled sample cell. Samples of SF{sub 5}CF{sub 3} were pressurized with high-purity nitrogen to a total pressure of 1013.3 hPa (760 Torr). Six or more spectra with varying SF{sub 5}CF{sub 3} column amounts were analyzed at each temperature. The full spectral range of the measurements was 520-6500 cm{sup -1}, with only weak bands observed beyond 1400 cm{sup -1}. Absorption of thermal radiation in the 8-12 {mu}m atmospheric window region being important for climate change, we report here the integrated cross-sections of the significant absorption bands in that spectral region. Our results closely match room temperature values reported previously. Only small variation of the integrated absorption cross-sections with temperature was found. Our results confirm the accuracy of the previous measurements, which find SF{sub 5}CF{sub 3} important for global climate change on a per molecule basis. Absorption cross-sections derived from a single, near Doppler-limited spectrum recorded at room temperature do not show any rotational fine structure in the 700-950 cm{sup -1} region.

  12. Extrapolation of earth-based solar irradiance measurements to exoatmospheric levels for broad-band and selected absorption-band observations

    Science.gov (United States)

    Reagan, John A.; Pilewskie, Peter A.; Scott-Fleming, Ian C.; Herman, Benjamin M.; Ben-David, Avishai

    1987-01-01

    Techniques for extrapolating earth-based spectral band measurements of directly transmitted solar irradiance to equivalent exoatmospheric signal levels were used to aid in determining system gain settings of the Halogen Occultation Experiment (HALOE) sunsensor being developed for the NASA Upper Atmosphere Research Satellite and for the Stratospheric Aerosol and Gas (SAGE) 2 instrument on the Earth Radiation Budget Satellite. A band transmittance approach was employed for the HALOE sunsensor which has a broad-band channel determined by the spectral responsivity of a silicon detector. A modified Langley plot approach, assuming a square-root law behavior for the water vapor transmittance, was used for the SAGE-2 940 nm water vapor channel.

  13. The effects of isomerism on the vibrational spectra and thermodynamic characteristics of biuret in the gas phase

    Science.gov (United States)

    Korolevich, M. V.; Lastochkina, V. A.; Frenkel, M. L.; Kabo, G. Ya.; Zhbankov, R. G.

    1991-03-01

    A theoretical study of the IR spectra of cis- and trans-isomers of biuret, based on coupled calculations of vibrational frequencies as a valence force field approximation and of absorption band intensities by the CNDO/2 method, is reported. Calculated thermodynamic functions for biuret agreed with experimental thermochemical data. For calculating the vibrations of an isolated biuret molecule, the experimental vapour-phase IR absorption spectra were used.

  14. Gas-phase SO2 in absorption towards massive protostars

    NARCIS (Netherlands)

    Keane, JV; Boonman, AMS; Tielens, AGGM; van Dishoeck, EF; Dishoeck, E. F.; Lahuis, F. van; Wright, C. M.; Doty, S. D.

    We present the first detection of the v(3) ro-vibrational band of gas-phase SO2 in absorption in the mid-infrared spectral region around 7.3 mum of a sample of deeply embedded massive protostars. Comparison with model spectra shows that the derived excitation temperatures correlate with previous

  15. Vibrational Dependence of Line Coupling and Line Mixing in Self-Broadened Parallel Bands of NH3

    Science.gov (United States)

    Ma, Q.; Boulet, C.; Tipping, R. H.

    2017-01-01

    Line coupling and line mixing effects have been calculated for several self-broadened NH3 lines in parallel bands involving an excited v2 mode. It is well known that once the v2 mode is excited, the inversion splitting quickly increases as this quantum number increases. In the present study, we have shown that the v2 dependence of the inversion splitting plays a dominant role in the calculated line-shape parameters. For the v2 band with a 36 cm-1 splitting, the intra-doublet couplings practically disappear and for the 2v2 and 2v2 - v2 bands with much higher splitting values, they are completely absent. With respect to the inter-doublet coupling, it becomes the most efficient coupling mechanism for the v2 band, but it is also completely absent for bands with higher v2 quantum numbers. Because line mixing is caused by line coupling, the above conclusions on line coupling are also applicable for line mixing. Concerning the check of our calculated line mixing effects, while the present formalism has well explained the line mixing signatures observed in the v1 band, there are large discrepancies between the measured Rosenkranz mixing parameters and our calculated results for the v2 and 2v2 bands. In order to clarify these discrepancies, we propose to make some new measurements. In addition, we have calculated self-broadened half-widths in the v2 and 2v2 bands and made comparisons with several measurements and with the values listed in HITRAN 2012. In general, the agreements with measurements are very good. In contrast, the agreement with HITRAN 2012 is poor, indicating that the empirical formula used to predict the HITRAN 2012 data has to be updated.

  16. The different nature of band edge absorption and emission in colloidal pbse/cdse core/shell quantum dots

    NARCIS (Netherlands)

    De Geyter, B.; Justo, J.; Moreels, I.; Lambert, K.; Smet, P.F.; Van Thourhout, D.; Houtepen, A.J.; Grodzinska, D.|info:eu-repo/dai/nl/315030186; de Mello Donegá, C.|info:eu-repo/dai/nl/125593899; Meijerink, A.|info:eu-repo/dai/nl/075044986; Vanmaekelbergh, D.A.M.|info:eu-repo/dai/nl/304829137; Hens, Z.

    2011-01-01

    We present a quantitative analysis of the absorption and luminescence of colloidal PbSe/CdSe core/shell quantum dots (QDs). In absorption, both the energy and the oscillator strength of the first exciton transition coincide with that of plain PbSe QDs. In contrast, luminescence lifetime measurements

  17. Type-II GaSb/GaAs quantum-dot intermediate band with extended optical absorption range for efficient solar cells

    Science.gov (United States)

    Boustanji, Hela; Jaziri, Sihem

    2018-02-01

    GaSb/GaAs type-II quantum-dot solar cells (QD SCs) have attracted attention as highly efficient intermediate band SCs due to their infrared absorption. Type-II QDs exhibited a staggered confinement potential, where only holes are strongly confined within the dots. Long wavelength light absorption of the QDSCs is enhanced through the improved carriers number in the IB. The absorption of dots depends on their shape, material quality, and composition. Therefore, the optical properties of the GaSbGaAs QDs before and after thermal treatment are studied. Our intraband studies have shown an extended absorption into the long wavelength region 1.77 μ {m}. The annealed QDs have shown significantly more infrared response of 7.2 μ {m} compared to as-grown sample. The photon absorption and hole extraction depend strongly on the thermal annealing process. In this context, emission of holes from localized states in GaSb QDs has been studied using conductance-voltage ( G- V ) characteristics.

  18. Exciting polycyclic aromatic hydrocarbon vibrations : infrared absorption spectroscopy of astrophysically relevant jet-cooled neutral and cationic polycyclic aromatic hydrocarbons

    NARCIS (Netherlands)

    Piest, Johann Arend

    2002-01-01

    Unidentified InfraRed emission bands (uirs) have intrigued astronomers ever since their discovery in the early 1970s. Their observation in the spectra of a rich variety of celestial objects suggests simple excitation mechanisms together with an ubiquitous presence of their carriers in the

  19. The key role of intramolecular Jahn-Teller vibrations and many-valley band spectrum effects in mechanism of superconductivity of doped fullerite C sub 6 sub 0

    CERN Document Server

    Loktev, V M; Shekhter, R I; Jonson, M

    2002-01-01

    Some conceivable reasons for superconductivity and enhancement of the critical temperature Tc of the superconducting phase transition in doped cubic and hexagonal fullerene C sub 6 sub 0 crystals are analyzed. It is shown that of primary importance in the mechanism of superconductivity in such a molecular metal are the Jahn-Teller intramolecular vibrations which appear due to change of the charge state of the high symmetrical C sub 6 sub 0 molecules during the electron-phonon interaction; the effect of degeneration (many-valleyness) of narrow, bands with high density of states and many-particle Coulomb correlations (the local field effects) which result in increase of the coupling constant at the Cooper pairing of current carriers.

  20. [Study on the vibrational spectra and XRD characters of Huanglong jade from Longling County, Yunnan Province].

    Science.gov (United States)

    Pei, Jing-cheng; Fan, Lu-wei; Xie, Hao

    2014-12-01

    Based on the conventional test methods, the infrared absorption spectrum, Raman spectrum and X-ray diffraction (XRD) were employed to study the characters of the vibration spectrum and mineral composition of Huanglong jade. The testing results show that Huanglong jade shows typical vibrational spectrum characteristics of quartziferous jade. The main infrared absorption bands at 1162, 1076, 800, 779, 691, 530 and 466 cm(-1) were induced by the asymmetric stretching vibration, symmetrical stretching vibration and bending vibration of Si-O-Si separately. Especially the absorption band near 800 cm(-1) is split, which indicates that Huanglong jade has good crystallinity. In Raman spectrum, the main strong vibration bands at 463 and 355 cm(-1) were attributed to bending vibration of Si-O-Si. XRD test confirmed that Quartz is main mineral composition of Huanglong jade and there is a small amount of hematite in red color samples which induced the red color of Huanglong jade. This is the first report on the infrared, Raman and XRD spectra feature of Huanglong jade. It will provide a scientific basis for the identification, naming and other research for huanglong jade.

  1. Direct Observation of Two-Step Photon Absorption in an InAs/GaAs Single Quantum Dot for the Operation of Intermediate-Band Solar Cells.

    Science.gov (United States)

    Nozawa, Tomohiro; Takagi, Hiroyuki; Watanabe, Katsuyuki; Arakawa, Yasuhiko

    2015-07-08

    We present the first direct observation of two-step photon absorption in an InAs/GaAs single quantum dot (QD) using photocurrent spectroscopy with two lasers. The sharp peaks of the photocurrent are shifted due to the quantum confined Stark effect, indicating that the photocurrent from a single QD is obtained. In addition, the intensity of the peaks depends on the power of the secondary laser. These results reveal the direct demonstration of the two-step photon absorption in a single QD. This is an essential result for both the fundamental operation and the realization of ultrahigh solar-electricity energy conversion in quantum dot intermediate-band solar cells.

  2. Broad band nonlinear optical absorption measurements of the laser dye IR26 using white light continuum Z-scan

    Science.gov (United States)

    Dey, Soumyodeep; Bongu, Sudhakara Reddy; Bisht, Prem Ballabh

    2017-03-01

    We study the nonlinear optical response of a standard dye IR26 using the Z-scan technique, but with the white light continuum. The continuum source of wavelength from 450 nm to 1650 nm has been generated from the photonic crystal fiber on pumping with 772 nm of Ti:Sapphire oscillator. The use of broadband incident pulse enables us to probe saturable absorption (SA) and reverse saturable absorption (RSA) over the large spectral range with a single Z-scan measurement. The system shows SA in the resonant region while it turns to RSA in the non-resonant regions. The low saturation intensity of the dye can be explained based on the simultaneous excitation from ground states to various higher energy levels with the help of composite energy level diagram. The cumulative effects of excited state absorption and thermal induced nonlinear optical effects are responsible for the observed RSA.

  3. Effect of Co substitution on absorption properties of SrCoxFe12-xO19 hexagonal ferrites based nanocomposites in X-band

    Science.gov (United States)

    Chakraborty, Soma; Bhattacharyya, Nidhi Saxena; Bhattacharyya, Satyajib

    2017-12-01

    Cobalt doped M-type strontium hexaferrite nanoparticles (SrCoxFe12-xO19, x = 0.2-1.2) is synthesized and used as inclusions in Linear Low Density Polyethylene (LLDPE) matrix for developing nano-composites with 60 wt% of these nanoparticles. Absorption performance of the developed nano-composites is evaluated in the X-band. The thickness optimization is carried out for obtaining maximum reflection loss by using the transmission line model (TLM), with measured values of permittivity and permeability of the composite. The best reflection loss is observed experimentally for x = 0.8 with an absorber thickness of 3 mm for which a wide -10 dB bandwidth covering almost the entire X-band is obtained. The composites are light weight and not affected by exposure to water.

  4. Only Ku-band microwave absorption by Fe{sub 3}O{sub 4}/ferrocenyl-CuPc hybrid nanospheres

    Energy Technology Data Exchange (ETDEWEB)

    Wei Junji; Zhao Rui [Research Branch of Functional Materials, Institute of Microelectronic and Solid State Electronic, High-Temperature Resistant Polymers and Composites Key Laboratory of Sichuan Province, University of Electronic Science and Technology of China, Chengdu 610054 (China); Liu Xiaobo, E-mail: liuxb@uestc.edu.cn [Research Branch of Functional Materials, Institute of Microelectronic and Solid State Electronic, High-Temperature Resistant Polymers and Composites Key Laboratory of Sichuan Province, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2012-10-15

    A novel kind of hybrid nanospheres made of Fe{sub 3}O{sub 4} and ferrocenyl-CuPc (FCP) was prepared via effective solvothermal method and performed microwave absorptivity only in Ku-band with minimum reflection loss of -25 dB at 16.0 GHz corresponding to absorbing about 99.7% content of microwave. Scanning electron microscopy images indicated that the nanospheres with uniform particle size distribution have the average diameter of 135 nm. Due to the synergistic reaction between magnetic ferrocenyl-CuPc and Fe{sub 3}O{sub 4}, the hybrid nanospheres showed novel electromagnetic properties. The real part of complex permittivity of hybrid nanospheres remains stable in the range of 0.5-12.0 GHz and has a large fluctuation at 16.5 GHz. Moreover, the dielectric loss of hybrid nanospheres also appeared a sharp peak at 16.3 GHz with the value of 2.7. The specific gravity of hybrid nanospheres is about 2.08. On the basis of these results, the novel hybrids are believed to have potential applications in the microwave absorbing area in Ku-band. - Highlights: Black-Right-Pointing-Pointer A novel kind of ferrocenyl-CuPc/Fe{sub 3}O{sub 4} hybrid nanospheres was prepared. Black-Right-Pointing-Pointer The hybrids performed microwave absorptivity only in Ku-band. Black-Right-Pointing-Pointer The minimum absorbtion of hybrid nanospheres achieved -25 dB. Black-Right-Pointing-Pointer The material is believed to have broad application in notch filter in Ku-band.

  5. Prototype partial one-third octave band spectrum analyzer for acoustic, vibration and other wideband data for flight applications

    Science.gov (United States)

    1973-01-01

    The design refinement of a compact frequency analyzer for measurement and analysis on board flight vehicles is discussed. The analyzer has been constructed in a partial one-third octave band configuration with six filters and detectors spaced by the square root of 10 from 316 Hz to 100,000 Hz and a broadband detector channel. The analyzer has been tested over a temperature range of 40 to 120 F at a pressure of one atmosphere, and at a temperature of 75 F at an absolute pressure of 0.000001 torr, and has demonstrated at least 60 db of dynamic range.

  6. Chemoselectivity-induced multiple interfaces in MWCNT/Fe3O4@ZnO heterotrimers for whole X-band microwave absorption

    Science.gov (United States)

    Wang, Zhijiang; Wu, Lina; Zhou, Jigang; Jiang, Zhaohua; Shen, Baozhong

    2014-10-01

    A chemoselective route to induce Fe3O4@ZnO core-shell nanoparticles decorating carbon nanotubes to form MWCNT/Fe3O4@ZnO heterotrimers has been developed. Charges are redistributed in the heterotrimers through C-O-Zn, C-O-Fe and Fe-O-Zn bondings, giving rise to multiple electronic phases. The generated significant interfacial polarization and synergetic interaction between dielectric and magnetic absorbers result in the MWCNT/Fe3O4@ZnO heterotrimers with high-performance microwave absorption in an entire X band.A chemoselective route to induce Fe3O4@ZnO core-shell nanoparticles decorating carbon nanotubes to form MWCNT/Fe3O4@ZnO heterotrimers has been developed. Charges are redistributed in the heterotrimers through C-O-Zn, C-O-Fe and Fe-O-Zn bondings, giving rise to multiple electronic phases. The generated significant interfacial polarization and synergetic interaction between dielectric and magnetic absorbers result in the MWCNT/Fe3O4@ZnO heterotrimers with high-performance microwave absorption in an entire X band. Electronic supplementary information (ESI) available: Experimental details and Fig. S1-S7 as mentioned in the text. See DOI: 10.1039/c4nr03040k

  7. Development of non-metallic and conformal dual band meta-skin and its absorption study for microwave applications

    Science.gov (United States)

    Borah, Dipangkar; Bhattacharyya, Nidhi S.

    2017-08-01

    An efficient approach for achieving a dual, conformal and non-metallic metamaterial absorber for microwave applications is proposed in this paper. The unit cell structures are simple circular ring resonators, made up of non-metallic and conducting expanded graphite, fabricated on a linear low density polyethylene substrate. The expanded graphite is synthesized, characterized and processed to be used as a conducting layer. The materials properties of linear low density polyethylene is investigated and found to be a promising candidate for flexible microwave applications. The developed absorber showed more than 90% absorption at 7.72 GHz and 9.92 GHz. Electric and magnetic fields are also simulated at the resonating frequency to understand the absorption mechanism. The proposed expanded graphite based metamaterial absorber possesses the advantages of being ultra-thin, flexible and non-corrosive.

  8. Photochromism of Composite Organometallic Nanostructures Based on Diarylethenes. II. Vibrational Spectroscopy and Quantum Chemistry Studies

    Science.gov (United States)

    Vasilyuk, G. T.; Askirka, V. F.; Lavysh, A. V.; Kurguzenkov, S. A.; Yasinskii, V. M.; Kobeleva, O. I.; Valova, T. M.; Ayt, A. O.; Barachevsky, V. A.; Yarovenko, V. N.; Krayushkin, M. M.; Maskevich, S. A.

    2017-11-01

    The structure and photochromic transformations of nanostructured organometallic composites consisting of Ag nanoparticles with shells of photochromic diarylethenes (DAEs) deposited from various solutions onto the nanoparticles were studied using infrared absorption and surface enhanced Raman scattering (SERS) vibrational spectroscopy and quantum chemistry. The studied nanostructures exhibited photochromic properties manifested as reversible photoinduced changes of the relative intensities of SERS bands related to vibrations of bonds participating in the reversible photoisomerization. Spectral manifestations of chemical interaction between metal nanoparticles and DAE molecules were detected.

  9. Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).

    Science.gov (United States)

    Citir, Murat; Altinay, Gokhan; Metz, Ricardo B

    2006-04-20

    Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.

  10. Acetylene, 12C2H2: new CRDS data and global vibration-rotation analysis up to 8600 cm-1

    OpenAIRE

    Herman, Michel

    2008-01-01

    Abstract The absorption spectrum of 12C2H2 has been recorded using cavity ring downringdown spectroscopy and analyzed in the ranges 60006356 cm and 66677015 cm. Fourteen new bands have been identified and additional J-lines were assigned in 10 already known bands. These new data, together with the published vibration-rotation absorption lines of 12C2H2 accessing vibrational states up to 8600 cm have been gathered in a ...

  11. Transition energies and absorption oscillator strengths for c4' 1Σu+ - X1Σg+, b'1Σu+ - X1Σg+, and and c5'1Σ2+ - X1Σu+ Band Systems in N2

    Science.gov (United States)

    Lavín, C.; Velasco, A. M.

    2017-04-01

    Theoretical transition energies and absorption oscillator strengths for the c4\\prime 1Σu+ (v\\prime = 0-2, 5, 7, 8) - X1Σg+ (v\\prime\\prime = 0-14) and c5\\prime 1 Σu+ (v‧ = 0, 2) - X1 Σg+ (v″ = 0-14) Rydberg bands, and b\\prime 1Σu+ (v‧ = 0-9, 11, 12, 14-19, 21, 22) - X1Σg+ (v″ = 0-14) valence bands of molecular nitrogen are reported. The strong interaction between 1Σu+ states has been dealt with through a vibronic interaction matrix. As a consequence of the Rydberg-valence interaction, irregularities in the vibrational structure of the above band systems are observed. Good agreement is found with the scarce high-resolution data that are available for oscillator strengths. The new band oscillator strengths reported here may be useful for a reliable interpretation of the spectra from atmospheres of the Earth, Titan, and Triton, where N2 is the mayor constituent.

  12. Tuning of microwave absorptive behavior of double substituted barium hexaferrites with change in thickness in 26.5-40.0 GHz band

    Science.gov (United States)

    Arora, Amit; Narang, Sukhleen Bindra

    2017-08-01

    Double substituted M-type barium hexaferrites were synthesized using conventional solid state reaction method. Vector Network Analyzer was used to analyze the microwave absorption properties of synthesized hexaferrites. The complex permittivity and complex permeability of the composite samples have been measured in Ka-band (26.5-40.0 GHz) frequency range. The dielectric constant ( ɛ') of all the samples lies in the range 4.2-7.5 and decreases with the substitution of impurity ions. The values of the dielectric loss ( ɛ″) spectra are almost flat in complete frequency band for the doped samples ( x = 0.05-0.25), which lies in the range 0.25-2.25. The permeability ( μ') decreases with frequency for the doped samples and lies between 0.85 and 1.4. The magnetic loss ( μ″) spectra for the doped samples x = 0.05-0.25 register a loss between 0.00 and 0.21 in whole frequency band. The prepared samples can absorb more than 99% of microwave signal at specific frequencies in the Ka-band. The sample with composition Ba0.8La0.15Na0.15Fe10CoZrO19 shows reflection loss (RL) = -47.55 dB at thickness 3.0 mm with -10 dB bandwidth of 5.13 GHz, while shows RL -25.29 dB with -10 dB bandwidth of 6.75 GHz at thickness 2.6 mm. The results show that with the change in absorber thickness, there is a shift in matching frequency. The material is expected to find relevance in reduction of radar signatures and electro-magnetic interference suppression.

  13. Picosecond excite-and-probe absorption measurement of the intra-2E(g)E(3/2)-state vibrational relaxation time in Ti(3+):Al2O3

    Science.gov (United States)

    Gayen, S. K.; Wang, W. B.; Petricevic, V.; Yoo, K. M.; Alfano, R. R.

    1987-01-01

    The Ti(3+)-doped Al2O3 has been recently demonstrated to be a tunable solid-state laser system with Ti(3+) as the laser-active ion. In this paper, the kinetics of vibrational transitions in the 2E(g)E(3/2) electronic state of Ti(3+):Al2O3a (crucial for characterizing new host materials for the Ti ion) was investigated. A 527-nm 5-ps pulse was used to excite a band of higher vibrational levels of the 2E(g)E(3/2) state, and the subsequent growth of population in the zero vibrational level and lower vibrational levels was monitored by a 3.9-micron picosecond probe pulse. The time evolution curve in the excited 2E(g)E(3/2) state at room temperature was found to be characterized by a sharp rise followed by a long decay, the long lifetime decay reflecting the depopulation of the zero and the lower vibrational levels of the 2E(g)E(3/2) state via radiative transitions. An upper limit of 3.5 ps was estimated for intra-2E(g)E(3/2)-state vibrational relaxation time.

  14. Vibrational coherence in polar solutions of Zn(II) tetrakis(N-methylpyridyl)porphyrin with Soret-band excitation: rapidly damped intermolecular modes with clustered solvent molecules and slowly damped intramolecular modes from the porphyrin macrocycle.

    Science.gov (United States)

    Dillman, Kevin L; Shelly, Katherine R; Beck, Warren F

    2009-04-30

    Ground-state coherent wavepacket motions arising from intermolecular modes with clustered, first-shell solvent molecules were observed using the femtosecond dynamic absorption technique in polar solutions of Zn(II) meso-tetrakis(N-methylpyridyl)porphyrin (ZnTMPyP) with excitation in the Soret absorption band. As was observed previously in bacteriochlorophyll a solution, the pump-probe transients in ZnTMPyP solutions are weakly modulated by slowly damped (effective damping time gamma > 1 ps) features that are assigned to intramolecular modes, the skeletal normal modes of vibration of the porphyrin. The 40 cm(-1) and 215 cm(-1) modes from the metal-doming and metal-solvent-ligand modes, respectively, are members of this set of modulation components. A slowly damped 2-4 cm(-1) component is assigned to the internal rotation of the N-methylpyridyl rings with respect to the porphyrin macrocycle; this mode obtains strong resonance Raman intensity enhancement from an extensive delocalization of pi-electron density from the porphyrin in the ground state onto the rings in the pi* excited states. The dominant features observed in the pump-probe transients are a pair of rapidly damped (gamma modes with solvent molecules. This structural assignment is supported by an isotope-dependent shift of the average mode frequencies in methanol and perdeuterated methanol. The solvent dependence of the mean intermolecular mode frequency is consistent with a van der Waals intermolecular potential that has significant contributions only from the London dispersion and induction interactions; ion-dipole or ion-induced-dipole terms do not make large contributions because the pi-electron density is not extensively delocalized onto the N-methylpyridyl rings. The modulation depth associated with the intermolecular modes exhibits a marked dependence on the electronic structure of the solvent that is probably related to the degree of covalency; the strongest modulations are observed in acetonitrile

  15. X, Ku-band microwave-absorption properties of polyarylene ether nitriles terminated with phthalonitrile/Fe{sub 3}O{sub 4} hybrid submicron spheres

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Lifen, E-mail: 361626614@qq.com; Pu, Zejun; Huang, Xu; Liu, Xiaobo, E-mail: liuxb@uestc.edu.cn

    2014-05-01

    Highlights: • PEN-t-Ph/Fe{sub 3}O{sub 4} hybrid spheres were prepared via one-step solvothermal method. • Polymer compatibility is introduced into inorganic submicron spheres successfully. • PEN-t-Ph/Fe{sub 3}O{sub 4} hybrid submicron spheres possessed good ferrimagnetism. • Control the microwave absorption band of PEN-t-Ph/Fe{sub 3}O{sub 4} hybrid submicron spheres. - Abstract: A novel series of PEN-t-Ph/Fe{sub 3}O{sub 4} hybrid submicron spheres with different additions of PEN-t-Ph have been prepared successfully via solvothermal method, and their structures and morphologies were characterized by X-ray powder diffraction (XRD), energy dispersive spectrometer (EDS), Fourier transform infrared spectrophotometer (FTIR), and scanning electron microscopy (SEM). The results revealed that the crystallinity, dispersity, and size of hybrid submicron spheres can be controlled by altering the addition content of PEN-t-Ph. Magnetization measurement showed that the PEN-t-Ph/Fe{sub 3}O{sub 4} hybrid submicron spheres possessed good ferrimagnetism. The electromagnetic measurement indicated that the resonance peaks of complex permittivity, complex permeability, dielectric loss, and magnetic loss were shifted to the higher frequency as the addition of PEN-t-Ph increased. Moreover, the microwave absorption band was also shifted to higher frequency as the addition of PEN-t-Ph increased. Through this method, the polymer compatibility can be introduced into inorganic submicron spheres, which could provide the inorganic particles with more applications.

  16. Highly ordered monolayer/bilayer TiO2 hollow sphere films with widely tunable visible-light reflection and absorption bands.

    Science.gov (United States)

    Li, Jie; Qin, Yao; Jin, Chao; Li, Ying; Shi, Donglu; Schmidt-Mende, Lukas; Gan, Lihua; Yang, Jinhu

    2013-06-07

    Monolayer and bilayer TiO2 hollow hemisphere/sphere (THH/THS) films consisting of highly ordered hexagonal-patterned THHs/THSs with thin shells of ~10 nm and different diameters of ~170 and ~470 nm have been prepared by templating of two-dimensional polystyrene sphere (PS) assembly films coupled with TiO2 sputtering/wet coating approaches. Owing to their precisely adjustable structural parameters, such as THH/THS shape and diameter as well as film layer thickness, the prepared THH/THS films exhibit widely tunable visible-light reflection and absorption bands, i.e. from 380 to 850 nm for reflection and 390 to 520 nm for absorption, respectively. The mechanism of the novel optical behaviors of the THH/THS films has been discussed in depth, combined with some calculations according to Bragg's law. In addition, photocatalytic experiments of RhB degradation employing the THH/THS films as recyclable catalysts have been conducted. The THH/THS films with controlled structures and precisely tunable optical properties are attractive for a wide range of applications, such as recyclable catalysts for photocatalysis, efficient oxide electrodes or scattering layers for solar cells, gas-permeable electrode materials for high-performance sensors and so on.

  17. Eu3+-activated Y2MoO6: a narrow band red-emitting phosphor with strong near-UV absorption.

    Science.gov (United States)

    He, Xianghong; Bian, Danping; Wang, Hao; Xu, Jian

    2013-01-01

    Near-UV excited narrow line red-emitting phosphors, Eu(3+)-activated Y2MoO6 systems, were synthesized using a simple molten salt reaction. The structure and photoluminescence characteristics were investigated using X-ray powder diffraction, UV-Vis absorption and fluorescent spectrophotometry. The excitation spectra show strong broad-band absorptions in the near-UV to blue light regions which match the radiation of near-UV light-emitting diode chips well. Under excitation of either near-UV or blue light, intense red emission with a main peak of 611 nm is observed, ascribed to the (5)D0-(7)F2 transition of Eu(3+) ions; the optimal doping concentration is 20 mol%. The chromaticity coordinates (x = 0.65, y = 0.34) of the as-obtained phosphor are very close to the National Television Standard Committee standard values (x = 0.67, y = 0.33). All these characteristics suggest that this material is a promising red-emitting phosphor candidate for white-LEDs based on near-UV LED chips. Copyright © 2012 John Wiley & Sons, Ltd.

  18. Effects of deposition methods and processing techniques on band gap, interband electronic transitions, and optical absorption in perovskite CH3NH3PbI3 films

    Science.gov (United States)

    Li, Wenwu; Sha, Tingting; Wang, Yan; Yu, Wenlei; Jiang, Kai; Zhou, Hang; Liu, Chuan; Hu, Zhigao; Chu, Junhao

    2017-07-01

    Despite intensive studies on the improvements of conversion efficiencies in solar cells, many questions regarding the effects of deposition techniques on optical properties and electronic band structures of CH3NH3PbI3 (MAPbI3) remain unresolved. Here, perovskite MAPbI3 films were prepared using different deposition methods and processing techniques. The effects of deposition and processing parameters on dielectric functions and optical absorption were investigated by fitting the reflectance spectra in the photon energy range of 0.5-5.16 eV. It is found that the bandgap (Eg) of the films deposited by two-step spinning (1.591 eV) is larger than that prepared by evaporations (1.514 eV), due to different Pb-I orbital hybridization and spin-orbit coupling. Moreover, the Eg value of the films increases from 1.543 eV to 1.591 eV after toluene solution dripping. Five interband electronic transitions ( Ep 1, Ep 2, Ep 3, Ep 4 , and Ep 5 ) are observed, and the origins of Ep 2, Ep 3 , and Ep 4 are assigned to the direct transitions between the highest valence band and the lowest lying conduction band at the R, M, and X symmetry points. Further, the transition energies of the films deposited by evaporation are less than those prepared by two-step spinning. The present results shed light on preparing more reliable and reproducible high performance MAPbI3-based solar cells.

  19. Sweeping shunted electro-magnetic tuneable vibration absorber: Design and implementation

    Science.gov (United States)

    Turco, E.; Gardonio, P.

    2017-10-01

    This paper presents a study on the design and implementation of a time-varying shunted electro-magnetic Tuneable Vibration Absorber for broad-band vibration control of thin structures. A time-varying RL-shunt is used to harmonically vary the stiffness and damping properties of the Tuneable Vibration Absorber so that its mechanical fundamental natural frequency is continuously swept in a given broad frequency band whereas its mechanical damping is continuously adapted to maximize the vibration absorption from the hosting structure where it is mounted. The paper first recalls the tuning and positioning criteria for the case where a classical Tuneable Vibration Absorber is installed on a thin walled cylindrical structure to reduce the response of a resonating flexural mode. It then discusses the design of the time-varying shunt circuit to produce the desired stiffness and damping variations in the electro-magnetic Tuneable Vibration Absorber. Finally, it presents a numerical study on the flexural vibration and interior sound control effects produced when an array of these shunted electro-magnetic Tuneable Vibration Absorbers are mounted on a thin walled cylinder subject to a rain-on-the-roof stochastic excitation. The study shows that the array of proposed systems effectively controls the cylinder flexural response and interior noise over a broad frequency band without need of tuning and thus system identification of the structure. Therefore, the systems can be successfully used also on structures whose physical properties vary in time because of temperature changes or tensioning effects for example.

  20. Out-of-plane vibrations of acetone oxime-D o and -D 6

    Science.gov (United States)

    Keresztury, G.; Holly, S.; Incze, M.

    1984-03-01

    The Raman and polarized i.r. spectra of crystalline acetone oxime-d 6 (AD-d 6) were recorded and used for a complete assignment of the fundamental vibrations. Experimental evidence is presented for the assignment of the 650 cm -1 infrared absorption band of AO-d 0 and -d 6 crystals to a hot transition of the OH out-of-plane bending vibration. A simplified force field is proposed for the out-of-plane vibrations of the molecule.

  1. Vibrational kinetics in Cl2 and O2 low-pressure inductively-coupled plasmas

    Science.gov (United States)

    Booth, Jean-Paul; Foucher, Mickael; Marinov, Daniil; Chabert, Pascal; Annusova, Anna; Guerra, Vasco; Agarwal, Ankur; Rauf, Shahid

    2015-09-01

    Low energy electron interactions with molecules via resonances can cause vibrational excitation (affecting chemical kinetics), electron energy loss and modification of the EEDF. However, with the exception of N2 and H2 plasmas, very little attention has been paid to this subject. We have implemented a novel high-sensitivity ultra-broadband UV absorption bench, allowing spectra to be recorded with noise as low as 2×10-5 over a 250 nm wavelength range, and recording of complete vibronic bands. We applied this to radiofrequency inductively-coupled plasmas in low pressure (5-50 mTorr) pure O2 and pure Cl2. In O2 plasmas we surprisingly observe highly vibrationally excited O2 (v'' up to 18) via B-X Schumann-Runge bands. Cl2 molecules show a broad UV absorption spectrum in the region 250-400 nm, with distinctly different absorption spectra for vibrationally excited molecules. However, only a small fraction of the Cl2 molecules were observed in vibrationally excited states and the vibrational temperature is close to equilibrium with the local gas translational temperature (up to 1000 K), in contrast to O2. We are currently working on global models with vibrational kinetics to explain these results. Work supported by LABEX Plas@par (ANR-11-IDEX-0004-02), and Applied Materials.

  2. Low-frequency vibration control of floating slab tracks using dynamic vibration absorbers

    Science.gov (United States)

    Zhu, Shengyang; Yang, Jizhong; Yan, Hua; Zhang, Longqing; Cai, Chengbiao

    2015-09-01

    This study aims to effectively and robustly suppress the low-frequency vibrations of floating slab tracks (FSTs) using dynamic vibration absorbers (DVAs). First, the optimal locations where the DVAs are attached are determined by modal analysis with a finite element model of the FST. Further, by identifying the equivalent mass of the concerned modes, the optimal stiffness and damping coefficient of each DVA are obtained to minimise the resonant vibration amplitudes based on fixed-point theory. Finally, a three-dimensional coupled dynamic model of a metro vehicle and the FST with the DVAs is developed based on the nonlinear Hertzian contact theory and the modified Kalker linear creep theory. The track irregularities are included and generated by means of a time-frequency transformation technique. The effect of the DVAs on the vibration absorption of the FST subjected to the vehicle dynamic loads is evaluated with the help of the insertion loss in one-third octave frequency bands. The sensitivities of the mass ratio of DVAs and the damping ratio of steel-springs under the floating slab are discussed as well, which provided engineers with the DVA's adjustable room for vibration mitigation. The numerical results show that the proposed DVAs could effectively suppress low-frequency vibrations of the FST when tuned correctly and attached properly. The insertion loss due to the attachment of DVAs increases as the mass ratio increases, whereas it decreases with the increase in the damping ratio of steel-springs.

  3. Optical homogeneity analysis of Hg1-xCdxTe epitaxial layers: How to circumvent the influence of impurity absorption bands?

    Science.gov (United States)

    Wang, Han; Hong, Jin; Yue, Fangyu; Jing, Chengbin; Chu, Junhao

    2017-05-01

    Optical absorption and photoluminescence spectroscopies are standard tools for analysis of HgHg1-xCdxTe epitaxial layers in terms of homogeneity of the mole-fraction (x). For technological relevant layer thicknesses of ∼10 μm, both techniques may show dissimilar results, in particular if doped layers are investigated. This is due to defect levels, which impact to the results obtained by both techniques in different ways. We systematically investigate this behavior by analyzing two sets of HgCdTe layers, one set intrinsically doped by Hg-vacancies, the other extrinsically doped by arsenic (As). A model is outlined and applied to the experimental results, which consistently explains even non-monotonous temperature-shifts of the spectra. Eventually, guidelines for optical homogeneity tests are given. While transmission measurements are most reliable, when carried out at low temperature, where the defect level are frozen out, photoluminescence provides best results at ambient temperature, where band-states are increasingly populated. Both approaches help to reveal intrinsic material properties.

  4. Forward modeling and retrieval of water vapor from the Global Ozone Monitoring Experiment: Treatment of narrowband absorption spectra

    NARCIS (Netherlands)

    Lang, R.; Maurellis, A.N.; van der Zande, W.J.; Aben, I.; Landgraf, J.; Ubachs, W.M.G.

    2002-01-01

    [1] We present the algorithm and results for a new fast forward modeling technique applied to the retrieval of atmospheric water vapor from satellite measurements using a weak ro-vibrational overtone band in the visible. The algorithm uses an Optical Absorption Coefficient Spectroscopy (OACS) method

  5. First rotational analysis of the (111) and (021) vibrational state of S16O18O from the "hot" ν1 +ν2 +ν3 -ν2 and 2ν2 +ν3 -ν2 bands

    Science.gov (United States)

    Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Ziatkova, A. G.; Sklyarova, E. A.; Kuznetsov, S. I.; Sydow, C.; Bauerecker, S.

    2017-11-01

    The rotational structure of the (111) and (021) vibrational states is determined for the first time from the high resolution analysis of the ν1 +ν2 +ν3 -ν2 and 2ν2 +ν3 -ν2 ;hot; bands. The 480 and 74 transitions of these bands (Jmax /Kamax = 45/14 and 15/12 respectively) were assigned in the spectra, which have been recorded with the Bruker IFS 120 Fourier transform infrared (FTIR) spectrometer. A weighted fit analysis allowed us to generate a set of 5 fitted parameters for the (111) state and 4 fitted parameters for the (021) state. Calculation with the 9 parameters, obtained from the fit, reproduces the initial 363 energy values (about 550 assigned experimental transitions) of two vibrational states with the drms deviations of 3.2 ×10-4 cm-1 , which is comparable with the experimental uncertainties of very weak transitions of the ν1 +ν2 +ν3 -ν2 and 2ν2 +ν3 -ν2 ;hot; bands in our experiment.

  6. A mid-infrared absorption diagnostic for acetylene detection

    Science.gov (United States)

    KC, Utsav; Nasir, Ehson F.; Farooq, Aamir

    2015-08-01

    Acetylene is an important combustion intermediate and plays a critical role in soot formation. Accurate measurements of trace concentrations of acetylene can be very useful in validating hydrocarbon oxidation and soot formation mechanisms. Strongest vibrational band of acetylene near 13.7 μm is probed here to develop a highly sensitive absorption diagnostic. Experiments are carried out behind reflected shock waves to measure absorption cross sections of acetylene near 730 cm-1 over a wide range of temperatures (1000-2200 K) and pressures (1-5 bar). The diagnostic is demonstrated by measuring acetylene formation during the shock-heated pyrolysis and oxidation of propene.

  7. Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu 5Ta11O30 materials

    KAUST Repository

    Harb, Moussab

    2014-01-01

    We present a joint theoretical and experimental investigation of the optoelectronic properties of CuVO3, CuNbO3 and Cu 5Ta11O30 materials for potential photocatalytic and solar cell applications. In addition to the experimental results obtained by powder X-ray diffraction and UV-Vis spectroscopy of the materials synthesized under flowing N2 gas at atmospheric pressure via solid-state reactions, the electronic structure and the UV-Vis optical absorption coefficient of these compounds are predicted with high accuracy using advanced first-principles quantum methods based on DFT (including the perturbation theory approach DFPT) within the screened coulomb hybrid HSE06 exchange-correlation formalism. The calculated density of states are found to be in agreement with the UV-Vis diffuse reflectance spectra, predicting a small indirect band gap of 1.4 eV for CuVO3, a direct band gap of 2.6 eV for CuNbO3, and an indirect (direct) band gap of 2.1 (2.6) eV for Cu5Ta 11O30. It is confirmed that the Cu(i)-based multi-metal oxides possess a strong contribution of filled Cu(i) states in the valence band and of empty d0 metal states in the conduction band. Interestingly, CuVO3 with its predicted small indirect band gap of 1.4 eV shows the highest absorption coefficient in the visible range with a broad absorption edge extending to 886 nm. This novel result offers a great opportunity for this material to be an excellent candidate for solar cell applications. © the Partner Organisations 2014.

  8. Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

    Directory of Open Access Journals (Sweden)

    Veronica Vaida

    2008-01-01

    Full Text Available Atmospheric chemical reactions are often initiated by ultraviolet (UV solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical reactions. Experimental and theoretical O–H intensities of several carboxylic acids, alcohols, and peroxides are presented. The importance of combination bands in spectra at chemically relevant energies is examined in the context of atmospheric photochemistry. Candidate systems for overtone-initiated chemistry are provided, and their lowest energy barrier for reaction and the minimum quanta of O–H stretch required for reaction are calculated. We conclude with a discussion of the major pathways available for overtone-induced reactions in the atmosphere.

  9. High-resolution Absorption Spectra of Acetylene in 142.8-152.3 nm

    Science.gov (United States)

    Hu, Ya-hua; Zhen, Chen; Dai, Jing-hua; Zhou, Xiao-guo; Liu, Shi-lin

    2008-10-01

    The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (u2 = 0-2) of the tilde C1 IIu state of acetylene. The observed shoulder peak at 148.2 nm is assigned to the first overtone band of the trans-bending mode u4 of the tilde C1 IIustate of acetylene. Additionally, the two components, 4o2(μ1IIu) and 4o2(κ1 IIuare suggested to exhibit in the present absorption spectra, due to their Renner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.

  10. The construction of carbon-coated Fe3O4 yolk-shell nanocomposites based on volume shrinkage from the release of oxygen anions for wide-band electromagnetic wave absorption.

    Science.gov (United States)

    Wang, Kan; Wan, Gengping; Wang, Guilong; He, Zhengyi; Shi, Shaohua; Wu, Lihong; Wang, Guizhen

    2018-02-01

    The demand for microwave absorbing materials with strong absorption capability and wide absorption band is increasing due to serious electromagnetic interference issues and defense stealth technology needs. Here the carbon-coated Fe3O4 (Fe3O4@C) yolk-shell composites were successfully synthesized in a large scale for the application of microwave absorption through an in-situ reduction process from carbon-coated γ-Fe2O3 precursor. The results show that the Fe3O4 nanoparticles are uniformly coated with a thin carbon layer about 10nm in thickness and a clear void about 1 nm in width between Fe3O4 core and carbon shell are formed due to the volume shrinkage during the reduction treatment. The obtained yolk-shell composites exhibit excellent microwave absorption properties. The absorption bandwidth with RL values exceeding -10dB is up to 5.4GHz for the absorber with a thickness of 2.2mm. The optimal RL can reach up to -45.8dB at 10.6GHz for the composite with a thickness of 3.0mm. The outstanding microwave absorption properties may be attributed to the multiple interfacial polarization, good impedance match and multiple reflections and scattering owing to the unique yolk-shell structures. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. Absorption in periodic layered structures

    OpenAIRE

    Moroz, Alexander; Tip, Adriaan; Combes, Jean-Michel

    2000-01-01

    Photonic band structure of metal-dielectric and semiconductor-dielectric layered structures are studied in the presence of a strong absorption. It is shown that absorption can enlarge some gaps by as much as 50%.

  12. Reducing vibration transfer from power plants by active methods

    Science.gov (United States)

    Kiryukhin, A. V.; Milman, O. O.; Ptakhin, A. V.

    2017-12-01

    The possibility of applying the methods of active damping of vibration and pressure pulsations for reducing their transfer from power plants into the environment, the seating, and the industrial premises are considered. The results of experimental works implemented by the authors on the active broadband damping of vibration and dynamic forces after shock-absorption up to 15 dB in the frequency band up to 150 Hz, of water pressure pulsations in the pipeline up to 20 dB in the frequency band up to 600 Hz, and of spatial low-frequency air noise indoors of a diesel generator at discrete frequency up to 20 dB are presented. It is shown that a reduction of vibration transfer through a vibration-isolating junction (expansion joints) of pipelines with liquid is the most complicated and has hardly been developed so far. This problem is essential for vibration isolation of power equipment from the seating and the environment through pipelines with water and steam in the power and transport engineering, shipbuilding, and in oil and gas pipelines in pumping stations. For improving efficiency, reducing the energy consumption, and decreasing the overall dimensions of equipment, it is advisable to combine the work of an active system with passive damping means, the use of which is not always sufficient. The executive component of the systems of active damping should be placed behind the vibration isolators (expansion joints). It is shown that the existence of working medium and connection of vibration with pressure pulsations in existing designs of pipeline expansion joints lead to growth of vibration stiffness of the expansion joint with the environment by two and more orders as compared with the static stiffness and makes difficulties for using the active methods. For active damping of vibration transfer through expansion joints of pipelines with a liquid, it is necessary to develop expansion joint structures with minimal connection of vibrations and pulsations and minimal

  13. High-resolution infrared spectroscopy of CH2D79Br: ro-vibrational analysis of the ν4 and ν8 fundamental bands

    DEFF Research Database (Denmark)

    Stoppa, P.; Visinoni, R.; Baldacci, A.

    2017-01-01

    The high-resolution Fourier transform infrared spectrum of CH2D79Br has been recorded and analysed in the region of the ν4 and ν8 fundamentals located in the range 1125−1360 cm−1. The strong ν4 band, centred at 1225 cm−1, shows an a/b-hybrid structure with predominant a-type character, whereas ν8....../ν8/2ν6/ν5+ν6 by also including in the dataset the assigned transitions of the 2ν6−ν6 and ν5+ν6−ν6 hot bands obtained from previous analysis....

  14. Photoacoustic Detection of New Bands of HCN between 11 390 and 13 020 cm(-1).

    Science.gov (United States)

    Lecoutre; Rohart; Huet; Maki

    2000-09-01

    A laser photoacoustic technique has been used to measure the absorption spectrum of HCN in the region from 11 390 to 13 020 cm(-1) with a resolution that is limited by the Doppler- and pressure-broadened linewidth. This is a very sensitive technique that has allowed us to measure very weak bands with a small volume of gas. These measurements provide the rovibrational constants for a number of newly observed vibrational energy levels. Copyright 2000 Academic Press.

  15. Resonant Femtosecond Stimulated Raman Band Intensity and S_{n} State Electronic Structure

    Science.gov (United States)

    Quincy, Timothy J.; Barclay, Matthew S.; Caricato, Marco; Elles, Christopher G.

    2017-06-01

    Femtosecond Stimulated Raman Spectroscopy (FSRS) is a powerful technique capable of providing dynamic vibrational information on molecular excited states. When combined with transient electronic spectroscopies such as Pump-Probe or Pump-Repump-Probe, the excited state dynamics can be viewed with greater clarity. Due to the low intensities of Raman scattering typical for FSRS, experiments are commonly performed with the Raman pump in resonance with the excited state absorption to take advantage of resonance enhancement. However, the inherent information about the resonant state embedded in the Raman scattering is not a well explored component of the technique. 2,5-diphenylthiophene (DPT) in solution is used as a model system to study the wavelength dependence of the excited state Raman resonance enhancement. DPT has strong excited state absorption and stimulated emission bands within the tunable range of the Raman pump, allowing a wide variety of resonance conditions to be probed. Varying the Raman pump wavelength across the excited state absorption band produces different trends in both the absolute and relative magnitudes of the resulting FSRS vibrational modes. Comparing with calculations of the S_{1} vibrational modes, we determine the structure of the resonant S_{n} state potential energy surface based on the motions of the resonantly enhanced vibrations.

  16. Theoretical study of the AlO blue-green (B2Sigma + - X2Sigma +) band system

    Science.gov (United States)

    Partridge, H.; Langhoff, S. R.; Lengsfield, B. H., III; Liu, B.

    1983-01-01

    Two independent, extensive theoretical calculations are reported for the relative band strengths of the AlO (B2Sigma + - X2Sigma +) blue-green system and for the radiative lifetimes of the lowest few vibrational levels of the B2Sigma(+) state. The theoretical lifetimes, which include a small (less than -.5 percent) contribution from bound-bound transitions into the A2Pi state, are in excellent agreement with laser fluorescence studies. The theoretical lifetimes increase monotonically and very slowly with increasing vibrational quantum number. The relative band strengths for the blue-green system derived from the two theoretical calculations are in excellent agreement, but differ systematically from the relative band strengths of Linton and Nicholls (1969). The present results suggest that their self-absorption corrections are not large enough, resulting in relative intensities that are too large, especially for the weak bands with r centroids less than 1.5 A.

  17. Experimental and theoretical study of the vibrational spectra of oligoureas: helical versus β-sheet-type secondary structures.

    Science.gov (United States)

    Cavagnat, Dominique; Claudon, Paul; Fischer, Lucile; Guichard, Gilles; Desbat, Bernard

    2011-04-21

    Ab initio calculations of two oligoureas stabilized in helix and sheet organization have been performed. The hydrogen bond distances were found to be almost the same for both structures. The vibrational assignment of the two oligourea structures and the direction of the transition moment of each vibration have been determined. From these results, and using the experimental isotropic optical index determined for one oligourea, we have established the anisotropic infrared optical files for the two structures. Interestingly, most urea absorptions vibrate in only one principal direction. Also, the shift of the carbonyl band is weaker and inverse to what was reported for corresponding protein secondary structures. Finally, simulations of the Polarization Modulation Infrared Reflection Absorption Spectroscopy (PMIRRAS) and Attenuated Reflection Spectroscopy (ATR) infrared spectra demonstrate the possibility to determine the orientation of the oligoureas in thin or ultrathin films, even if in some cases it may be difficult to unambiguously assign their secondary structure.

  18. On the dependence of the OH* Meinel emission altitude on vibrational level: SCIAMACHY observations and model simulations

    Directory of Open Access Journals (Sweden)

    J. P. Burrows

    2012-09-01

    Full Text Available Measurements of the OH Meinel emissions in the terrestrial nightglow are one of the standard ground-based techniques to retrieve upper mesospheric temperatures. It is often assumed that the emission peak altitudes are not strongly dependent on the vibrational level, although this assumption is not based on convincing experimental evidence. In this study we use Envisat/SCIAMACHY (Scanning Imaging Absorption spectroMeter for Atmospheric CHartographY observations in the near-IR spectral range to retrieve vertical volume emission rate profiles of the OH(3-1, OH(6-2 and OH(8-3 Meinel bands in order to investigate whether systematic differences in emission peak altitudes can be observed between the different OH Meinel bands. The results indicate that the emission peak altitudes are different for the different vibrational levels, with bands originating from higher vibrational levels having higher emission peak altitudes. It is shown that this finding is consistent with the majority of the previously published results. The SCIAMACHY observations yield differences in emission peak altitudes of up to about 4 km between the OH(3-1 and the OH(8-3 band. The observations are complemented by model simulations of the fractional population of the different vibrational levels and of the vibrational level dependence of the emission peak altitude. The model simulations reproduce the observed vibrational level dependence of the emission peak altitude well – both qualitatively and quantitatively – if quenching by atomic oxygen as well as multi-quantum collisional relaxation by O2 is considered. If a linear relationship between emission peak altitude and vibrational level is assumed, then a peak altitude difference of roughly 0.5 km per vibrational level is inferred from both the SCIAMACHY observations and the model simulations.

  19. Terahertz Absorption Spectroscopy of Benzamide, Acrylamide, Caprolactam, Salicylamide, and Sulfanilamide in the Solid State

    Directory of Open Access Journals (Sweden)

    Ye Jiang

    2014-01-01

    Full Text Available Terahertz (THz absorption spectra of the similarly structured molecules with amide groups including benzamide, acrylamide, caprolactam, salicylamide, and sulfanilamide in the solid phase at room temperature and 7.8 K for salicylamide are reported and compared to infrared vibrational spectral calculations using density functional theory. The results of THz absorption spectra show that the molecules have characteristic bands in the region of 0.2–2.6 THz (~7–87 cm−1. THz technique can be used to distinguish different molecules with amide groups. In the THz region benzamide has three bands at 0.83, 1.63, and 1.73 THz; the bands are located at 1.44 and 2.00 THz for acrylamide; the bands at 1.24, 1.66 and 2.12 THz are observed for caprolactam. The absorption bands are located at 1.44, 1.63, and 2.39 THz at room temperature, and at 1.22, 1.46, 1.66, and 2.41 THz at low temperature for salicylamide. The bands at 1.63, 1.78, 2.00, and 2.20 THz appear for sulfanilamide. These bands in the THz region may be related to torsion, rocking, wagging, and other modes of different groups in the molecules.

  20. Band engineering of amorphous silicon ruthenium thin film and its near-infrared absorption enhancement combined with nano-holes pattern on back surface of silicon substrate

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Anran; Zhong, Hao [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Li, Wei, E-mail: wli@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Gu, Deen; Jiang, Xiangdong [School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Jiang, Yadong [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2016-10-30

    Highlights: • The increase of Ru concentration leads to a narrower bandgap of a-Si{sub 1-x}Ru{sub x} thin film. • The absorption coefficient of a-Si{sub 1-x}Ru{sub x} is higher than that of SiGe. • A double-layer absorber comprising of a-Si{sub 1-x}Ru{sub x} film and Si nano-holes layer is achieved. - Abstract: Silicon is widely used in semiconductor industry but has poor performance in near-infrared photoelectronic devices because of its bandgap limit. In this study, a narrow bandgap silicon rich semiconductor is achieved by introducing ruthenium (Ru) into amorphous silicon (a-Si) to form amorphous silicon ruthenium (a-Si{sub 1-x}Ru{sub x}) thin films through co-sputtering. The increase of Ru concentration leads to an enhancement of light absorption and a narrower bandgap. Meanwhile, a specific light trapping technique is employed to realize high absorption of a-Si{sub 1-x}Ru{sub x} thin film in a finite thickness to avoid unnecessary carrier recombination. A double-layer absorber comprising of a-Si{sub 1-x}Ru{sub x} thin film and silicon random nano-holes layer is formed on the back surface of silicon substrates, and significantly improves near-infrared absorption while the leaky light intensity is less than 5%. This novel absorber, combining narrow bandgap thin film with light trapping structure, may have a potential application in near-infrared photoelectronic devices.

  1. Absorption measurement of nu2 + 2nu3 band of CH4 at 1.33 microm using an InGaAsP light emitting diode.

    Science.gov (United States)

    Chan, K; Ito, H; Inaba, H

    1983-12-01

    The combination band of nu2 + 2nu3 of CH4 at 1.33 microm (7512 cm(-1)) was observed at 0.3-cm(-1) resolution by a simple experimental arrangement using a near-infrared high-radiant InGaAsP light emitting diode (LED) and a Ge detector. Forty-six line centers were measured with accuracies of 0.03 cm(-1). The assignment of these manifolds was made by inspection of the P, Q, and R branches. The experimental result indicates that the nu2 + 2nu3 band can be used for fully optical remote monitoring of methane using InGaAsP optical sources in conjunction with an ultralow-loss optical fiber network.

  2. Cirrus Cloud Optical and Microphysical Property Retrievals from eMAS During SEAC4RS Using Bi-Spectral Reflectance Measurements Within the 1.88 micron Water Vapor Absorption Band

    Science.gov (United States)

    Meyer, K.; Platnick, S.; Arnold, G. T.; Holz, R. E.; Veglio, P.; Yorks, J.; Wang, C.

    2016-01-01

    Previous bi-spectral imager retrievals of cloud optical thickness (COT) and effective particle radius (CER) based on the Nakajima and King (1990) approach, such as those of the operational MODIS cloud optical property retrieval product (MOD06), have typically paired a non-absorbing visible or near-infrared wavelength, sensitive to COT, with an absorbing shortwave or midwave infrared wavelength sensitive to CER. However, in practice it is only necessary to select two spectral channels that exhibit a strong contrast in cloud particle absorption. Here it is shown, using eMAS observations obtained during NASAs SEAC4RS field campaign, that selecting two absorbing wavelength channels within the broader 1.88 micron water vapor absorption band, namely the 1.83 and 1.93 micron channels that have sufficient differences in ice crystal single scattering albedo, can yield COT and CER retrievals for thin to moderately thick single-layer cirrus that are reasonably consistent with other solar and IR imager-based and lidar-based retrievals. A distinct advantage of this channel selection for cirrus cloud retrievals is that the below cloud water vapor absorption minimizes the surface contribution to measured cloudy TOA reflectance, in particular compared to the solar window channels used in heritage retrievals such as MOD06. This reduces retrieval uncertainty resulting from errors in the surface reflectance assumption, as well as reduces the frequency of retrieval failures for thin cirrus clouds.

  3. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  4. Study on the optical absorption and green emission of ZnO phosphors by varying Al doping contents

    Science.gov (United States)

    Li, Chundong; Lv, Jinpeng; Liang, Zhiqiang; Yao, Shulong

    2013-01-01

    The blue band optical absorption and green luminescence of ZnO phosphors doping with aluminum are systematic studied. The Al content is varied from 0.01 at.% to 1 at.%. SEM images illustrated that Al doping can effectively suppress the ZnO grain growth. XRD results clearly manifest that the Al solubility limit in ZnO is around 0.1 at.%. It is also found that the E1 (LO) vibration mode in the Raman spectra exhibits a good correlation with the blue band optical absorption and green photoluminescence. The results revealed that both VO0 and VO+ can give rise to the E1 (LO) vibration mode. We conclude that the VO and Oi defects are the dominant reason of the green photoluminescence in ZnO phosphors, in oxygen-deficient and oxygen-rich conditions, respectively.

  5. Infrared spectrum of 4-methoxypicolinic acid N-oxide: computation of asymmetric O-H stretching band.

    Science.gov (United States)

    Balazic, Katja; Stare, Jernej; Mavri, Janez

    2007-01-01

    In this article we studied the strong intramolecularly hydrogen-bonded system 4-methoxypicolinic acid N-oxide. The potential energy surface V = V(rOH,rOO) and the corresponding dipole moment function were calculated using the DFT B3LYP/6-31+G(d,p) level of approximation. The time-independent vibrational Schrödinger equation was solved using a rectangular grid basis set and shifted Gaussian basis set. The vibrational spectrum and metric parameters were also calculated. Effects of deuteration were considered. The calculated vibrational spectra were compared with the experimental spectra. The vibrational transition corresponding to asymmetric O-H stretching that occurs at about 1400 cm-1 compares well with the experimentally assigned O-H asymmetric stretching band centered at 1380 cm-1. The corresponding asymmetric O-D stretching band was predicted to be at 1154 cm-1, while the experimental O-D band was not assigned due to its very low intensity. Several overtones and hot transitions of significant intensities were located in the vicinity of the fundamental O-H stretching frequency, effectively broadening the infrared absorption attributed to the O-H stretching mode. This is in a good agreement with the observed broad protonic absorptions found in the infrared spectra of the title compound and its analogs. We have shown that the Gaussian basis set is the method of choice for a two-dimensional vibrational problem that requires several hundreds of vibrational basis functions and when high accuracy of the eigenvalues is required or when extending the calculations to more vibrational degrees of freedom. We have also demonstrated that for a large number of basis functions the Gramm-Schmidt orthogonalization procedure outperforms symmetric and canonical orthogonalization schemes.

  6. Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation)

    Science.gov (United States)

    Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.

    2016-09-01

    Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

  7. Absorption in dielectric models

    CERN Document Server

    Churchill, R J

    2015-01-01

    We develop a classical microscopic model of a dielectric. The model features nonlinear interaction terms between polarizable dipoles and lattice vibrations. The lattice vibrations are found to act as a pseudo-reservoir, giving broadband absorption of electromagnetic radiation without the addition of damping terms in the dynamics. The effective permittivity is calculated using a perturbative iteration method and is found to have the form associated with real dielectrics. Spatial dispersion is naturally included in the model and we also calculate the wavevector dependence of the permittivity.

  8. Vibrational relaxation of hot carriers in C60 molecule

    Science.gov (United States)

    Madjet, Mohamed; Chakraborty, Himadri

    2017-04-01

    Electron-phonon coupling in molecular systems is at the heart of several important physical phenomena, including the mobility of carriers in organic electronic devices. Following the optical absorption, the vibrational relaxation of excited (hot) electrons and holes to the fullerene band-edges driven by electron-phonon coupling, known as the hot carrier thermalization process, is of particular fundamental interest. Using the non-adiabatic molecular dynamical methodology (PYXAID + Quantum Espresso) based on density functional approach, we have performed a simulation of vibrionic relaxations of hot carriers in C60. Time-dependent population decays and transfers in the femtosecond scale from various excited states to the states at the band-edge are calculated to study the details of this relaxation process. This work was supported by the U.S. National Science Foundation.

  9. CEFLES2: the remote sensing component to quantify photosynthetic efficiency from the leaf to the region by measuring sun-induced fluorescence in the oxygen absorption bands

    Directory of Open Access Journals (Sweden)

    S. van der Linden

    2009-07-01

    Full Text Available The CEFLES2 campaign during the Carbo Europe Regional Experiment Strategy was designed to provide simultaneous airborne measurements of solar induced fluorescence and CO2 fluxes. It was combined with extensive ground-based quantification of leaf- and canopy-level processes in support of ESA's Candidate Earth Explorer Mission of the "Fluorescence Explorer" (FLEX. The aim of this campaign was to test if fluorescence signal detected from an airborne platform can be used to improve estimates of plant mediated exchange on the mesoscale. Canopy fluorescence was quantified from four airborne platforms using a combination of novel sensors: (i the prototype airborne sensor AirFLEX quantified fluorescence in the oxygen A and B bands, (ii a hyperspectral spectrometer (ASD measured reflectance along transects during 12 day courses, (iii spatially high resolution georeferenced hyperspectral data cubes containing the whole optical spectrum and the thermal region were gathered with an AHS sensor, and (iv the first employment of the high performance imaging spectrometer HYPER delivered spatially explicit and multi-temporal transects across the whole region. During three measurement periods in April, June and September 2007 structural, functional and radiometric characteristics of more than 20 different vegetation types in the Les Landes region, Southwest France, were extensively characterized on the ground. The campaign concept focussed especially on quantifying plant mediated exchange processes (photosynthetic electron transport, CO2 uptake, evapotranspiration and fluorescence emission. The comparison between passive sun-induced fluorescence and active laser-induced fluorescence was performed on a corn canopy in the daily cycle and under desiccation stress. Both techniques show good agreement in detecting stress induced fluorescence change at the 760 nm band. On the large scale, airborne and ground-level measurements of fluorescence

  10. A mid-infrared absorption diagnostic for acetylene detection

    KAUST Repository

    KC, Utsav

    2015-05-14

    Acetylene is an important combustion intermediate and plays a critical role in soot formation. Accurate measurements of trace concentrations of acetylene can be very useful in validating hydrocarbon oxidation and soot formation mechanisms. Strongest vibrational band of acetylene near 13.7 μm is probed here to develop a highly sensitive absorption diagnostic. Experiments are carried out behind reflected shock waves to measure absorption cross sections of acetylene near 730 cm−1 over a wide range of temperatures (1000–2200 K) and pressures (1–5 bar). The diagnostic is demonstrated by measuring acetylene formation during the shock-heated pyrolysis and oxidation of propene. © 2015 Springer-Verlag Berlin Heidelberg

  11. Rotation-Vibration Constants for the ν 1, ν 22, ν 24, ν 22+ ν 24, and Ground States in Pyrrole ( 12C 4H 5N)

    Science.gov (United States)

    Mellouki, Abdeloihid; Vander Auwera, Jean; Herman, Michel

    1999-01-01

    We have recorded the infrared absorption spectrum of pyrrole at 0.005 cm-1spectral resolution using a Fourier transform interferometer. The rotational analysis of the symmetric out-of-plane C-H bend 2210fundamental band at 722.132993(5) cm-1was performed, allowing 6760 lines to be assigned. These lines were fitted simultaneously to literature data on ν1[A. Mellouki, R. Georges, M. Herman, D. L. Snavely, and S. Leytner,Chem. Phys.220, 311-322 (1997)] and microwave lines [G. Wlodarczak, L. Martinache, J. Demaison, and B. P. Van Eijck,J. Mol. Spectrosc.127, 200-208 (1988)]. A set of rotation parameters was determined for the ground state in Irand IIIrrepresentations, together with vibration-rotation constants for thev1= 1 andv22= 1 vibrational states. The fine structure in the strongest of the hot bands in that range was highlighted by division, from the experimental data, of the spectrum of the 2210band, computed using the vibration-rotation parameters. The rotational assignment of 930 lines in the strongest hot band was performed. The 22102411vibrational assignment is proposed, leading tox22,24= 1.90 cm-1. The transition dipole matrix element for the 2210band is estimated to ‖‖ = 2 × 10-4D.

  12. Rotation-Vibration Constants for the nu1, nu22, nu24, nu22 + nu24, and Ground States in Pyrrole (12C4H5N).

    Science.gov (United States)

    Mellouki; Vander Auwera J; Herman

    1999-01-01

    We have recorded the infrared absorption spectrum of pyrrole at 0.005 cm-1 spectral resolution using a Fourier transform interferometer. The rotational analysis of the symmetric out-of-plane C-H bend 22(1)0 fundamental band at 722.132993(5) cm-1 was performed, allowing 6760 lines to be assigned. These lines were fitted simultaneously to literature data on nu1 [A. Mellouki, R. Georges, M. Herman, D. L. Snavely, and S. Leytner, Chem. Phys. 220, 311-322 (1997)] and microwave lines [G. Wlodarczak, L. Martinache, J. Demaison, and B. P. Van Eijck, J. Mol. Spectrosc. 127, 200-208 (1988)]. A set of rotation parameters was determined for the ground state in Ir and IIIr representations, together with vibration-rotation constants for the v1 = 1 and v22 = 1 vibrational states. The fine structure in the strongest of the hot bands in that range was highlighted by division, from the experimental data, of the spectrum of the 22(1)0 band, computed using the vibration-rotation parameters. The rotational assignment of 930 lines in the strongest hot band was performed. The 22(1)024(1)1 vibrational assignment is proposed, leading to x22,24 = 1.90 cm-1. The transition dipole matrix element for the 22(1)0 band is estimated to || || = 2 x 10(-4) D. Copyright 1999 Academic Press.

  13. Ultrawide band gaps in beams with double-leaf acoustic black hole indentations.

    Science.gov (United States)

    Tang, Liling; Cheng, Li

    2017-11-01

    Band gaps in conventional phononic crystals (PCs) are attractive for applications such as vibration control, wave manipulation, and sound absorption. Their practical implementations, however, are hampered by several factors, among which the large number of cells required and their impractically large size to ensure the stopbands at reasonably low frequencies are on the top of the list. This paper reports a type of beam carved inside with two double-leaf acoustic black hole indentations. By incorporating the local resonance effect and the Bragg scattering effect generated by a strengthening stud connecting the two branches of the indentations, ultrawide band gaps are achieved. Increasing the length of the stud or reducing the residual thickness of the indentation allows the tuning of the band gaps to significantly enlarge the band gaps, which can exceed 90% of the entire frequency range of interest. Experimental results show that with only three cells, the proposed beam allows considerable vibration energy attenuation within an ultra-broad frequency range including the low frequency range, which conventional PCs can hardly reach. Meanwhile, the proposed configuration also enhances the structural integrity, thus pointing at promising applications in vibration control and a high performance wave filter design.

  14. Variable frequency harmonic vibration suppression using active vibration absorption

    Directory of Open Access Journals (Sweden)

    Francisco Beltrán-Carbajal

    2014-01-01

    Full Text Available Los absorbedores dinámicos pasivos de vibraciones se han utilizado ampliamente para atenuación de vibraciones dañinas en muchos sistemas de ingeniería prácticos. La aplicabilidad de estos dispositivos de absorción pasiva de vibraciones se limita a un ancho de banda angosto y especifico de frecuencias de operación. En este artículo se propone un nuevo esquema de absorción activa de vibraciones que permite extender la capacidad de supresión de vibraciones de un absorbedor masa-resorte-amortiguador pasivo para cualquier frecuencia de excitación, incluyendo fuerzas de perturbación armónica resonantes de interés. Los fundamentos centrales de un absorbedor pasivo se explotan en la etapa de diseño del esquema de absorción propuesto. Así, el dispositivo de absorción activa aplica fuerzas sobre el sistema mecánico primario que contrarrestan las fuerzas de perturbación desconocidas, conservando la propiedad de atenuación de vibraciones del absorbedor pasivo. La fuerza de perturbación se estima en línea usando un observador de estado extendido propuesto en este trabajo. Se incluyen resultados en simulación para mostrar la eficiencia del esquema de absorción activa de vibraciones para rechazar vibraciones forzadas resonantes y caóticas completamente desconocidas afectando el sistema mecánico primario, y para probar la efectividad de la estimación de fuerzas de perturbación exógenas.

  15. Absorption of Stationary Elastic Vibrations ili Rocks

    Directory of Open Access Journals (Sweden)

    e. v. Karus

    1958-06-01

    Full Text Available Il carattere di divergenze e d'assorbimentodelle onde sismiche è stato investigato medianteil metodo sismo-acustico basato sullemisurazioni di ampiezze e fasi delle oscillazioniquali sono eccitate nelle roccia da unasorgente d'oscillazioni armoniche stazionarie.I risultati d'investigazione sperimentalemediante il m. s.-a. d'assorbimento della rocciapermettono di differenziare le roccie diversesecondo i parametri d'assorbimento. L'assorbimentomassimo è proprio di roccia sedimentariail minimo di roccia d'eruzione edi roccia sottoposta a un metamorfismo.La proporzionalità inversa è stata osservatatra la velocità delle onde elastiche e ladiminuzione d'assorbimento per i tipi diversidi roccia. È dimostrato che il coefficiente d'assorbimentoè aumentato linearmente con lafrequenza. È osservato il fenomeno della dispersioneanomala della velocità di fase.I dati sperimentali ottenuti confermano leconclusioni della teoria basata sul fenomenod'elasticità in seguito a quella svolta daB. V. Derjagin.

  16. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering

    2003-12-01

    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  17. Broadband Vibration Attenuation Using Hybrid Periodic Rods

    Directory of Open Access Journals (Sweden)

    S. Asiri

    2008-12-01

    Full Text Available This paper presents both theoretically and experimentally a new kind of a broadband vibration isolator. It is a table-like system formed by four parallel hybrid periodic rods connected between two plates. The rods consist of an assembly of periodic cells, each cell being composed of a short rod and piezoelectric inserts. By actively controlling the piezoelectric elements, it is shown that the periodic rods can efficiently attenuate the propagation of vibration from the upper plate to the lower one within critical frequency bands and consequently minimize the effects of transmission of undesirable vibration and sound radiation. In such a system, longitudinal waves can propagate from the vibration source in the upper plate to the lower one along the rods only within specific frequency bands called the "Pass Bands" and wave propagation is efficiently attenuated within other frequency bands called the "Stop Bands". The spectral width of these bands can be tuned according to the nature of the external excitation. The theory governing the operation of this class of vibration isolator is presented and their tunable filtering characteristics are demonstrated experimentally as functions of their design parameters. This concept can be employed in many applications to control the wave propagation and the force transmission of longitudinal vibrations both in the spectral and spatial domains in an attempt to stop/attenuate the propagation of undesirable disturbances.

  18. Multiple Rabi Splittings under Ultrastrong Vibrational Coupling.

    Science.gov (United States)

    George, Jino; Chervy, Thibault; Shalabney, Atef; Devaux, Eloïse; Hiura, Hidefumi; Genet, Cyriaque; Ebbesen, Thomas W

    2016-10-07

    From the high vibrational dipolar strength offered by molecular liquids, we demonstrate that a molecular vibration can be ultrastrongly coupled to multiple IR cavity modes, with Rabi splittings reaching 24% of the vibration frequencies. As a proof of the ultrastrong coupling regime, our experimental data unambiguously reveal the contributions to the polaritonic dynamics coming from the antiresonant terms in the interaction energy and from the dipolar self-energy of the molecular vibrations themselves. In particular, we measure the opening of a genuine vibrational polaritonic band gap of ca. 60 meV. We also demonstrate that the multimode splitting effect defines a whole vibrational ladder of heavy polaritonic states perfectly resolved. These findings reveal the broad possibilities in the vibrational ultrastrong coupling regime which impact both the optical and the molecular properties of such coupled systems, in particular, in the context of mode-selective chemistry.

  19. Thermal, vibrational spectra and photoluminescence properties of the nonlinear optical material MnTeMoO6

    Science.gov (United States)

    Jin, Chengguo; Shao, Juxiang; Li, Zhen; Yang, Junsheng; Cao, Qilong; Huang, Duohui; Wan, Mingjie; Wang, Fanhou

    2015-04-01

    MnTeMoO6 is a novel nonlinear optical material in near-mid-IR region. Vibrational spectra characterization, thermal and photoluminescent properties of polycrystalline MnTeMoO6 have been investigated in this work. The results show that polycrystalline MnTeMoO6 has a relatively high melting point at 725.2 °C and exhibits superheating of crystal. The observed Raman and IR bands of MnTeMoO6 are assigned to vibrations of the Mn-O bonds, MoO4 tetrahedra, and TeO4 polyhedra. Photoluminescence measurements show that MnTeMoO6 displays a strong emission peak at 467 nm under excitation at 280 nm, and the absorption band at 0.47-0.52 μm in UV-vis spectra may be caused by photoluminescence.

  20. Shock tube study on the thermal decomposition of fluoroethane using infrared laser absorption detection of hydrogen fluoride.

    Science.gov (United States)

    Matsugi, Akira; Shiina, Hiroumi

    2014-08-28

    Motivated by recent shock tube studies on the thermal unimolecular decomposition of fluoroethanes, in which unusual trends have been reported for collisional energy-transfer parameters, the rate constants for the thermal decomposition of fluoroethane were investigated using a shock tube/laser absorption spectroscopy technique. The rate constants were measured behind reflected shock waves by monitoring the formation of HF by IR absorption at the R(1) transition in the fundamental vibrational band near 2476 nm using a distributed-feedback diode laser. The peak absorption cross sections of this absorption line have also been determined and parametrized using the Rautian-Sobel'man line shape function. The rate constant measurements covered a wide temperature range of 1018-1710 K at pressures from 100 to 290 kPa, and the derived rate constants were successfully reproduced by the master equation calculation with an average downward energy transfer, ⟨ΔEdown⟩, of 400 cm(-1).

  1. Vibrational Diver

    Science.gov (United States)

    Kozlov, Victor; Ivanova, Alevtina; Schipitsyn, Vitalii; Stambouli, Moncef

    2014-10-01

    The paper is concerned with dynamics of light solid in cavity with liquid subjected to rotational vibration in the external force field. New vibrational phenomenon - diving of a light cylinder to the cavity bottom is found. The experimental investigation of a horizontal annulus with a partition has shown that under vibration a light body situated in the upper part of the layer is displaced in a threshold manner some distance away from the boundary. In this case the body executes symmetric tangential oscillations. An increase of the vibration intensity leads to a tangential displacement of the body near the external boundary. This displacement is caused by the tangential component of the vibrational lift force, which appears as soon as the oscillations lose symmetry. In this case the trajectory of the body oscillatory motion has the form of a loop. The tangential lift force makes stable the position of the body on the inclined section of the layer and even in its lower part. A theoretical interpretation has been proposed, which explains stabilization of a quasi-equilibrium state of a light body near the cavity bottom in the framework of vibrational hydromechanics.

  2. Good vibrations. [Hydraulic turbines

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, P.

    1994-07-01

    The latest developments in the Voith Turbine Control and Automation System (VTLS), which couples digital control technology to hydropower plant equipment, are described. Prominent among these is the vibration diagnostics module for hydraulic turbines. It provides machine-specific diagnostic logic for a vibration monitoring and analysis system. Of the two other VTLS modules described, the operation module optimizes the control of a power plant with three or more turbines by considering the individual properties of each in turn, recommending which should be run, and how, in order to partition the load for a required power output. The cavitation module is a diagnostic system which enables the limits of operation of the turbines to be extended to bands just outside those determined by cavitation calculations. (3 figures). (UK)

  3. Grain size dependent optical band gap of CdI2 films

    Indian Academy of Sciences (India)

    Unknown

    direct band gap in conformity with band structure calcula- tions. However, a smaller indirect band gap can also be determined from part of absorption data near the band edge for the purpose of comparison with earlier analyses of absorption data as well as the band structure calcula- tions. The decreasing band gap with film ...

  4. Vibrational overtone spectrum of matrix isolated cis, cis-HOONO

    Science.gov (United States)

    Zhang, Xu; Nimlos, Mark R.; Ellison, G. Barney; Varner, Mychel E.; Stanton, John F.

    2007-05-01

    Cis, cis-peroxynitrous acid is known to be an intermediate in atmospheric reactions between OH and NO2 as well as HOO and NO. The infrared absorption spectra of matrix-isolated cc-HOONO and cc-DOONO in argon have been observed in the range of 500-8000cm-1. Besides the seven fundamental vibrational modes that have been assigned earlier for this molecule [Zhang et al., J. Chem. Phys. 124, 084305 (2006)], more than 50 of the overtone and combination bands have been observed for cc-HOONO and cc-DOONO. Ab initio CCSD(T)/atomic natural orbital anharmonic force field calculations were used to help guide the assignments. Based on this study of the vibrational overtone transitions of cis, cis-HOONO that go as high as 8000cm-1 and the earlier paper on the vibrational fundamentals, we conclude that the CCSD(T)/ANO anharmonic frequencies seem to correct to ±35cm-1. The success of the theoretically predicted anharmonic frequencies {υ } in assigning overtone spectra of HOONO up to 8000cm-1 suggests that the CCSD(T)/ANO method is producing a reliable potential energy surface for this reactive molecule.

  5. Contribution to the study and to the development of continuous infrared absorption analyzers; Contribution a l'etude et a la mise au point des analyseurs en continu par absorption infrarouge

    Energy Technology Data Exchange (ETDEWEB)

    Coste, A. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-12-01

    The continuous infra-red absorption determination of corrosive gases implies the construction of an original single-beam spectrometer. The use of a vibration-rotation line means that the apparatus function has to undergo an alternating displacement: for one position this function is centered on the line, for other position it is placed close by, but away from any absorption. A non-linear relationship is derived between the concentration of the impurity under consideration, the optical density measured at the centre of the line and the total pressure of the gas mixture. The problem is then solved using an associated specific analog computer. The system is applicable to the determination of low concentrations. The principle proposed in then adapted to an analysis using a non-resolved vibration-rotation band. (authors) [French] Le dosage en continu par absorption infrarouge des gaz corrosifs, implique la construction d'un spectrometre original en simple faisceau. L'utilisation d'une raie de vibration - rotation, conduit a effectuer un deplacement alternatif de la fonction d'appareil: pour une position, celle-ci est centree sur la raie, pour l'autre position elle est placee a proximite mais en dehors de toute absorption. On etablit une relation non lineaire entre la concentration de l'impurete consideree, la densite optique mesuree au centre de la raie et la pression totale du melange gazeux. Le probleme est alors resolu par un calculateur analogique specifique associe. Le systeme s'applique au dosage des faibles concentrations. Le principe propose est ensuite adapte a l'analyse a partir d'une bande de vibration - rotation non resolue. (auteurs)

  6. Dual band metamaterial perfect absorber based on artificial dielectric "molecules".

    Science.gov (United States)

    Liu, Xiaoming; Lan, Chuwen; Li, Bo; Zhao, Qian; Zhou, Ji

    2016-07-13

    Dual band metamaterial perfect absorbers with two absorption bands are highly desirable because of their potential application areas such as detectors, transceiver system, and spectroscopic imagers. However, most of these dual band metamaterial absorbers proposed were based on resonances of metal patterns. Here, we numerically and experimentally demonstrate a dual band metamaterial perfect absorber composed of artificial dielectric "molecules" with high symmetry. The artificial dielectric "molecule" consists of four "atoms" of two different sizes corresponding to two absorption bands with near unity absorptivity. Numerical and experimental absorptivity verify that the dual-band metamaterial absorber is polarization insensitive and can operate in wide-angle incidence.

  7. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions

    DEFF Research Database (Denmark)

    Johannessen, Christian; Thulstrup, Peter W.

    2007-01-01

    Vibrational absorption (VA) and vibrational circular dichroism (VCD) spectroscopy was applied in the analysis of vibrational and low lying electronic transitions of a triplet ground state cobalt(III) coordination compound. The spectroscopic measurements were performed on the tetrabutylammonium salt...

  8. Application of mid-infrared free-electron laser tuned to amide bands for dissociation of aggregate structure of protein.

    Science.gov (United States)

    Kawasaki, Takayasu; Yaji, Toyonari; Ohta, Toshiaki; Tsukiyama, Koichi

    2016-01-01

    A mid-infrared free-electron laser (FEL) is a linearly polarized, high-peak powered pulse laser with tunable wavelength within the mid-infrared absorption region. It was recently found that pathogenic amyloid fibrils could be partially dissociated to the monomer form by the irradiation of the FEL targeting the amide I band (C=O stretching vibration), amide II band (N-H bending vibration) and amide III band (C-N stretching vibration). In this study, the irradiation effect of the FEL on keratin aggregate was tested as another model to demonstrate an applicability of the FEL for dissociation of protein aggregates. Synchrotron radiation infrared microscopy analysis showed that the α-helix content in the aggregate structure decreased to almost the same level as that in the monomer state after FEL irradiation tuned to 6.06 µm (amide I band). Both irradiations at 6.51 µm (amide II band) and 8.06 µm (amide III band) also decreased the content of the aggregate but to a lesser extent than for the irradiation at the amide I band. On the contrary, the irradiation tuned to 5.6 µm (non-absorbance region) changed little the secondary structure of the aggregate. Scanning-electron microscopy observation at the submicrometer order showed that the angular solid of the aggregate was converted to non-ordered fragments by the irradiation at each amide band, while the aggregate was hardly deformed by the irradiation at 5.6 µm. These results demonstrate that the amide-specific irradiation by the FEL was effective for dissociation of the protein aggregate to the monomer form.

  9. Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

    DEFF Research Database (Denmark)

    Schrøder, Sidsel Dahl

    and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......, weak intramolecular hydrogen bonds in methyl lactate, allyl carbinol and methallyl carbinol have been identified and characterized. The effect of substitution of two hydrogen atoms on one of the methylene groups with either methyl groups or tri uoromethyl groups on the intramolecular...

  10. The Fourier transform absorption spectrum of acetylene between 8280 and 8700 cm-1

    Science.gov (United States)

    Lyulin, O. M.; Vander Auwera, J.; Campargue, A.

    2016-07-01

    High resolution (0.011 cm-1) room temperature (295 K) Fourier transform absorption spectra (FTS) of acetylene have been analyzed in the 8280-8700 cm-1 range dominated by the ν1+ν2+ν3 band at 8512 cm-1. Line positions and intensities were retrieved from FTS spectra recorded at 3.84 and 56.6 hPa. As a result, a list of 1001 lines was constructed with intensities ranging between about 2×10-26 and 10-22 cm/molecule. Comparison with accurate predictions provided by a global effective operator model led to the assignment of 629 12C2H2 lines. In addition, 114 lines of the 13C12CH2 isotopologue were assigned using information available in the literature. The 12C2H2 lines belong to thirteen bands, nine of which being newly reported. The 13C12CH2 lines belong to three bands, the intensities of which being reported for the first time. Spectroscopic parameters of the 12C2H2 upper vibrational levels were derived from band-by-band analyses of the line positions (typical rms are on the order of 0.002 cm-1). Three of the analyzed bands were found to be affected by rovibrational perturbations, which are discussed in the frame of a global effective Hamiltonian. The obtained line parameters are compared with those of the two bands included in the HITRAN 2012 database.

  11. Vibrating minds

    CERN Document Server

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  12. A dual band terahertz metamaterial absorber

    Energy Technology Data Exchange (ETDEWEB)

    Tao Hu; Fan Kebin; Zhang Xin [Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Bingham, C M; Shrekenhamer, D; Padilla, W J [Department of Physics, Boston College, Chestnut Hill, MA 02467 (United States); Pilon, D; Strikwerda, A C; Averitt, R D, E-mail: xinz@bu.ed, E-mail: raveritt@physics.bu.ed [Department of Physics, Boston University, Boston, MA 02215 (United States)

    2010-06-09

    We present the design, fabrication and characterization of a dual band metamaterial absorber which experimentally shows two distinct absorption peaks of 0.85 at 1.4 THz and 0.94 at 3.0 THz. The dual band absorber consists of a dual band electric-field-coupled (ELC) resonator and a metallic ground plane, separated by an 8 {mu}m dielectric spacer. Fine tuning of the two absorption resonances is achieved by individually adjusting each ELC resonator geometry.

  13. High-sensitivity CRDS absorption spectroscopy of acetylene between 5851 and 6341 cm-1

    Science.gov (United States)

    Lyulin, O. M.; Mondelain, D.; Béguier, S.; Kassi, S.; Vander Auwera, J.; Campargue, A.

    2014-09-01

    The absorption spectrum of acetylene has been recorded at room temperature (297 K) using high-sensitivity cavity ring-down spectroscopy (αmin ∼ 5×10-11 cm-1) in the 5851 and 6341 cm-1 interval corresponding to a region of very weak absorption. A list of about 10,700 absorption features with estimated absolute line intensities was constructed. The smallest intensities are of the order of 5×10-29 cm molecule-1. The line list includes about 2500 absorption lines of ethylene present at the ppm level in the acetylene sample and identified on the basis of a high-resolution Fourier transform spectrum specifically recorded. A total of more than 2700 lines of 12C2H2 were rovibrationally assigned in comparison with accurate predictions provided by a global effective operator model. Overall, the present effort adds about 2260 new assignments to the set of about 500 assigned transitions available in the literature. The new assignments correspond to 45 new bands and 17 already-known bands, for which additional J lines were assigned. Spectroscopic parameters were derived for the upper vibrational levels from a band by band fit of the line positions (typical root mean square deviation values are of the order of 0.001 cm-1). A few of the analysed bands were found to be affected by rovibrational perturbations, which are discussed. The new data will be valuable to refine the parameters of the global effective Hamiltonian and dipole moments of 12C2H2.

  14. An effective way to reduce water absorption to terahertz

    Science.gov (United States)

    Wu, Yaxiong; Su, Bo; He, Jingsuo; Zhang, Cong; Zhang, Hongfei; Zhang, Shengbo; Zhang, Cunlin

    2018-01-01

    Since many vibrations and rotational levels of biomolecules fall within the THz band, THz spectroscopy can be used to identify biological samples. In addition, most biomolecules need to maintain their biological activity in a liquid environment, but water as polar substance has strong absorption to the THz wave. Thus, it is difficult to detect the sample information in aqueous solution using THz wave. In order to prevent the information of biological samples were masked in the solution, many research methods were used to explore how to reduce the water absorption of terahertz. In this paper, we have developed a real-time chemical methodology through transmission Terahertz time-domain spectroscopy (THz-TDS) system. The material of Zeonor 1020r is used as substrate and cover plate, and PDMS as channel interlayer. The transmission of the empty microfluidic chip is more than 80% in the range of 0.2-2.6 THz by THz-TDS system. Then, experiments were carried out using chips, which were filled with different volumes of 1, 2- propanediol, and it has been proved that the microfluidic chip could reduce the water absorption of terahertz. Finally, in order to further explore the reduction of terahertz to water absorption, we inject different concentrations of electrolyte to the chip. The results show that with the addition of different electrolytes, terahertz transmission line has evident changes. It can be taken into account that the electrolyte has different effects about the hydrogen bonds in the aqueous solution. Some of them can promote water molecules clusters, while others destroy them. Based on the basis of microfluidic chip, the discovery of this phenomenon can provide a way that reduces water absorption of terahertz. This work has laid a solid foundation for the subsequent study in reducing water absorption of terahertz.

  15. Investigation on a mechanical vibration absorber with tunable piecewise-linear stiffness

    Science.gov (United States)

    Shui, Xin; Wang, Shimin

    2018-02-01

    The design and characterization of a mechanical vibration absorber are addressed. A distinctive feature of the absorber is its tunable piecewise-linear stiffness, which is realized by means of a slider with two stop-blocks installed constraining the bilateral deflections of the elastic support. A new analytical approach named as the equivalent stiffness technique (EST) is introduced and then employed to obtain the analytical relations of the frequency, amplitude and phase with a view to exhibit a more comprehensive characterization of the absorber. Experiments are conducted to demonstrate the feasibility of the design. The experimental data show good agreement with the analytical results. The final results indicate that the tunable stiffness absorber (TSA) possesses a typical nonlinear characteristic at each given position of the slider, and its stiffness can be tuned in real time over a wide range by adjusting the slider position. Hence the TSA has a large optimum vibration-absorption range together with a wide suppression band around each optimal position, which contributes to its excellent capacity of vibration absorption.

  16. Observational Evidence Linking Interstellar UV Absorption to PAH Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Blasberger, Avi; Behar, Ehud; Perets, Hagai B. [Department of Physics, Technion (Israel); Brosch, Noah [The Wise Observatory and School of Physics and Astronomy, Tel Aviv University (Israel); Tielens, Alexander G. G. M. [Leiden Observatory, Leiden University (Netherlands)

    2017-02-20

    The 2175 Å UV extinction feature was discovered in the mid-1960s, yet its physical origin remains poorly understood. One suggestion is absorption by polycyclic aromatic hydrocarbon (PAH) molecules, which is supported by theoretical molecular structure computations and by laboratory experiments. PAHs are positively detected by their 3.3, 6.2, 7.7, 8.6, 11.3, and 12.7 μ m IR emission bands, which are specified by their modes of vibration. A definitive empirical link between the 2175 Å UV extinction and the IR PAH emission bands, however, is still missing. We present a new sample of hot stars that have both 2175 Å absorption and IR PAH emission. We find significant shifts of the central wavelength of the UV absorption feature, up to 2350 Å, but predominantly in stars that also have IR PAH emission. These UV shifts depend on stellar temperature in a fashion that is similar to the shifts of the 6.2 and 7.7 μ m IR PAH bands, that is, the features are increasingly more redshifted as the stellar temperature decreases, but only below ∼15 kK. Above 15 kK both UV and IR features retain their nominal values. Moreover, we find a suggestive correlation between the UV and IR shifts. We hypothesize that these similar dependences of both the UV and IR features on stellar temperature hint at a common origin of the two in PAH molecules and may establish the missing link between the UV and IR observations. We further suggest that the shifts depend on molecular size, and that the critical temperature of ∼15 kK above which no shifts are observed is related to the onset of UV-driven hot-star winds and their associated shocks.

  17. Structural stability, vibrational, and bonding properties of potassium 1, 1'-dinitroamino-5, 5'-bistetrazolate: An emerging green primary explosive

    Science.gov (United States)

    Yedukondalu, N.; Vaitheeswaran, G.

    2015-08-01

    Potassium 1,1'-dinitroamino-5,5'-bistetrazolate (K2DNABT) is a nitrogen rich (50.3% by weight, K2C2N12O4) green primary explosive with high performance characteristics, namely, velocity of detonation (D = 8.33 km/s), detonation pressure (P = 31.7 GPa), and fast initiating power to replace existing toxic primaries. In the present work, we report density functional theory (DFT) calculations on structural, equation of state, vibrational spectra, electronic structure, and absorption spectra of K2DNABT. We have discussed the influence of weak dispersive interactions on structural and vibrational properties through the DFT-D2 method. We find anisotropic compressibility behavior (btoxic lead azide and harder than the most sensitive cyanuric triazide. A complete assignment of all the vibrational modes has been made and compared with the available experimental results. The calculated zone center IR and Raman frequencies show a blue-shift which leads to a hardening of the lattice upon compression. In addition, we have also calculated the electronic structure and absorption spectra using recently developed Tran Blaha-modified Becke Johnson potential. It is found that K2DNABT is a direct band gap insulator with a band gap of 3.87 eV and the top of the valence band is mainly dominated by 2p-states of oxygen and nitrogen atoms. K2DNABT exhibits mixed ionic (between potassium and tetrazolate ions) and covalent character within tetrazolate molecule. The presence of ionic bonding suggests that the investigated compound is relatively stable and insensitive than covalent primaries. From the calculated absorption spectra, the material is found to decompose under ultra-violet light irradiation.

  18. Experimental and theoretical model of reactivity and vibrational detection modes of triacetone triperoxide (TATP) and homologues

    Science.gov (United States)

    Pacheco-Londono, Leonardo C.; Primera-Pedrozo, Oliva M.; Hernandez-Rivera, Samuel P.

    2004-12-01

    Fully optimized molecular geometry, parameters of reactivity and vibrational spectra of triacetone triperoxide (TATP) and homologue organic peroxides were calculated using B3LYP/6-31G(d,p) method within the Density Functional Theory formalism. Infrared and Raman Spectroscopy were utilized to obtain vibrational spectra of the energetic compound. The model consists in the relation found between the Raman Shift location of the important symmetric stretch ν(O-O) of the organic peroxides and the reactivity of the organic peroxides. A good correlation between the band location in the series studied and the x-y plane polarizability component and the ionization energy was found. Gas phase IR absorption of TATP in air was used for developing stand-off detection schemes of the important organic peroxide in air. The sublimation properties of TATP were measured using two methods: Grazing Angle Probe-Fiber Coupled FTIR and gravimetric on stainless steel surfaces. Sublimation rates, loading concentration values and absorbance band areas were measured and modeled using the persistent IR vibrational signature of the ν(C-O) mode.

  19. The photodissociation and reaction dynamics of vibrationally excited molecules

    Energy Technology Data Exchange (ETDEWEB)

    Crim, F.F. [Univ. of Wisconsin, Madison (United States)

    1993-12-01

    This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

  20. First analysis of the 2ν1 + 3ν3 band of NO2 at 7192.159 cm-1

    Science.gov (United States)

    Raghunandan, R.; Perrin, A.; Ruth, A. A.; Orphal, J.

    2014-03-01

    The first investigation of the very weak 2ν1 + 3ν3 absorption band of nitrogen dioxide, 14N16O2, located at 7192.1587(1) cm-1 was performed using Fourier-transform incoherent broadband cavity-enhanced absorption spectroscopy (FT-IBBCEAS) in the 7080-7210 cm-1 spectral range. The assigned 2ν1 + 3ν3 lines involve energy levels of the (2 0 3) vibrational state with rotational quantum numbers up to Ka = 7 and N = 47. Furthermore, due to local resonances involving energy levels from the (2,2,2)⇔(2,0,3) and (5,1,0)⇔(2,0,3) states, several transitions were also observed for the 2ν1 + 2ν2 + 2ν3 and 5ν1 + ν3 dark bands, respectively. The energy levels were satisfactorily reproduced within their experimental uncertainty using a theoretical model which takes explicitly into account the Coriolis interactions between the levels of the (2, 0, 3) vibrational state and those of (2, 2, 2) and of (5, 1, 0). As a consequence, precise vibrational energies, rotational, and coupling constants were achieved for the triad {(5, 0, 1), (2, 2, 2), (2, 0, 3)} of interacting states of 14N16O2. This theoretical model also accounts for the electron spin-rotation resonances within the (2, 0, 3), (2, 2, 2) and (5, 1, 0) vibrational states. However, owing to the limited experimental resolution (˜0.075 cm-1), it was not possible to observe the spin-rotation doublet structure. As a consequence, the spin-rotation constants in the {(2, 2, 2), (2, 0, 3), (5, 1, 0)} excited states were maintained fixed to their ground state values in this study. Using these parameters a comprehensive list of line positions and line intensities was generated for the 2ν1 + 3ν3 band of NO2.

  1. Vibration mode shape control by prestressing

    Science.gov (United States)

    Holnicki-Szulc, Jan; Haftka, Raphael T.

    1992-01-01

    A procedure is described for reducing vibration at sensitive locations on a structure, by induced distortions. The emphasis is placed on the excitation in a narrow frequency band, so that only a small number of vibration modes contribute to the intensity of the forced response. The procedure is demonstrated on an antenna truss example, showing that, with repeated frequencies, it is very easy to move nodal lines of one of the modes.

  2. Vibrational Cooling in A Cold Ion Trap: Vibrationally Resolved Photoelectron Spectroscopy of Cold C60- Anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue B.; Woo, Hin-koon; Wang, Lai S.

    2005-08-01

    We demonstrate vibrational cooling of anions via collisions with a background gas in an ion trap attached to a cryogenically controlled cold head (10 ? 400 K). Photoelectron spectra of vibrationally cold C60- anions, produced by electrospray ionization and cooled in the cold ion trap, have been obtained. Relative to spectra taken at room temperature, vibrational hot bands are completely eliminated, yielding well resolved vibrational structures and a more accurate electron affinity for neutral C60. The electron affinity of C60 is measured to be 2.683 ? 0.008 eV. The cold spectra reveal complicated vibrational structures for the transition to the C60 ground state due to the Jahn-Teller effect in the ground state of C60-. Vibrational excitations in the two Ag modes and eight Hg modes are observed, providing ideal data to assess the vibronic couplings in C60-.

  3. Preparation and high-performance microwave absorption of hierarchical dendrite-like Co superstructures self-assembly of nanoflakes

    Science.gov (United States)

    Yu, Miao; Wang, Lirui; Yang, Pingan; Fu, Jie

    2017-12-01

    Dendritic-like Co superstructures based on the self-assembly of nanoflakes that could efficiently suppress the eddy current were successfully synthesized via a facile, rapid, and energy-saving chemical reduction method. Since crystal structure, size, and special geometrical morphology, magnetism have a vital influence on microwave absorption properties, the as-obtained products were characterized by x-ray diffraction, scanning electron microscopy, vibrating sample magnetometry, and vector network analysis. The prepared dendritic Co possesses abundant secondary branches that extend to the 3D space. Their dimensions, spacing, sheet-like blocks, and high-ordering microstructures all contribute to the penetration, scattering, and attenuation of EM waves. The composites present attractive microwave absorption performances in the X band, as well as in the whole S band (2–4 GHz). This work investigates the mechanism of absorption for the as-obtained Co, offers a promising strategy for the fabrication of hierarchical Co microstructure assemblies by multi-leaf flakes and introduces the application of dendritic-like Co as a highly efficient absorber in the S band and X band.

  4. Experimental determination of the absolute infrared absorption intensities of formyl radical HCO.

    Science.gov (United States)

    Ryazantsev, Sergey V; Tyurin, Daniil A; Feldman, Vladimir I

    2017-12-05

    Formyl radical HCO is an important reactive intermediate in combustion, atmospheric and extraterrestrial chemistry. Like in the case of other transients, the lack of knowledge of the absolute IR intensities limits the quantitative spectroscopic studies on this species. We report the first experimental determination of the absorption intensities for the fundamental vibrational bands of HCO. The measurements have been performed using matrix-isolation FTIR spectroscopy. Determination of the values was based on the repeated photodissociation and thermal recovery of the HCO radical using the known value of the absorption coefficient of CO. The experimentally determined values (93.2±6.0, 67.2±4.5, and 109.2±6.6kmmol(-1) for the ν1, ν2, and ν3 modes, respectively) have been compared to the calculated IR intensities obtained by DFT and UCCSD(T) computations. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

      lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  6. Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

    OpenAIRE

    Veronica Vaida; Karl J. Feierabend; Nabilah Rontu; Kaito Takahashi

    2008-01-01

    Atmospheric chemical reactions are often initiated by ultraviolet (UV) solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical re...

  7. Displacement of polarons by vibrational modes in doped conjugated polymers

    Science.gov (United States)

    Anderson, M.; Ramanan, C.; Fontanesi, C.; Frick, A.; Surana, S.; Cheyns, D.; Furno, M.; Keller, T.; Allard, S.; Scherf, U.; Beljonne, D.; D'Avino, G.; von Hauff, E.; Da Como, E.

    2017-10-01

    Organic pi-conjugated polymers are deemed to be soft materials with strong electron-phonon coupling, which results in the formation of polarons, i.e., charge carriers dressed by self-localized distortion of the nuclei. Universal signatures for polarons are optical resonances below the band gap and intense vibrational modes (IVMs), both found in the infrared (IR) spectral region. Here, we study p -doped conjugated homo- and copolymers by combining first-principles modelling and optical spectroscopy from the far-IR to the visible. Polaronic IVMs are found to feature absorption intensities comparable to purely electronic transitions and, most remarkably, show only loose resemblance to the Raman or IR-active modes of the neutral polymer. The IVM frequency is dramatically scaled down (up to 50%) compared to the backbone carbon-stretching modes in the pristine polymers. The very large intensity of IVMs is associated with displacement of the excess positive charge along the backbone driven by specific vibrational modes. We propose a quantitative picture for the identification of these polaron shifting modes that solely based on structural information, directly correlates with their IR intensity. This finding finally discloses the elusive microscopic mechanism behind the huge IR intensity of IVMs in doped polymeric semiconductors.

  8. High-resolution infrared spectrum of triacetylene: The ν5 state revisited and new vibrational states

    Science.gov (United States)

    Doney, K. D.; Zhao, D.; Linnartz, H.

    2015-10-01

    New data are presented that follow from a high-resolution survey, from 3302 to 3352 cm-1, through expanding acetylene plasma, and covering the Csbnd H asymmetric (ν5) fundamental band of triacetylene (HC6H). Absorption signals are recorded using continuous wave cavity ring-down spectroscopy (cw-CRDS). A detailed analysis of the resulting spectra allows revisiting the molecular parameters of the ν5 fundamental band in terms of interactions with a perturbing state, which is observed for the first time. Moreover, four fully resolved hot bands (501 1011, 501 1111, 501 1311, and 101 801 1110), with band origins at 3328.5829(2), 3328.9994(2), 3328.2137(2) and 3310.8104(2) cm-1, respectively, are reported for the first time. These involve low lying bending vibrations that have been studied previously, which guarantees unambiguous identifications. Combining available data allows to derive accurate molecular parameters, both for the ground state as well as the excited states involved in the bands.

  9. Improvement of the vibration isolation system for TAMA300

    CERN Document Server

    Takahashi, R

    2002-01-01

    The vibration isolation system for TAMA300 has a vibration isolation ratio large enough to achieve the requirement in the observation band around 300 Hz. At a lower frequency range, it is necessary to reduce the large fluctuation of mirrors for stable operation of the interferometer. With this aim, the mirror suspension systems were modified and an active vibration isolation system using pneumatic actuators was installed. These improvements contributed to the realization of a continuous interferometer lock for more than 24 h.

  10. Simultaneous photon absorption as a probe of molecular interaction and hydrogen-bond cooperativity in liquids.

    Science.gov (United States)

    Woutersen, Sander

    2007-10-21

    We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two absorbing modes. This frequency shift arises from interaction between the modes, and its value has been used to determine the average coupling between neighboring methanol molecules. We find a rms coupling strength of 46+/-1 cm(-1), larger than can be explained from a transition-dipole coupling mechanism, suggesting that hydrogen-bond mediated interactions also contribute to the coupling. The most important aspect of simultaneous vibrational absorption is that it allows for a quantitative investigation of hydrogen-bond cooperativity. We derive the extent to which the hydrogen-bond strengths of neighboring molecules are correlated by comparing the line shape of the absorption band caused by simultaneous absorption with that of the fundamental transition. Surprisingly, neighboring hydrogen bonds in methanol are found to be strongly correlated, and from the data we obtain an estimate for the hydrogen-bond correlation coefficient of 0.69+/-0.12.

  11. Band Saw Blade Crack before and after Comparison and Analysis of Experiments (2

    Directory of Open Access Journals (Sweden)

    Gao Jin-gui

    2016-01-01

    Full Text Available Based on MJ3310 woodworking band saw machine as the research object, under the no-load and load of Vib system vibration signal acquisition, processing and analysis software of band saw blade transverse vibration test and the signal acquisition and analysis of the collected signals obtained: to determine the transverse vibration displacement 5.66μm ~ 7.86μm and the main vibration frequency between 624 Hz ~ 792 Hz, then saw blade crack at least 3 mm, need timely saw blade, cutting high hardness of wood band saw blade transverse vibration displacement and frequency will increase sharply. Can be generated according to the band saw blade crack before and after the changing rule of the horizontal vibration displacement and frequency of transverse vibration and scope, judgment and replacement time of saw blade saw blade defect types, which can fully rational utilization of saw blade work effectively.

  12. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

    This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...

  13. YIG based broad band microwave absorber: A perspective on synthesis methods

    Science.gov (United States)

    Sharma, Vinay; Saha, J.; Patnaik, S.; Kuanr, Bijoy K.

    2017-10-01

    The fabrication of a thin layer of microwave absorber that operates over a wide band of frequencies is still a challenging task. With recent advances in nanostructure synthesis techniques, considerable progress has been achieved in realizations of thin nanocomposite layer designed for full absorption of incident electromagnetic (EM) radiation covering S to K band frequencies. The primary objective of this investigation is to achieve best possible EM absorption with a wide bandwidth and attenuation >10 dB for a thin absorbing layer (few hundred of microns). Magnetic yttrium iron garnet (Y3Fe5O12; in short YIG) nanoparticles (NPs) were prepared by sol-gel (SG) as well as solid-state (SS) reaction methods to elucidate the effects of nanoscale finite size on the magnetic behavior of the particles and hence their microwave absorption capabilities. It is found that YIG prepared by these two methods are different in many ways. Magnetic properties investigated using vibrating sample magnetometry (VSM) exhibit that the coercivity (Hc) of solid-state NPs is much larger (72 Oe) than the sol-gel NPs (31 Oe). Microwave absorption properties were studied by ferromagnetic resonance (FMR) technique in field sweep mode at different fixed frequencies. A thin layer (∼300 μm) of YIG film was deposited using electrophoretic deposition (EPD) technique over a coplanar waveguide (CPW) transmission line made on copper coated RT/duroid® 5880 substrates. Temperature dependent magnetic properties were also investigated using VSM and FMR techniques. Microwave absorption properties were investigated at high temperatures (up to 300 °C) both for sol-gel and solid-state synthesized NPs and are related to skin depth of YIG films. It is observed that microwave absorption almost vanishes when the temperature reached the Néel temperature of YIG.

  14. Experimental and DFT dimer modeling studies of the H-bond induced-vibration modes of l-β-Homoserine.

    Science.gov (United States)

    Yalagi, Shashikala; Tonannavar, J; Yenagi, Jayashree

    2017-06-15

    The vibrational spectra for l-β-Homoserine have been measured (IR absorption: 4000-400cm(-1)/Raman spectra: 4000-200cm(-1)). Characteristic vibrational modes of ammonium (-NH3(+)), carboxylate (-CO2(-)) and hydroxyl (-OH) groups across the 3700-1400cm(-1) are all identified to have originated in inter-molecular hydrogen bonding involving these functional groups. DFT calculations at B3LYP/6-311++G(d, p) level have yielded a single neutral monomer in the gas phase. Since as a member of the amino acids which are known to possess zwitterionic structure in condensed phase, the neutral monomer of l-β-Homoserine is optimized to a zwitterionic structure in a water medium. Consideration of two dimer structures, one dimer with -NH‧‧‧O bond and another -OH‧‧‧O bond, has given rise to vibrational modes that satisfactorily fit to all the observed absorption and Raman bands. It is found that the dimer with -OH‧‧‧O bond (binding energy, 8.896kcal/mol) is more tightly bound than the dimer with -NH‧‧‧O bond (8.363kcal/mol). Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Picosecond thermometer in the amide I band of myoglobin

    DEFF Research Database (Denmark)

    Austin, R.H.; Xie, A.; Meer, L. van der

    2005-01-01

    The amide I and II bands in myoglobin show a heterogeneous temperature dependence, with bands at 6.17 and 6.43 mu m which are more intense at low temperatures. The amide I band temperature dependence is on the long wavelength edge of the band, while the short wavelength side has almost...... can be used to determine the time it takes vibrational energy to flow into the hydration shell. We determine that vibrational energy flow to the hydration shell from the amide I takes approximately 20 ps to occur....

  16. Narrative absorption

    DEFF Research Database (Denmark)

    Narrative Absorption brings together research from the social sciences and Humanities to solve a number of mysteries: Most of us will have had those moments, of being totally absorbed in a book, a movie, or computer game. Typically we do not have any idea about how we ended up in such a state. No...

  17. 2-Chloro- and 2-bromo-3-pyridinecarboxaldehydes: structures, rotamers, fermi resonance and vibration modes.

    Science.gov (United States)

    Yenagi, Jayashree; Shettar, Anita; Tonannavar, J

    2011-09-01

    FT-Infrared (4000-400 cm(-1)) and NIR-FT-Raman (4000-50 cm(-1)) spectral measurements have been made for 2-chloro- and 2-bromo-3-pyridinecarboxaldehydes. A DFT vibration analysis at B3LYP/6-311++G (d,p) level, valence force-fields and vibrational mode calculations have been performed. Aided by very good agreement between observed and computed vibration spectra, a complete assignment of fundamental vibration modes to the observed absorptions and Raman bands has been proposed. Orientations of the aldehydic group have produced two oblate asymmetric rotamers for each molecule, ON-trans and ON-cis: the ON-trans rotamer being more stable than cis by 3.42 kcal mol(-1) for 2-chloro-3-pyridinecarboxaldehyde and 3.68 kcal mol(-1) for 2-bromo-3-pyridinecarboxaldehyde. High potential energy barrier ca 14 kcal/mol, induced by steric hindrance, restricts rotamers' population to ON-trans only. It is observed that, in the presence of bromine, C-H stretching modes are pronounced; a missing characteristic ring mode in chlorine's presence shows at 1557 cm(-1); the characteristic ring mode at 1051 cm(-1) is diminished; a mixed mode near 707 cm(-1) is enhanced. Further, an observed doublet near 1696-1666 cm(-1) in both IR and Raman spectra is explained on the basis of Fermi resonance between aldehydic carbonyl stretching at 1696 cm(-1) and a combination mode of ring stretch near 1059 cm(-1) and deformation vibration, 625 cm(-1). A strong Raman aldehydic torsional mode at 62 cm(-1) is interpreted to correspond to the dominant ON-trans over cis rotamers population. Copyright © 2011 Elsevier B.V. All rights reserved.

  18. Active vibration isolation platform on base of magnetorheological elastomers

    Energy Technology Data Exchange (ETDEWEB)

    Mikhailov, Valery P., E-mail: mikhailov@bmstu.ru; Bazinenkov, Alexey M.

    2017-06-01

    The article describes the active vibration isolation platform on base of magnetorheological (MR) elastomers. An active damper based on the MR elastomers can be used as an actuator of micro- or nanopositioning for a vibroinsulated object. The MR elastomers give such advantages for active control of vibration as large range of displacements (up to 1 mm), more efficient absorption of the vibration energy, possibility of active control of amplitude-frequency characteristics and positioning with millisecond response speed and nanometer running accuracy. The article presents the results of experimental studies of the most important active damper parameters. Those are starting current, transient time for stepping, transmission coefficient of the vibration displacement amplitude.

  19. Measurements of linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene in the ν4+ν5 combination band using a cw quantum cascade laser

    KAUST Repository

    Sajid, Muhammad Bilal

    2014-11-01

    Linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene have been measured at 296K in the P branch of the ν4+ν5 combination band for 25 rotational transitions. The effect of gas temperature is studied over 296-683K for five transitions to allow the determination of the temperature dependent exponent n for N2- and Ar-broadening coefficients. These measurements were performed using a continuous-wave quantum cascade laser (cw-QCL) operating over 1253-1310cm-1. Spectroscopic parameters were obtained by fitting absorption spectra using Voigt, Galatry and Rautian profiles. Linestrength and broadening results are compared with previous studies available in literature for the ν4+ν5 combination band and other vibrational bands of acetylene. © 2014 Elsevier Ltd.

  20. Measurements of linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene in the ν4+ν5 combination band using a cw quantum cascade laser

    Science.gov (United States)

    Sajid, Muhammad Bilal; Es-sebbar, Et-touhami; Farooq, Aamir

    2014-11-01

    Linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene have been measured at 296 K in the P branch of the ν4+ν5 combination band for 25 rotational transitions. The effect of gas temperature is studied over 296-683 K for five transitions to allow the determination of the temperature dependent exponent n for N2- and Ar-broadening coefficients. These measurements were performed using a continuous-wave quantum cascade laser (cw-QCL) operating over 1253-1310 cm-1. Spectroscopic parameters were obtained by fitting absorption spectra using Voigt, Galatry and Rautian profiles. Linestrength and broadening results are compared with previous studies available in literature for the ν4+ν5 combination band and other vibrational bands of acetylene.

  1. Monothiodibenzoylmethane: Structural and vibrational assignments

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Gorski, Alexander; Posokhov, Yevgen

    2007-01-01

    The vibrational structure of the title compound (1,3-diphenyl-3-thioxopropane-1-one, TDBM) was studied by a variety of experimental and theoretical methods. The stable ground state configuration of TDBM was investigated by IR absorption measurements in different media, by LD polarization spectros...... to an “open”, non-chelated enethiol form (t-TCC), thereby supporting the previous conclusions by Posokhov et al. No obvious indications of the contribution of other forms to the observed spectra could be found....

  2. Ultrasensitive broadband probing of molecular vibrational modes with multifrequency optical antennas.

    Science.gov (United States)

    Aouani, Heykel; Šípová, Hana; Rahmani, Mohsen; Navarro-Cia, Miguel; Hegnerová, Kateřina; Homola, Jiří; Hong, Minghui; Maier, Stefan A

    2013-01-22

    Optical antennas represent an enabling technology for enhancing the detection of molecular vibrational signatures at low concentrations and probing the chemical composition of a sample in order to identify target molecules. However, efficiently detecting different vibrational modes to determine the presence (or the absence) of a molecular species requires a multispectral interrogation in a window of several micrometers, as many molecules present informative fingerprint spectra in the mid-infrared between 2.5 and 10 μm. As most nanoantennas exhibit a narrow-band response because of their dipolar nature, they are not suitable for such applications. Here, we propose the use of multifrequency optical antennas designed for operating with a bandwidth of several octaves. We demonstrate that surface-enhanced infrared absorption gains in the order of 10(5) can be easily obtained in a spectral window of 3 μm with attomolar concentrations of molecules, providing new opportunities for ultrasensitive broadband detection of molecular species via vibrational spectroscopy techniques.

  3. Vibration and Fluorescence Spectra of Porphyrin- CoredBis(methylol-propionic Acid Dendrimers

    Directory of Open Access Journals (Sweden)

    Boris Minaev

    2009-03-01

    Full Text Available Bis-MPA dendron-coated free-base tetraphenylporphyrin and zinc-tetraphenyl-porphyrin (TPPH2 and TPPZn were studied in comparison with simple porphyrins (H2P, ZnP by theoretical simulation of their infrared, Raman and electronic absorption spectra, as well as fluorescense emission. Infrared and fluorescence spectra of the dendrimers were measured and interpreted along with time-resolved measurements of the fluorescence. The 0-1 emission band of the dendron substituted TPPZn was found to experience a "heavy substitution"-effect. The 0-1 vibronic emission signal is associated with a longer decay time (approx. 7 - 8 ns than the 0-0 emission (approx. 1 - 1.5 ns. The former contributed with more relative emission yield for larger dendron substituents, in agreement with the appearance of steady-state emission spectra showing increased contribution from the 0-1 vibronic fluorescence band at 650 nm. No such substitution effect was observed in the electronic or vibrational spectra of the substituted free-base variant, TPPH2. Vibration spectra of the parent porphyrins (H2P, ZnP, TPPH2 and TPPZn were calculated by density functional theory (DFT using the B3LYP/6-31G** approximation and a detailed analysis of the most active vibration modes was made based on both literature and our own experimental data. Based on the results of theoretical calculations the wide vibronic bands in the visible region were assigned. The vibronic structure also gave a qualitative interpretation of bands in the electronic absorption spectra as well as in fluorescence emission depending on the size of dendrimer substitution. From the results of time-dependent DFT calculations it is suggested that the TPPZn-cored dendrimers indicate strong vibronic interaction and increased Jahn-Teller distortion of the prophyrin core for larger dendrimer generations. Specifically, this leads to the entirely different behaviour of the emission spectra upon substitution of the TPPH2 and TPPZn

  4. Infrared absorption spectroscopy of diacetylene ions trapped in solid argon.

    Science.gov (United States)

    Szczepanski, Jan; Wang, Haiyan; Jones, Brittnee; Arrington, Caleb A; Vala, Martin T

    2005-03-07

    The C4H2+ diacetylene radical cation has been generated in a pulsed jet electrical discharge through both a diacetylene/argon mixture and an acetylene/argon mixture. The product mixture was trapped on a 12 K cryostat window and studied via Fourier transform infrared absorption spectroscopy. The diacetylene cation was also produced via low energy electron bombardment of an effusive C4H2/Ar beam. Two new infrared bands at 3201.6 and 1827.9 cm(-1) have been identified as vibrations of the diacetylene cation, viz the v4 (sigmau) (C-H stretching) and the v5(sigmau) (C[triple bond]C stretching) modes, respectively. Geometry optimization and harmonic frequency calculations, carried out at various spin unrestricted levels (B3LYP, CCSD(T)) for spin doublet structures, indicate that, in its electronic ground state X2pi(g), the C4H2+ cation is linear. Three additional new bands at 2957.5, 1693.8 and 594.5 cm(-1) have been tentatively assigned to the C-H stretching, C[triple bond]C stretching and C[triple bond]C-H (in-plane) bending modes, respectively, of the nonlinear diacetylene anion (C4H2-, X2B(u)).

  5. Quantification of atmospheric formaldehyde by infrared absorption spectroscopy

    Science.gov (United States)

    Hoffnagle, John; Fleck, Derek; Rella, Chris; Kim-Hak, David

    2017-04-01

    Formaldehyde is a toxic, carcinogenic compound that can contaminate ambient air as a result of combustion or outgassing of commercial products such as adhesives used to fabricate plywood and to affix indoor carpeting. Like many small molecules, formaldehyde has an infrared absorption spectrum exhibiting bands of ro-vibrational transitions that are well resolved at low pressure and therefore well suited for optical analysis of formaldehyde concentration. We describe progress in applying cavity ring-down spectroscopy of the 2v5 band (the first overtone of the asymmetric C-H stretch, origin at 1770 nm) to the quantitative analysis of formaldehyde concentration in ambient air. Preliminary results suggest that a sensitivity of 1-2 ppb in a measurement interval of a few seconds, and 0.1-0.2 ppb in a few minutes, should be achievable with a compact, robust, and field-deployable instrument. Finally, we note that recent satellites monitoring snapshots of formaldehyde columns give insights into global formaldehyde production, migration and lifetime. The ability to monitor formaldehyde with a small and portable analyzer has the potential to aid in validation of these snapshots and to provide complementary data to show vertical dispersions with high spatial accuracy.

  6. Preparation and investigation of structural, magnetic and microwave absorption properties of cerium doped barium hexaferrite

    Directory of Open Access Journals (Sweden)

    P Kameli

    2015-01-01

    Full Text Available In this study the structure, magnetic and microwave absorption properties of cerium (Ce doped barium hexaferrite with general formulae BaCexFe12-xO19 (x=0.0, 0.05, 0.1, 0.15, 0.2 have been investigated. These samples have been prepared by sol- gel method. Influence of replacing Fe+3 ion by rare- earth Ce+3 ion on the structural, magnetic and microwave absorption properties have been investigated by X- ray diffraction (XRD, Fourier transform infrared (FT-IR, Vibrating sample magnetometer (VSM and vector network analyzer (VNA. X-ray diffraction analysis indicated that the samples are of single phase with space group p63/mmc. The magnetic properties of samples indicated that with the Ce doping the saturation magnetization show no regular behavior. Moreover, coercivity (Hc first decreased and reached to the minimum value for x=0.1 sample and then increased with Ce content increasing. Also, measurement of electromagnetic wave absorption in X and Ku frequency bands indicated that the maximum of reflection loss obtained for x=0.15 sample. Moreover, result indicated that absorption peak shifted toward a lower frequency when thickness was increased.

  7. Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects.

    Science.gov (United States)

    Guo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien

    2012-04-14

    High resolved absorption and fluorescence spectra of zinc complexes of phthalocyanine (ZnPc) and tetrabenzoporphyrin (ZnTBP) in the region of Q states were reported. Few theoretical investigations were performed to simulate the well-resolved spectra and assigned the vibrational bands of the large molecules, especially for high symmetrical characteristic molecules, on account of the difficulties to optimize the excited states and analyze a large number of final vibrational-normal modes. In the present work, the S(0) ↔ S(1) absorption and fluorescence spectra (that is, the Q band) of ZnPc and ZnTBP were simulated using time-dependent density functional theory with the inclusions of Duschinsky and Herzberg-Teller contributions to the electronic transition dipole moments. The theoretical results provide a good description of the optical spectra and are proved to be in excellent agreement with experimental spectra in inert-gas matrices or in supersonic expansion. This study focused attentions on the optical spectral similarities and contrasts between ZnPc and ZnTBP, in particular the noticeable Duschinsky and Herzberg-Teller effects on the high-resolved absorption and fluorescence spectra were considered. Substitution of meso-tetraaza on the porphyrin macrocycle framework could affect the ground state geometry and alter the electron density distributions, the orbital energies that accessible in the Q band region of the spectrum. The results were used to help interpret both the nature of the electronic transitions in Q band region, and the spectral discrepancies between phthalocyanine and porphyrin systems.

  8. Spectroscopy of Vibrational States in Diatomic Iodine Molecules

    Science.gov (United States)

    Mulholland, Mary; Harrill, Charles H.; Smith, R. Seth

    2015-04-01

    This project is focused on understanding the vibrational structure of iodine, which is a homonuclear diatomic molecule. A 20 mW, 532 nm cw diode laser was used to selectively excite neutral iodine molecules to a higher energy electronic state. By performing spectroscopy on the transitions from this state to a lower energy electronic state, the data only showed those vibrational bands which connect the two electronic states. Since a number of vibrational levels are populated in the higher energy electronic state, the transitions to all of the allowed vibrational levels in the lower energy electronic state provided sufficient data to determine the vibrational structures of both states. Emission spectra were collected with an Ocean Optics USB4000 Compact CCD Spectrometer. The spectrometer had a range of 500 - 770 nm with a resolution of approximately 0.5 nm and was sensitive enough to resolve the vibrational states in diatomic iodine molecules. The results were compared to a simple harmonic oscillator model.

  9. The Fourier transform absorption spectrum of acetylene between 7000 and 7500 cm-1

    Science.gov (United States)

    Lyulin, O. M.; Vander Auwera, J.; Campargue, A.

    2015-07-01

    High resolution (0.011 cm-1) room temperature (295 K) Fourier transform absorption spectra (FTS) of acetylene have been recorded between 7000 and 7500 cm-1. Line parameters (positions, intensities and self broadening coefficients) have been measured using a multispectrum treatment of three FTS spectra, recorded at 3.84, 8.04 and 56.6 hPa. As a result, a list of 3788 lines was constructed with intensities ranging between about 10-26 and 10-22 cm/molecule. Comparison with accurate predictions provided by a global effective operator model (Lyulin OM, Perevalov VI, Teffo JL, Proc. SPIE 2004;5311:134-43) led to the assignment of 2471 of these lines to 12C2H2. The assigned lines belong to 29 12C2H2 bands, 12 of them being newly reported. Spectroscopic parameters of the upper vibrational levels were derived from band-by-band fits of the line positions (typical rms values are on the order of 0.001 cm-1). About half of the analyzed bands were found to be affected by rovibrational perturbations. Line parameters obtained in this work were compared with those available for about 350 transitions in the HITRAN 2012 database. The large set of new data will be valuable to refine the parameters of the global effective Hamiltonian and dipole moments of 12C2H2.

  10. Donor impurity-related optical absorption spectra in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells: hydrostatic pressure and {gamma}-X conduction band mixing effects

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62209, Cuernavaca, MOR (Mexico); Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain); Lopez, S.Y. [Fac. de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Duque, C.A. [Inst. de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Velasco, V.R. [Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain)

    2007-07-01

    Using a variational procedure within the effective mass approximation, the mixing between the {gamma} and X conduction band valleys in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated by taking into account the effect of applied hydrostatic pressure. Some optical properties such as donor and/or acceptor binding energy and impurity-related transition energies are calculated and comparisons with available experimental data are presented. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Tunable Passive Vibration Suppressor

    Science.gov (United States)

    Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)

    2016-01-01

    An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.

  12. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

  13. Effect of line-mixing on the emissions in the infrared CO2 bands in the middle and upper atmosphere of Earth

    Science.gov (United States)

    Ogibalov, Vladimir

    Radiative transfer in the infrared (IR) ro-vibrational bands of CO2 molecules under non-local thermodynamic equilibrium (NLTE) conditions is an important factor in establishing the global heat balance, structure, and dynamical properties of the mesosphere and lower thermosphere (MLT) of Earth. Moreover, the emissions in the IR bands of CO2 are used for remote sensing of the kinetic temperature and the CO2 abundance in the MLT altitude interval. These reasons require developing both more sophisticated models for estimating the values of non-equilibrium populations of the excited vibrational states of CO2 in the MLT and more detailed radiative transfer schemes. The validity of estimating the cooling rate in the 15 µm CO2 band depends on various input data used. In particular, spectroscopic parameters and a shape of absorption coefficient adopted for lines of the IR CO2 bands are of great importance. Till present time in the NLTE models developed to calculate IR emissions in the CO2 bands, it has been supposed that the absorption coefficient in the band is a simple sum of absorption coefficients of lines included at the given frequency and that the spectral shape of the absorption coefficient in every line is described by the Voigt function. However, it is known, when lines overlap in frequency (especially, in Q-branches of CO2 bands), the spectral band shape calculated according to this approximation could deviate to a large extent from the experimental one due to the effect of line-mixing (LM). This makes the LM-effect be potentially important for solving the NLTE problem of the CO2 bands. In the present study, the current version of computer code realizing the NLTE model for the IR emissions of CO2 in the MLT [1-2] has been further improved to incorporate the LMeffect. The Adjusted Branch Coupling method has been applied to simulate the experimental shape of the absorption coefficient within the spectral interval of the 15 µm band [3]. For a set of atmospheric

  14. Octupole vibration in the superdeformed {sup 196}Pb nucleus; Vibration octupolaire dans le noyau superdeforme {sup 196}Pb

    Energy Technology Data Exchange (ETDEWEB)

    Bouneau, S.; Azaiez, F.; Duprat, J. [Experimental Research Division, Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)] [and others

    1999-11-01

    The study of the superdeformed (SD) {sup 196}Pb nucleus has been revisited using the EUROGAM phase 2 spectrometer. All the three observed excited SD bands were found to decay to the Yrast SD band through, presumably, E1 transitions, allowing relative spin and excited energy assignments. Comparisons with calculation using the random phase approximation suggests that all three excited bands can be interpreted as octupole vibrational structures. (authors) 5 refs., 1 fig.

  15. Mid-IR Absorption Cross-Section Measurements of Hydrocarbons

    KAUST Repository

    Alrefae, Majed Abdullah

    2013-05-01

    Laser diagnostics are fast-response, non-intrusive and species-specific tools perfectly applicable for studying combustion processes. Quantitative measurements of species concentration and temperature require spectroscopic data to be well-known at combustion-relevant conditions. Absorption cross-section is an important spectroscopic quantity and has direct relation to the species concentration. In this work, the absorption cross-sections of basic hydrocarbons are measured using Fourier Transform Infrared (FTIR) spectrometer, tunable Difference Frequency Generation laser and fixed wavelength helium-neon laser. The studied species are methane, methanol, acetylene, ethylene, ethane, ethanol, propylene, propane, 1-butene, n-butane, n-pentane, n-hexane, and n-heptane. The Fourier Transform Infrared (FTIR) spectrometer is used for the measurements of the absorption cross-sections and the integrated band intensities of the 13 hydrocarbons. The spectral region of the spectra is 2800 – 3400 cm-1 (2.9 – 3.6 μm) and the temperature range is 673 – 1100 K. These valuable data provide huge opportunities to select interference-free wavelengths for measuring time-histories of a specific species in a shock tube or other combustion systems. Such measurements can allow developing/improving chemical kinetics mechanisms by experimentally determining reaction rates. The Difference Frequency Generation (DFG) laser is a narrow line-width, tunable laser in the 3.35 – 3.53 μm wavelength region which contains strong absorption features for most hydrocarbons due to the fundamental C-H vibrating stretch. The absorption cross-sections of propylene are measured at seven different wavelengths using the DFG laser. The temperature range is 296 – 460 K which is reached using a Reflex Cell. The DFG laser is very attractive for kinetic studies in the shock tube because of its fast time response and the potential possibility of making species-specific measurements. The Fixed wavelength

  16. Relevance of motion artifact in electromyography recordings during vibration treatment.

    Science.gov (United States)

    Fratini, Antonio; Cesarelli, Mario; Bifulco, Paolo; Romano, Maria

    2009-08-01

    Electromyography readings (EMGs) from quadriceps of fifteen subjects were recorded during whole body vibration treatment at different frequencies (10-50 Hz). Additional electrodes were placed on the patella to monitor the occurrence of motion artifact, triaxial accelerometers were placed onto quadriceps to monitor motion. Signal spectra revealed sharp peaks corresponding to vibration frequency and its harmonics, in accordance with the accelerometer data. EMG total power was compared to that associated with vibration harmonics narrow bands, before and during vibration. On average, vibration associated power resulted in only 3% (+/-0.9%) of the total power prior to vibration and 29% (+/-13.4%) during vibration. Often, studies employ surface EMG to quantitatively evaluate vibration evoked muscular activity and to set stimulation frequency. However, previous research has not accounted for motion artifacts. The data presented in this study emphasize the need for the removal of motion artifacts, as they consistently affect RMS estimation, which is often used as a concise muscle activity index during vibrations. Such artifacts, rather unpredictable in amplitude, might be the cause of large inter-study differences and must be eliminated before analysis. Motion artifact filtering will contribute to thorough and precise interpretation of neuromuscular response to vibration treatment.

  17. Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N '-methyl amide conformational states

    DEFF Research Database (Denmark)

    Bohr, Henrik; Frimand, Kenneth; Jalkanen, Karl J.

    2001-01-01

    Density-functional theory (DFT) calculations utilizing the Becke 3LYP hybrid functional have been carried out for N-acetyl L-alanine N'-methylamide and examined with respect to the effect of water on the structure, the vibrational frequencies, vibrational absorption (VA), vibrational circular dic...

  18. Demonstration That Calibration of the Instrument Response to Polarizations Parallel and Perpendicular to the Object Space Projected Slit of an Imaging Spectrometer Enable Measurement of the Atmospheric Absorption Spectrum in Region of the Weak CO2 Band for the Case of Arbitrary Polarization: Implication for the Geocarb Mission

    Science.gov (United States)

    Kumer, J. B.; Rairden, R. L.; Polonsky, I. N.; O'Brien, D. M.

    2014-12-01

    The Tropospheric Infrared Mapping Spectrometer (TIMS) unit rebuilt to operate in a narrow spectral region, approximately 1603 to 1615 nm, of the weak CO2 band as described by Kumer et al. (2013, Proc. SPIE 8867, doi:10.1117/12.2022668) was used to conduct the demonstration. An integrating sphere (IS), linear polarizers and quarter wave plate were used to confirm that the instrument's spectral response to unpolarized light, to 45° linearly polarized light and to circular polarized light are identical. In all these cases the intensity components Ip = Is where Ip is the component parallel to the object space projected slit and Is is perpendicular to the slit. In the circular polarized case Ip = Is in the time averaged sense. The polarizer and IS were used to characterize the ratio Rθ of the instrument response to linearly polarized light at the angle θ relative to parallel from the slit, for increments of θ from 0 to 90°, to that of the unpolarized case. Spectra of diffusely reflected sunlight passed through the polarizer in increments of θ, and divided by the respective Rθ showed identical results, within the noise limit, for solar spectrum multiplied by the atmospheric transmission and convolved by the Instrument Line Shape (ILS). These measurements demonstrate that unknown polarization in the diffusely reflected sunlight on this small spectral range affect only the slow change across the narrow band in spectral response relative to that of unpolarized light and NOT the finely structured / high contrast spectral structure of the CO2 atmospheric absorption that is used to retrieve the atmospheric content of CO2. The latter is one of the geoCARB mission objectives (Kumer et al, 2013). The situation is similar for the other three narrow geoCARB bands; O2 A band 757.9 to 768.6 nm; strong CO2 band 2045.0 to 2085.0 nm; CH4 and CO region 2300.6 to 2345.6 nm. Polonsky et al have repeated the mission simulation study doi:10.5194/amt-7-959-2014 assuming no use of a geo

  19. Suppression of thermal carrier escape and efficient photo-carrier generation by two-step photon absorption in InAs quantum dot intermediate-band solar cells using a dot-in-well structure

    Energy Technology Data Exchange (ETDEWEB)

    Asahi, S.; Teranishi, H.; Kasamatsu, N.; Kada, T.; Kaizu, T.; Kita, T. [Department of Electrical and Electronic Engineering, Graduate School of Engineering, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-08-14

    We investigated the effects of an increase in the barrier height on the enhancement of the efficiency of two-step photo-excitation in InAs quantum dot (QD) solar cells with a dot-in-well structure. Thermal carrier escape of electrons pumped in QD states was drastically reduced by sandwiching InAs/GaAs QDs with a high potential barrier of Al{sub 0.3}Ga{sub 0.7}As. The thermal activation energy increased with the introduction of the barrier. The high potential barrier caused suppression of thermal carrier escape and helped realize a high electron density in the QD states. We observed efficient two-step photon absorption as a result of the high occupancy of the QD states at room temperature.

  20. Vibration analysis of cryocoolers

    Science.gov (United States)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira; Koyama, Tomohiro; Li, Rui

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas.

  1. Vibration analysis of cryocoolers

    Energy Technology Data Exchange (ETDEWEB)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Koyama, Tomohiro; Rui Li [Sumitomo Heavy Industries Ltd., Tokyo (Japan)

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas. (Author)

  2. Vibration of hydraulic machinery

    CERN Document Server

    Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

    2013-01-01

    Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

  3. Observation and Analysis of N[subscript 2]O Rotation-Vibration Spectra: A Physical Chemistry Laboratory Experiment

    Science.gov (United States)

    Bryant, Mark S.; Reeve, Scott W.; Burns, William A.

    2008-01-01

    The linear molecule N[subscript 2]O is presented as an alternative gas-phase species for the ubiquitous undergraduate physical chemistry rotation-vibration spectroscopy experiment. Utilizing a 0.5 cm[superscript -1] resolution teaching grade FTIR spectrometer, 15 vibrational bands, corresponding to 1229 rotation-vibration transitions, have been…

  4. Conformational and vibrational reassessment of solid paracetamol

    Science.gov (United States)

    Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

    2017-08-01

    This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

  5. Infrared cross-sections and integrated band intensities of propylene: Temperature-dependent studies

    KAUST Repository

    Es-sebbar, Et-touhami

    2014-01-01

    Propylene, a by-product of biomass burning, thermal cracking of hydrocarbons and incomplete combustion of fossil fuels, is a ubiquitous molecule found in the environment and atmosphere. Accurate infrared (IR) cross-sections and integrated band intensities of propylene are essential for quantitative measurements and atmospheric modeling. We measured absolute IR cross-sections of propylene using Fourier Transform Infrared (FTIR) Spectroscopy over the wavenumber range of 400-6500cm-1 and at gas temperatures between 296 and 460K. We recorded these spectra at spectral resolutions ranging from 0.08 to 0.5cm-1 and measured the integrated band intensities for a number of vibrational bands in certain spectral regions. We then compared the integrated band intensities measured at room temperature with values derived from the National Institute of Standards and Technology (NIST) and the Pacific Northwest National Laboratory (PNNL) databases. Our results agreed well with the results reported in the two databases with a maximum deviation of about 4%. The peak cross-sections for the primary bands decreased by about 20-54% when the temperature increased from 296 to 460K. Moreover, we determined the integrated band intensities as a function of temperature for certain features in various spectral regions; we found no significant temperature dependence over the range of temperatures considered here. We also studied the effect of temperature on absorption cross-section using a Difference Frequency Generation (DFG) laser system. We compared the DFG results with those obtained from the FTIR study at certain wavenumbers over the 2850-2975cm-1 range and found a reasonable agreement with less than 10% discrepancy. © 2013 Elsevier Ltd.

  6. Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopy.

    Science.gov (United States)

    Chen, Jin-Dah; Lee, Yuan-Pern

    2011-03-07

    A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to detect temporally resolved infrared absorption spectra of CH(3)OSO produced upon irradiation of a flowing gaseous mixture of CH(3)OS(O)Cl in N(2) or CO(2) at 248 nm. Two intense transient features with origins near 1152 and 994 cm(-1) are assigned to syn-CH(3)OSO; the former is attributed to overlapping bands at 1154 ± 3 and 1151 ± 3 cm(-1), assigned to the S=O stretching mixed with CH(3) rocking (ν(8)) and the S=O stretching mixed with CH(3) wagging (ν(9)) modes, respectively, and the latter to the C-O stretching (ν(10)) mode at 994 ± 6 cm(-1). Two weak bands at 2991 ± 6 and 2956 ± 3 cm(-1) are assigned as the CH(3) antisymmetric stretching (ν(2)) and symmetric stretching (ν(3)) modes, respectively. Observed vibrational transition wavenumbers agree satisfactorily with those predicted with quantum-chemical calculations at level B3P86∕aug-cc-pVTZ. Based on rotational parameters predicted at that level, the simulated rotational contours of these bands agree satisfactorily with experimental results. The simulation indicates that the S=O stretching mode of anti-CH(3)OSO near 1164 cm(-1) likely makes a small contribution to the observed band near 1152 cm(-1). A simple kinetic model of self-reaction is employed to account for the decay of CH(3)OSO and yields a second-order rate coefficient k=(4 ± 2)×10(-10) cm(3)molecule(-1)s(-1). © 2011 American Institute of Physics.

  7. Metamaterial with electromagnetic transparency under multiband absorptions

    Science.gov (United States)

    Zhang, Xu; Qi, Limei

    2017-02-01

    We propose a metal-dielectric-metal (MDM) metamaterial that has an electromagnetic (EM) transparency spectrum under multiband absorptions in the C and the X bands. The ground continuous metal film used in the conventional metamaterial absorber (MA) is replaced by a structured ground plane (SGP) in our design. The band-pass properties of the front patterned metal film and the SGP determine the EM transparency spectrum, while the magnetic and the electric resonances in the MDM structure contribute to the multiband absorptions. Due to the symmetric structure of the unit cell, the absorption bands and the EM transparency spectrum of the metamaterial have the property of polarization independency. Despite the normal incidence, the metamaterial can also be used for non-normal incidence.

  8. Multi-band, highly absorbing, microwave metamaterial structures

    Science.gov (United States)

    Kollatou, T. M.; Dimitriadis, A. I.; Assimonis, S. D.; Kantartzis, N. V.; Antonopoulos, C. S.

    2014-05-01

    A further example of multi-band absorption using ultra-thin, polarization-insensitive, wide-angled metamaterial absorbers that operate in multi-frequency bands within the microwave regime is presented in this work. The basic structure geometry is utilised to create multi-band highly absorbing structures by incorporating the scalability property of the metamaterials. Simulation results verify the structure's ability for high absorption. The multi-band absorbers are promising candidates as absorbing elements in scientific and technical applications because of its multi-band absorption, polarization insensitivity, and wide-angle response. Finally, the current distributions for those structures are presented to gain a better insight into the physics behind the multiple absorption mechanism.

  9. New results on the superdeformed {sup 196}Pb nucleus: The decay of the excited bands to the yrast band

    Energy Technology Data Exchange (ETDEWEB)

    Bouneau, S.; Azaiez, F.; Duprat, J. [IPN, Orsay (France)] [and others

    1996-12-31

    The study of the superdeformed (SD) {sup 196}Pb nucleus has been revisited using the EUROGAM phase 2 spectrometer. In addition to the known yrast and two lowest excited SD bands, a third excited SD band has been seen. All of the three excited bands were found to decay to the yrast SD band through, presumably, E1 transitions, allowing relative spin and excitation energy assignments. Comparisons with calculations using the random-phase approximation suggest that all three excited bands can be interpreted as octupole vibrational structures.

  10. Wind-excited vibrations - Solution by passive dynamic vibration absorbers of different types

    Czech Academy of Sciences Publication Activity Database

    Fischer, Ondřej

    2007-01-01

    Roč. 95, 9-11 (2007), s. 1028-1039 ISSN 0167-6105. [EACWE 4. Praha, 11.07.2005-15.07.2005] R&D Projects: GA AV ČR(CZ) IAA200710505; GA AV ČR(CZ) IAA2071401; GA ČR(CZ) GA103/06/0099 Institutional research plan: CEZ:AV0Z20710524 Keywords : wind-excited vibrations * slender structures * vibration absorption Subject RIV: JM - Building Engineering Impact factor: 0.959, year: 2007

  11. Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studies.

    Science.gov (United States)

    Kayal, Surajit; Roy, Khokan; Umapathy, Siva

    2018-01-14

    Ultrafast torsional dynamics plays an important role in the photoinduced excited state dynamics. Tetraphenylethylene (TPE), a model system for the molecular motor, executes interesting torsional dynamics upon photoexcitation. The photoreaction of TPE involves ultrafast internal conversion via a nearly planar intermediate state (relaxed state) that further leads to a twisted zwitterionic state. Here, we report the photoinduced structural dynamics of excited TPE during the course of photoisomerization in the condensed phase by ultrafast Raman loss (URLS) and femtosecond transient absorption (TA) spectroscopy. TA measurements on the S1 state reveal step-wise population relaxation from the Franck-Condon (FC) state → relaxed state → twisted state, while the URLS study provides insights on the vibrational dynamics during the course of the reaction. The TA spectral dynamics and vibrational Raman amplitudes within 1 ps reveal vibrational wave packet propagating from the FC state to the relaxed state. Fourier transformation of this oscillation leads to a ∼130 cm-1 low-frequency phenyl torsional mode. Two vibrational marker bands, Cet=Cet stretching (∼1512 cm-1) and Cph=Cph stretching (∼1584 cm-1) modes, appear immediately after photoexcitation in the URLS spectra. The initial red-shift of the Cph=Cph stretching mode with a time constant of ∼400 fs (in butyronitrile) is assigned to the rate of planarization of excited TPE. In addition, the Cet=Cet stretching mode shows initial blue-shift within 1 ps followed by frequency red-shift, suggesting that on the sub-picosecond time scale, structural relaxation is dominated by phenyl torsion rather than the central Cet=Cet twist. Furthermore, the effect of the solvent on the structural dynamics is discussed in the context of ultrafast nuclear dynamics and solute-solvent coupling.

  12. Multi-band slow light metamaterial.

    Science.gov (United States)

    Zhu, Lei; Meng, Fan-Yi; Fu, Jia-Hui; Wu, Qun; Hua, Jun

    2012-02-13

    In this paper, a multi-band slow light metamaterial is presented and investigated. The metamaterial unit cell is composed of three cut wires of different sizes and parallel to each other. Two transparency windows induced by two-two overlaps of absorption bands of three cut wires are observed. The multi-band transmission characteristics and the slow light properties of metamaterial are verified by numerical simulation, which is in a good agreement with theoretical predictions. The impacts of structure parameters on transparency windows are also investigated. Simulation results show the spectral properties can be tuned by adjusting structure parameters of metamaterial. The equivalent circuit model and the synthesis method of the multi-band slow light metamaterial are presented. It is seen from simulation results that the synthesis method accurately predicts the center frequency of the multi-band metamaterial, which opens a door to a quick and accurate construction for multi-band slow light metamaterial.

  13. Equivalent sound absorption area in a rectangular reverberant room (Sabine's sound absorption factor)

    Science.gov (United States)

    Tohyama, M.

    1986-07-01

    The equivalent sound absorption area in a rectangular reverberant room can be derived from the initial first and second derivatives (initial decay rate of the time derivative) of the ensemble and space-averaged sound energy decay curve. At low frequency bands, how to estimate the equivalent sound absorption area from the reverberation time has not been theoretically interpreted. This is because the decay curve is not linear in logarithmic scales. The formula for the absorption area derived here, however, does not contain the reverberation time. It shows the theoretical relation between the absorption area and the initial slopes of the decay curve. The equivalent absorption area and averaged damping constants can be estimated theoretically according to the relation derived here for low frequency bands.

  14. Dual band metamaterial perfect absorber based on artificial dielectric ?molecules?

    OpenAIRE

    Xiaoming Liu; Chuwen Lan; Bo Li; Qian Zhao; Ji Zhou

    2016-01-01

    Dual band metamaterial perfect absorbers with two absorption bands are highly desirable because of their potential application areas such as detectors, transceiver system, and spectroscopic imagers. However, most of these dual band metamaterial absorbers proposed were based on resonances of metal patterns. Here, we numerically and experimentally demonstrate a dual band metamaterial perfect absorber composed of artificial dielectric ?molecules? with high symmetry. The artificial dielectric ?mo...

  15. The Automation of Sound Absorption Coefficient Measurement

    OpenAIRE

    Hermawanto, Denny; Suwandi, Achmad

    2006-01-01

    By manual method, the sound absorption coefficient measurement should be done by utilizing many type of equipment such as: measuring amplifier, level recorder, band-pass filter, protactor, etc. However it caused inefficient and need longer time in processing measurement data, therefore the automation system of sound absorption coefficient has been realized. An acoustical real time analyzer type B&K 2144 has been used to record the decay of sound pressure level, thus the processing data is dri...

  16. Hydrogen Bonds and Vibrations of Water on (110) Rutile

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Nitin [ORNL; Neogi, Sanghamitra [Pennsylvania State University; Kent, Paul R [ORNL; Bandura, Andrei V. [St. Petersburg State University, St. Petersburg, Russia; Wesolowski, David J [ORNL; Cole, David R [ORNL; Sofo, Jorge O. [Pennsylvania State University

    2009-01-01

    We study the relation between hydrogen bonding and the vibrational frequency spectra of water on the (110) surface of rutile (α-TiO2) with three structural layers of adsorbed water. Using ab-initio molecular dynamics simulations at 280, 300 and 320K, we find strong, crystallographically-controlled adsorption sites, in general agreement with synchrotron X-ray and classical MD simulations. We demonstrate that these sites are produced by strong hydrogen bonds formed between the surface oxygen atoms and sorbed water molecules. The strength of these bonds is manifested by substantial broadening of the stretching mode vibrational band. The overall vibrational spectrum obtained from our simulations is in good agreement with inelastic neutron scattering experiments. We correlate the vibrational spectrum with different bonds at the surface in order to transform these vibrational measurements into a spectroscopy of surface interactions.

  17. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, Nick [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm-1 intermolecular vibration of the water dimer-d4. Each of the VRT subbands originate from Ka''=0 and terminate in either Ka'=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A' rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the Ka' quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a' symmetry, and the vibration is assigned as the v12 acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D2

  18. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.

  19. A band enhanced metamaterial absorber based on E-shaped all-dielectric resonators

    Science.gov (United States)

    Li, Liyang; Wang, Jun; Du, Hongliang; Wang, Jiafu; Qu, Shaobo; Xu, Zhuo

    2015-01-01

    In this paper, we propose a band enhanced metamaterial absorber in microwave band, which is composed of high-permittivity E-shaped dielectric resonators and metallic ground plate. The E-shaped all-dielectric structure is made of high-temperature microwave ceramics with high permittivity and low loss. An absorption band with 1 GHz bandwidth for both TE and TM polarizations are observed. Moreover, the absorption property is stable under different incident angles. The band enhanced absorption is caused by different resonant modes which lie closely in the absorption band. Due to the enhanced localized electric/magnetic fields at the resonant frequencies, strong absorptions are produced. Our work provides a new method of designing high-temperature and high-power microwave absorbers with band enhanced absorption.

  20. A band enhanced metamaterial absorber based on E-shaped all-dielectric resonators

    Directory of Open Access Journals (Sweden)

    Liyang Li

    2015-01-01

    Full Text Available In this paper, we propose a band enhanced metamaterial absorber in microwave band, which is composed of high-permittivity E-shaped dielectric resonators and metallic ground plate. The E-shaped all-dielectric structure is made of high-temperature microwave ceramics with high permittivity and low loss. An absorption band with 1 GHz bandwidth for both TE and TM polarizations are observed. Moreover, the absorption property is stable under different incident angles. The band enhanced absorption is caused by different resonant modes which lie closely in the absorption band. Due to the enhanced localized electric/magnetic fields at the resonant frequencies, strong absorptions are produced. Our work provides a new method of designing high-temperature and high-power microwave absorbers with band enhanced absorption.

  1. Rotational Analysis of the nu(7) Band in Furan (C(4)H(4)O).

    Science.gov (United States)

    Mellouki; Herman; Demaison; Lemoine; Margulès

    1999-12-01

    We recorded and analyzed the absorption spectrum of the nu(7) fundamental band in furan, observed around 995 cm(-1). Fourier transform (FT) spectroscopy was used at ULB to record the spectrum under room-temperature conditions, at 0.01 cm(-1) instrumental resolution. Diode-laser (DL) spectroscopy in a supersonic jet was used to record some portions of the band at Lille, revealing the fine structure around the band center. Pure rotation (MMW) data in the upper state were also recorded at Lille. Some 5559 FT, 101 DL, and 23 MMW data were assigned in this work. We fitted, on one hand, the MMW and DL data together and, on the other hand, the MMW, DL, and FT data simultaneously using a weighted procedure, constraining the ground state constants to their value determined from the microwave data in the literature. The results from these fits are provided and the constants discussed. Ab initio calculations are also performed to provide a force field which is used to support the very strong increase with the vibrational excitation observed in the inertial defect determined from the experimental rotational constants. Copyright 1999 Academic Press.

  2. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices--CCSD(T) calculations and atomic site occupancies.

    Science.gov (United States)

    Davis, Barry M; McCaffrey, John G

    2016-01-28

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y(1)P ← a(1)S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr2 while this transition is quenched in Ba2. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba2 indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  3. Surface-enhanced near-infrared absorption on nanoporous gold nanoparticle array chip (Conference Presentation)

    Science.gov (United States)

    Shih, Wei-Chuan; Zhao, Fusheng

    2017-02-01

    Near-infrared (NIR) absorption spectroscopy in the 1-2.5 μm wavelength range can provide chemical information based on the overtones and combination bands of fundamental vibrational modes in the infrared (IR) wavelength range. NIR absorption features are significantly broader and weaker due to the fact that the underlying processes are quantum mechanically forbidden. However, substantially lower water absorption allows NIR spectroscopy to be performed on samples with high water content, e.g., biological specimen and other in situ measurements, which otherwise restricts the use of IR light. However, small NIR absorption cross-section results in less sensitivity compared to measuring the IR fundamentals. In addition, NIR measurements are more challenging compared to in other spectral regions because of the lack of high-sensitivity detectors. To overcome these barriers, we propose the use of plasmonic nanostructures. Nanoporous gold nanoparticle (NPG-NP) array chip showcases tunable pore and ligament sizes ranging from nanometers to microns. The nanoporous structure and sub-wavelength nanoparticle shape contribute to its unique LSPR properties. NPG-NP features large specific surface area and high-density plasmonic field enhancement known as "hot-spots". Hence, NPG-NP has found many applications in nanoplasmonic sensor development. In our recent studies, we have shown that NPG-NP array chip can be utilized for high-sensitivity detection by various enhanced spectroscopic modalities, as photothermal agents, and for disease biomarker detection. In this paper, we show the first experimental demonstration of effective and robust surface-enhanced near-infrared absorption (SENIRA) on NPG-NP array chip.

  4. Broadband characteristics of vibration energy harvesting using one-dimensional phononic piezoelectric cantilever beams

    Energy Technology Data Exchange (ETDEWEB)

    Chen Zhongsheng, E-mail: czs_study@sina.com [Key Laboratory of Science and Technology on Integrated Logistics Support, College of Mechatronic Engineering and Automation, National University of Defense Technology, Changsha, Hunan 410073 (China); Yang Yongmin; Lu Zhimiao; Luo Yanting [Key Laboratory of Science and Technology on Integrated Logistics Support, College of Mechatronic Engineering and Automation, National University of Defense Technology, Changsha, Hunan 410073 (China)

    2013-02-01

    Nowadays broadband vibration energy harvesting using piezoelectric effect has become a research hotspot. The innovation in this paper is the widening of the resonant bandwidth of a piezoelectric harvester based on phononic band gaps, which is called one-dimensional phononic piezoelectric cantilever beams (PPCBs). Broadband characteristics of one-dimensional PPCBs are analyzed deeply and the vibration band gap can be calculated. The effects of different parameters on the vibration band gap are presented by both numerical and finite element simulations. Finally experimental tests are conducted to validate the proposed method. It can be concluded that it is feasible to use the PPCB for broadband vibration energy harvesting and there should be a compromise among related parameters for low-frequency vibrations.

  5. Model Indepedent Vibration Control

    OpenAIRE

    Yuan, Jing

    2010-01-01

    A NMIFC system is proposed for broadband vibration control. It has two important features. Feature F1 is that the NMIFC is stable without introducing any invasive effects, such as probing signals or controller perturbations, into the vibration system; feature F2 is

  6. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...

  7. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 2nd edition of this textbook on linear stochastic vibration...

  8. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus

    2002-01-01

    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  9. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  10. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  11. Vibrational spectra of CaGa2O4, Ca2GeO4, CaIn2O4 and CaSnO3 prepared by electrospinning

    Science.gov (United States)

    Zheng, H. L.; Zhang, Z. C.; Zhou, J. G.; Yang, S. S.; Zhao, J.

    2012-08-01

    CaGa2O4 nanofibers, Ca2GeO4 microfibers, CaIn2O4 nanorods, and CaSnO3 nanofibers were synthesized by using an electrospinning technique. Structures and morphologies of the as-synthesized oxides were characterized by X-ray diffraction and scanning electron microscopy, respectively. Raman and infrared spectra were also recorded and analyzed at room temperature. More significantly, nuclear site group analysis was carried out and the number of normal vibrational modes, Raman-active, and infrared-active optical phonon modes were obtained by theoretical calculation. Finally, vibrational assignments of the observed Raman peaks and infrared absorption bands were given based on the group theoretical analysis and experimental data from literature.

  12. Frequency-comb referenced spectroscopy of v4- and v5-excited hot bands in the 1.5 μm spectrum of C2H2

    Science.gov (United States)

    Twagirayezu, Sylvestre; Cich, Matthew J.; Sears, Trevor J.; McRaven, Christopher P.; Hall, Gregory E.

    2015-10-01

    Doppler-free transition frequencies for v4- and v5-excited hot bands have been measured in the v1 + v3 band region of the spectrum of acetylene using saturation dip spectroscopy with an extended cavity diode laser referenced to a frequency comb. The frequency accuracy of the measured transitions, as judged from line shape model fits and comparison to known frequencies in the v1 + v3 band itself, is between 3 and 22 kHz. This is some three orders of magnitude improvement on the accuracy and precision of previous line position estimates that were derived from the analysis of high-resolution Fourier transform infrared absorption spectra. Comparison to transition frequencies computed from constants derived from published Fourier transform infrared spectra shows that some upper rotational energy levels suffer specific perturbations causing energy level shifts of up to several hundred MHz. These perturbations are due to energy levels of the same rotational quantum number derived from nearby vibrational levels that become degenerate at specific energies. Future identification of the perturbing levels will provide accurate relative energies of excited vibrational levels of acetylene in the 7100-7600 cm-1 energy region.

  13. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  14. Gradient and vorticity banding

    NARCIS (Netherlands)

    Dhont, Jan K.G.; Briels, Willem J.

    2008-01-01

    "Banded structures" of macroscopic dimensions can be induced by simple shear flow in many different types of soft matter systems. Depending on whether these bands extend along the gradient or vorticity direction, the banding transition is referred to as "gradient banding" or "vorticity banding,"

  15. On the impact of Vibrational Raman Scattering of N2/O2 on MAX-DOAS Measurements of atmospheric trace gases

    Science.gov (United States)

    Lampel, Johannes; Zielcke, Johannes; Frieß, Udo; Platt, Ulrich; Wagner, Thomas

    2015-04-01

    In remote sensing applications, such as the applications of differential optical absorption spectroscopy (DOAS), atmospheric scattering processes need to be considered since they can modify the observed spectra. Inelastic scattering of photons by N2 and O2 molecules can be observed as additional intensity, effectively leading to filling-in of both, solar Fraunhofer lines and absorption bands of atmospheric constituents. The main contribution is due to rotational Raman scattering, which can lead to changes in observed optical densities of absorption lines up to several percent. Measured optical densities are typically corrected for this effect (also known as Ring Effect). In contrast to that Vibrational Raman scattering of N2 and O2 was often thought to be negligible, but also contributes to this effect. We present calculations of Vibrational Raman cross-sections for O2 and N2 for the application in passive DOAS measurements. Consequences of vibrational Raman scattering are red-shifted Fraunhofer structures, so called 'Fraunhofer Ghost' lines (FGL), in scattered light spectra and filling-in of Fraunhofer lines, additional to rotational Raman scattering. We also present first unequivocal observations of FGL at optical densities of up to several 104. From our measurements and calculations of the optical density of these FGL, we conclude, that this phenomenon has to be included in the spectral evaluation of weak absorbers. Its relevance is demonstrated in spectral evaluations of Multi-Axis (MAX)-DOAS data and an agreement with calculated scattering cross-sections is found. To exclude cross-sensitivities with other absorbers, such as water vapour, MAX-DOAS data from different latitudes and different instruments were analysed. We evaluate the influence of the additional intensities due to vibrational Raman scattering on the spectral retrieval of IO, Glyoxal, H2O and NO2 in the blue wavelength range. In the case of NO2 the column densities derived from certain wavelength

  16. Vibrational lineshapes of adsorbates on solid surfaces

    Science.gov (United States)

    Ueba, H.

    interaction between adsorbate and substrate. Besides spectroscopic studies of adsorbate vibrations, infrared stimulated desorption is chosen as a case study of surface chemical reactions activated by laser radiation. The dynamical processes of photodesorption is discussed in conjunction with infrared absorption, which is followed by its energy dissipation into substrate phonons or molecule-surface bond leading to desorption.

  17. Vibrational analysis of Fourier transform spectrum of the B 3− u (0

    Indian Academy of Sciences (India)

    ... microwave, was recorded on BOMEM DA8 Fourier transform spectrometer at an apodized resolution of 0.035 cm-1. Vibrational constants were improved by putting the wave number of band origins in Deslandre table. The vibrational analysis was supported by determining the Franck–Condon factor and -centroid values.

  18. Diet after gastric banding

    Science.gov (United States)

    Gastric banding surgery - your diet; Obesity - diet after banding; Weight loss - diet after banding ... about any problems you are having with your diet, or about other issues related to your surgery ...

  19. High-resolution study of oscillator strengths and predissociation rates for 13C18O . W-X bands and Rydberg complexes between 92.9 and 93.5 nm

    Science.gov (United States)

    Eidelsberg, M.; Lemaire, J. L.; Federman, S. R.; Heays, A. N.; Stark, G.; Lyons, J. R.; Gavilan, L.; de Oliveira, N.

    2017-06-01

    We carried out experiments at the SOLEIL synchrotron facility to acquire data for modelling CO photochemistry in the vacuum ultraviolet. We report oscillator strengths and predissociation rates for four vibrational bands associated with transitions from the v = 0 level of the X1Σ+ ground state to the v = 0-3 vibrational levels of the core excited W1Π Rydberg state, and for three overlapping bands associated with the 4pπ, 5pπ, and 5pσ Rydberg states between 92.9 and 93.4 nm in 13C18O. These results complete those obtained in the same conditions for 12C16O, 13C16O, and 12C18O recently published by us, and extend the development of a comprehensive database of line positions, oscillator strengths, and linewidths of photodissociating transitions for CO isotopologues. Absorption spectra were recorded using the Vacuum UltraViolet Fourier Transform Spectrometer (VUV-FTS) installed on the Dichroïsme Et Spectroscopie par Interaction avec le Rayonnement Synchrotron (DESIRS) beamline at SOLEIL. The resolving power of the measurements, R = 300 000 to 400 000, allows the analysis of individual line strengths and widths within the bands. Gas column densities in the differentially pumped system were calibrated using the B-X (0-0) band at 115.1 nm in 13C18O.

  20. Bulk damage and absorption in fused silica due to high-power laser applications

    Science.gov (United States)

    Nürnberg, F.; Kühn, B.; Langner, A.; Altwein, M.; Schötz, G.; Takke, R.; Thomas, S.; Vydra, J.

    2015-11-01

    Laser fusion projects are heading for IR optics with high broadband transmission, high shock and temperature resistance, long laser durability, and best purity. For this application, fused silica is an excellent choice. The energy density threshold on IR laser optics is mainly influenced by the purity and homogeneity of the fused silica. The absorption behavior regarding the hydroxyl content was studied for various synthetic fused silica grades. The main absorption influenced by OH vibrational excitation leads to different IR attenuations for OH-rich and low-OH fused silica. Industrial laser systems aim for the maximum energy extraction possible. Heraeus Quarzglas developed an Yb-doped fused silica fiber to support this growing market. But the performance of laser welding and cutting systems is fundamentally limited by beam quality and stability of focus. Since absorption in the optical components of optical systems has a detrimental effect on the laser focus shift, the beam energy loss and the resulting heating has to be minimized both in the bulk materials and at the coated surfaces. In collaboration with a laser research institute, an optical finisher and end users, photo thermal absorption measurements on coated samples of different fused silica grades were performed to investigate the influence of basic material properties on the absorption level. High purity, synthetic fused silica is as well the material of choice for optical components designed for DUV applications (wavelength range 160 nm - 260 nm). For higher light intensities, e.g. provided by Excimer lasers, UV photons may generate defect centers that effect the optical properties during usage, resulting in an aging of the optical components (UV radiation damage). Powerful Excimer lasers require optical materials that can withstand photon energy close to the band gap and the high intensity of the short pulse length. The UV transmission loss is restricted to the DUV wavelength range below 300 nm and

  1. Phase shift cavity ring down and Fourier transform infrared measurements of C-H vibrational transitions, energy levels, and intensities of (CH3)3Si-C≡C-H

    Science.gov (United States)

    Barroso, Jenny Z.; Perez-Delgado, Yasnahir; Manzanares, Carlos E.

    2013-07-01

    Phase shift cavity ring down and Fourier transform IR techniques have been used to observe the C-H stretch fundamental and overtone absorptions of the acetylenic (Δυ = 1-5) and methyl (Δυ = 1-6) C-H bonds of trimethyl-silyl-acetylene [(CH3)3CSi≡CH] at 295 K. Harmonic frequencies ω(ν1), ωa, and ωs and anharmonicities x(ν1), ωaxa, ωsxs were calculated for the acetylenic, methyl out-of-plane, and methyl in-plane C-H bonds, respectively. The harmonically coupled anharmonic oscillator (HCAO) model was used to determine the overtone energy levels and assign the absorption bands to vibrational transitions of methyl C-H bonds. A hot band, assigned as υν1 + ν24 - ν24 is observed for transitions with Δυ = 1-5 in a region near the acetylenic stretch. The intensity of the hot band is reduced considerably at 240 K. The strength of a Fermi resonance between C-Ha transition (υνa) and the combination band ((υ-1)νa + 2νbend) with (υ = 3-6) was calculated using the experimental perturbed energies and relative intensities. The main bands are separated by computer deconvolution and are integrated at each level to get the experimental band strengths. For methyl absorptions, the dipole moment function is expanded as a function of two C-H stretching coordinates and the intensities are calculated in terms of the HCAO model where only the C-H modes are considered. Acetylenic intensities are derived with a one dimensional dipole moment function. The expansion coefficients are obtained from molecular orbital calculations. The intensities are calculated without using adjustable parameters and they are of the same order of magnitude of the experimental intensities for all C-H transitions.

  2. Noise Abatement and Internal Vibrational Absorption in Potential Structural Materials

    Science.gov (United States)

    1976-11-01

    as advertising nor IS an officirl indorument or rpprovrl of such products or companies by the United Strtos Government. DISPOSITION INSTRUCTIONS...made from the high damping iron-chromium-aluminum alloy were obtained from Toshiba Electric Company. The plates have been delivered and are...distributed _ by Toshiba Electric Co. (17) on a proprietary Fe-Cr-Al alloy and the existence of a miscribility gap in the Fe - Cr system shown in

  3. Theory of graphene saturable absorption

    Science.gov (United States)

    Marini, A.; Cox, J. D.; García de Abajo, F. J.

    2017-03-01

    Saturable absorption is a nonperturbative nonlinear optical phenomenon that plays a pivotal role in the generation of ultrafast light pulses. Here we show that this effect emerges in graphene at unprecedentedly low light intensities, thus opening avenues to new nonlinear physics and applications in optical technology. Specifically, we theoretically investigate saturable absorption in extended graphene by developing a semianalytical nonperturbative single-particle approach, describing electron dynamics in the atomically-thin material using the two-dimensional Dirac equation for massless Dirac fermions, which is recast in the form of generalized Bloch equations. By solving the electron dynamics nonperturbatively, we account for both interband and intraband contributions to the intensity-dependent saturated conductivity and conclude that the former dominates regardless of the intrinsic doping state of the material. We obtain results in qualitative agreement with atomistic quantum-mechanical simulations of graphene nanoribbons including electron-electron interactions, finite-size, and higher-band effects. Remarkably, such effects are found to affect mainly the linear absorption, while the predicted saturation intensities are in good quantitative agreement in the limit of extended graphene. Additionally, we find that the modulation depth of saturable absorption in graphene can be electrically manipulated through an externally applied gate voltage. Our results are relevant for the development of graphene-based optoelectronic devices, as well as for applications in mode-locking and random lasers.

  4. Infrared spectra of thin films of α-crystalline hexafluoroethane: a manifestation of resonant dipole-dipole interaction in the range of fundamental vibrational modes ν5 and ν10

    Science.gov (United States)

    Golubkova, O. S.; Kataeva, T. S.; Shchepkin, D. N.; Asfin, R. E.

    2017-06-01

    Infrared reflection-absorption spectra of thin films of α-crystalline hexafluoroethane deposited on a gold-plated copper mirror are measured at temperatures of 70 and 80 K. The bands corresponding to strong in the dipole absorption vibrations ν5 and ν10 have complex contours, the shape of which is explained in terms of the resonant dipole-dipole interaction between identical spectrally active molecules of the crystal. Splittings of the complex ν5 and ν10 bands are explained taking into account two effects: the Davydov splitting and the LO-TO splitting of the strong modes. Bands of the asymmetric 13C12CF6 isotopologue in the absorption spectrum of the crystal exhibit an anomalously large isotope shift as compared with the shift in the spectrum of free molecules. This anomaly is explained by intermolecular resonant dipole-dipole interaction of asymmetric 13C12CF6 isotopologue with molecules of the environment, consisting of the most abundant 12C2F6 isotopologue. The correctness of the given interpretation is confirmed calculating these three effects in the model of resonant dipole-dipole interaction.

  5. Coherent coupling between a molecular vibration and Fabry-Perot optical cavity to give hybridized states in the strong coupling limit (Presentation Recording)

    Science.gov (United States)

    Long, James P.; Owrutsky, Jeff C.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Compton, Ryan; Spann, Bryan; Simpkins, Blake S.

    2015-09-01

    Coherent coupling between an optical-transition and confined optical mode, when sufficiently strong, gives rise to new modes separated by the vacuum Rabi splitting. Such systems have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we bring strong polaritonic-coupling in cavities from the visible into the infrared where a new range of static and dynamic vibrational processes await investigation. First, we experimentally and numerically describe coupling between a Fabry-Perot cavity and carbonyl stretch (~1730 cm 1) in poly-methylmethacrylate. As is requisite for "strong coupling", the measured vacuum Rabi splitting of 132 cm 1 is much larger than the full width of the cavity (34 cm-1) and the inhomogeneously broadened carbonyl-stretch (24 cm-1). Agreement with classical theories providea evidence that the mixed-states are relatively immune to inhomogeneous broadening. Next, we investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of urethane. Rabi splittings increases from 0 to ~104 cm-1 with concentrations from 0-20 vol% and are in excellent agreement to an analytical description using no fitting parameters. Ultra-fast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band as well as modifications of energy relaxation times. Finally, we demonstrate coupling to liquids using the C-O stretching band (~1985 cm-1) of Mo(CO)6 in an aqueous solution. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied statically and dynamically.

  6. Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Anup, E-mail: a-dey2002@yahoo.com [Electronics and Communication Engineering Department, Kalyani Government Engineering College, Kalyani 741235 (India); Maiti, Biswajit [Physics Department, Kalyani Government Engineering College, Kalyani 741235 (India); Chanda, Debasree [Department of Engineering and Technological Studies, Kalyani University, Kalyani 741235 (India)

    2014-04-14

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k{sup →}) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg{sub 1−x}Cd{sub x}Te, and In{sub 1−x}Ga{sub x}As{sub y}P{sub 1−y} lattice matched to InP, as example of III–V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

  7. Electromagnetic properties of absorber fabric coated with BaFe12O19/MWCNTs/PANi nanocomposite in X and Ku bands frequency

    Science.gov (United States)

    Afzali, Arezoo; Mottaghitalab, Vahid; Seyyed Afghahi, Seyyed Salman; Jafarian, Mojtaba; Atassi, Yomen

    2017-11-01

    Current investigation focuses on the electromagnetic properties of nonwoven fabric coated with BaFe12O19 (BHF) /MWCNTs/PANi nanocomposite in X and Ku bands. The BHF/MWCNTs and BHF/MWCNTs/PANi nanocomposites are prepared using the sol gel and in-situ polymerization methods respectively. The absorbent fabric was prepared based on applying a 40 wt% of BHF/MWCNTs/PANi nanocomposite in silicon resin on nonwoven fabric via roller coating technique The X-ray diffraction (XRD), scanning electron microscopy (SEM), vibrating sample magnetometer (VSM) and vector network analysis (VNA) are used to peruse microstructural, magnetic and electromagnetic features of the composite and absorber fabric respectively. The microscopic images of the fabric coated with magnetic nanocomposite shows a homogenous layer of nanoparticles on the fabric surface. The maximum reflection loss of binary nano-composite BHF/MWCNTs was measured about -28.50 dB at 11.72 GHz with 1.7 GHz bandwidth (RL < -10 dB) in X band. Moreover in Ku band, the maximum reflection loss is -29.66 dB at 15.78 GHz with 3.2 GHz bandwidths. Also the ternary nanocomposite BHF/MWCNTs/PANi exhibits a broad band absorber over a wide range of X band with a maximum reflection loss of -36.2 dB at 10.2 GHz with 1.5 GHz bandwidth and in the Ku band has arrived a maximum reflection loss of -37.65 dB at 12.84 GHz with 2.43 GHz bandwidth. This result reflects the synergistic effect of the different components with different loss mechanisms. As it is observed due to the presence of PANi in the structure of nanocomposite, the amount of absorption has increased extraordinarily. The absorber fabric exhibits a maximum reflection loss of -24.2 dB at 11.6 GHz with 4 GHz bandwidth in X band. However, in Ku band, the absorber fabric has had the maximum absorption in 16.88 GHz that is about -24.34 dB with 6 GHz bandwidth. Therefore, results indicate that the fabric samples coated represents appreciable maximum absorption value of more than 99% in

  8. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  9. Study of polymorphism in imatinib mesylate: A quantum chemical approach using electronic and vibrational spectra

    Science.gov (United States)

    Srivastava, Anubha; Joshi, B. D.; Tandon, Poonam; Ayala, A. P.; Bansal, A. K.; Grillo, Damián

    2013-02-01

    Imatinib mesylate, 4-(4-methyl-piperazin-1-ylmethyl)-N-u[4-methyl-3-(4-pyridin-3-yl)pyrimidine-2-ylamino)phenyl]benzamide methanesulfonate is a therapeutic drug that is approved for the treatment of chronic myelogeneous leukemia (CML) and gastrointestinal stromal tumors (GIST). It is known that imatinib mesylate exists in two polymorphic forms α and β. However, β-form is more stable than the α-form. In this work, we present a detailed vibrational spectroscopic investigation of β-form by using FT-IR and FT-Raman spectra. These data are supported by quantum mechanical calculations using DFT employing 6-311G(d,p) basis set, which allow us to characterize completely the vibrational spectra of this compound. The FT-IR spectrum of α-form has also been discussed. The importance of hydrogen-bond formation in the molecular packing arrangements of both forms has been examined with the vibrational shifts observed due to polymorphic changes. The red shift of the NH stretching bands in the infrared spectrum from the computed wavenumber indicates the weakening of the NH bond. The UV-vis spectroscopic studies along with the HOMO-LUMO analysis of both polymorphs (α and β) were performed and their chemical activity has been discussed. The TD-DFT method was used to calculate the electronic absorption spectra in the gas phase as well as in the solvent environment using IEF-PCM model and 6-31G basis set. Finally, the results obtained complements to the experimental findings.

  10. Vibration Analysis and the Accelerometer

    Science.gov (United States)

    Hammer, Paul

    2011-01-01

    Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…

  11. Fine structure of the CCl3 UV absorption spectrum and CCl3 kinetics

    DEFF Research Database (Denmark)

    Ellermann, T.

    1992-01-01

    The UV gas-phase spectrum of CCl3 was recorded in the range 220-300 nm using pulse radiolysis of CHCl3/SF6 or CCl4/Ar gas mixtures. The UV spectrum exhibits a pronounced vibrational fine structure which is assigned to transition into the (C2A1'(3s)) Rydberg state. The vibronic progression has...... a band origin around 250 nm and the spacing of 569 +/- 63 cm-1 is ascribed to excitation of the out-of-plane bending mode. The absorption cross section with a maximum of sigma = (1.02 +/- 0.16) x 10(-17) cm2 molecule-1 at 224.80 +/- 0.16 nm was determined relative to sigma(CH3) and sigma(CH3O2). The rate...

  12. Ultrafast dynamics in iron tetracarbonyl olefin complexes investigated with two-dimensional vibrational spectroscopy.

    Science.gov (United States)

    Panman, Matthijs R; Newton, Arthur C; Vos, Jannie; van den Bosch, Bart; Bocokić, Vladica; Reek, Joost N H; Woutersen, Sander

    2013-01-28

    The dynamics of iron tetracarbonyl olefin complexes has been investigated using two-dimensional infrared (2D-IR) spectroscopy. Cross peaks between all CO-stretching bands show that the CO-stretch modes are coupled, and from the cross-peak anisotropies we can confirm previous assignments of the absorption bands. From the pump-probe delay dependence of the diagonal peaks in the 2D-IR spectrum we obtain a correlation time of ∼3 ps for the spectral fluctuations of the CO-stretch modes. We observe a multi-exponential pump-probe delay dependence of the cross-peak intensities, with rate constants ranging from 0.1 ps(-1) to 0.6 ps(-1). To determine whether this delay dependence originates from fluxionality of the complex or from intramolecular vibrational relaxation (IVR), we modulate the free-energy barrier of fluxional rearrangement by varying the pi-backbonding capacities of the olefin ligand in two iron tetracarbonyl olefin complexes: Fe(CO)(4)(cinnamic acid) and Fe(CO)(4)(dimethyl fumarate). Since the pi-backbonding strongly influences the rate of fluxionality, comparing the dynamics in the two complexes allows us to determine to what extent the observed dynamics is caused by fluxionality. We conclude that on the time scale of our experiments (up to 100 ps) the cross-peak dynamics in the iron complexes is determined by intramolecular vibrational energy relaxation. Hence, in contrast to previously investigated irontricarbonyl and ironpentacarbonyl complexes, iron tetracarbonyl olefin complexes exhibit no fluxionality on the picosecond time scale.

  13. Determinação de diagramas de bandas de energia e da borda de absorção em SnO2, depositado via sol-gel, sobre quartzo Determination of the band energy diagram and absorption fundamental edge in SnO2, deposited via sol-gel, on quartz

    Directory of Open Access Journals (Sweden)

    E. A. Floriano

    2009-03-01

    Full Text Available Propriedades ópticas e estruturais de filmes finos de SnO2, depositados sobre substratos de quartzo, são apresentadas. Os filmes são preparados pela técnica de molhamento via sol-gel. Uma avaliação das propriedades eletrônicas do cristal (bulk e das superfícies (110 e (101 do material é também efetuada, através de cálculos baseados em um método mecânico-quântico que utiliza a Teoria do Funcional da Densidade (DFT em conjunto com o funcional hibrido B3LYP. A borda fundamental de absorção, obtida experimentalmente, é então comparada com os diagramas de bandas de energia do bulk e superfícies (110 e (101, calculadas.Optical and structural properties of SnO2 thin films, deposited on quartz substrates, are presented. Films are prepared by the sol-gel-dip-coating technique. An evaluation of the electronic properties of bulk and surfaces (110 and (101 of the material is also carried out, through calculation based on a quantum-mechanical method using the Density Functional Theory (DFT in conjunction with the hybrid functional B3LYP. The absorption fundamental edge, experimentally obtained, is compared to the calculated band energy diagram of bulk and surfaces (110 and (101.

  14. Pressure Distortion of the H2-He Collision-induced Absorption at the Photosphere of Cool White Dwarf Stars

    Science.gov (United States)

    Blouin, S.; Kowalski, P. M.; Dufour, P.

    2017-10-01

    Collision-induced absorption (CIA) from molecular hydrogen is a dominant opacity source in the atmosphere of cool white dwarfs. It results in a significant flux depletion in the near-IR and IR parts of their spectra. Because of the extreme conditions of helium-rich atmospheres (where the density can be as high as a few g cm-3), this opacity source is expected to undergo strong pressure distortion and the currently used opacities have not been validated at such extreme conditions. To check the distortion of the CIA opacity, we applied state-of-the-art ab initio methods of computational quantum chemistry to simulate the CIA opacity at high densities. The results show that the CIA profiles are significantly distorted above densities of 0.1 {{g}} {{cm}}-3 in a way that is not captured by the existing models. The roto-translational band is enhanced and shifted to higher frequencies as an effect of the decrease of the interatomic separation of the H2 molecule. The vibrational band is blueward shifted and split into Q R and Q P branches, separated by a pronounced interference dip. Its intensity is also substantially reduced. The distortions result in a shift of the maximum of the absorption from 2.3 μm to 3-7 μm, which could potentially explain the spectra of some very cool, helium-rich white dwarfs.

  15. Microwave absorption studies of MgB 2 superconductor

    Indian Academy of Sciences (India)

    Microwave absorption studies have been carried out on MgB2 superconductor using a standard X-band EPR spectrometer. The modulated low-field microwave absorption signals recorded for polycrystalline (grain size ∼ 10m) samples suggested the absence of weak-link character. The field dependent direct microwave ...

  16. UV- Radiation Absorption by Ozone in a Model Atmosphere using ...

    African Journals Online (AJOL)

    UV- radiation absorption is studied through variation of ozone transmittance with altitude in the atmosphere for radiation in the 9.6μm absorption band using Goody's model atmosphere with cubic spline interpolation technique to improve the quality of the curve. The data comprising of pressure and temperature at different ...

  17. The high overtone and combination levels of SF6 revisited at Doppler-limited resolution: A global effective rovibrational model for highly excited vibrational states

    Science.gov (United States)

    Faye, M.; Boudon, V.; Loëte, M.; Roy, P.; Manceron, L.

    2017-03-01

    Sulfur hexafluoride is an important prototypal molecule for modeling highly excited vibrational energy flow and multi quanta absorption processes in hexafluoride molecules of technological importance. It is also a strong greenhouse gas of anthropogenic origin. This heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v6=1 vibrational state. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 120 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectra of the 2ν1 +ν3 , ν1 +ν2 +ν3 , ν1 +ν3 , ν2 +ν3 , 3ν3, ν2 + 3ν3 and ν1 + 3ν3 from 2000 to 4000 cm-1 near-infrared region has been recorded. Low temperature was used to limit the presence of hot bands. The spectrum has been analyzed thanks to the XTDS software package. Combining with previously observed weak difference bands in the far infrared region involving the v1, v2, v3=1 states, we are thus able to use the tensorial model to build a global fit of spectroscopic parameters for v1=1,2, v2=1, v3=1,2,3. The model constitutes a consistent set of molecular parameters and enable spectral rovibrational simulation for all multi-quanta transitions involving v1, v2 and v3 up to v1-3 = 3 . Tests simulation on rovibrational transitions not yet rovibrationally assigned are presented and compared to new experimental data.

  18. CO laser photoacoustic spectra and vibrational modes of heroin ...

    Indian Academy of Sciences (India)

    Abstract. Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 µm and 10.6 µm regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with ...

  19. laser photoacoustic spectra and vibrational modes of heroin ...

    Indian Academy of Sciences (India)

    Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 m and 10.6 m regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low ...

  20. Vibrations and Stability

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    About this textbook An ideal text for students that ties together classical and modern topics of advanced vibration analysis in an interesting and lucid manner. It provides students with a background in elementary vibrations with the tools necessary for understanding and analyzing more complex...... dynamical phenomena that can be encountered in engineering and scientific practice. It progresses steadily from linear vibration theory over various levels of nonlinearity to bifurcation analysis, global dynamics and chaotic vibrations. It trains the student to analyze simple models, recognize nonlinear...... phenomena and work with advanced tools such as perturbation analysis and bifurcation analysis. Explaining theory in terms of relevant examples from real systems, this book is user-friendly and meets the increasing interest in non-linear dynamics in mechanical/structural engineering and applied mathematics...

  1. The vibration discomfort of standing people: evaluation of multi-axis vibration.

    Science.gov (United States)

    Thuong, Olivier; Griffin, Michael J

    2015-01-01

    Few studies have investigated discomfort caused by multi-axis vibration and none has explored methods of predicting the discomfort of standing people from simultaneous fore-and-aft, lateral and vertical vibration of a floor. Using the method of magnitude estimation, 16 subjects estimated their discomfort caused by dual-axis and tri-axial motions (octave-bands centred on either 1 or 4 Hz with various magnitudes in the fore-and-aft, lateral and vertical directions) and the discomfort caused by single-axis motions. The method of predicting discomfort assumed in current standards (square-root of the sums of squares of the three components weighted according to their individual contributions to discomfort) provided reasonable predictions of the discomfort caused by multi-axis vibration. Improved predictions can be obtained for specific stimuli, but no single simple method will provide accurate predictions for all stimuli because the rate of growth of discomfort with increasing magnitude of vibration depends on the frequency and direction of vibration.

  2. Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H(+)(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory.

    Science.gov (United States)

    Duong, Chinh H; Gorlova, Olga; Yang, Nan; Kelleher, Patrick J; Johnson, Mark A; McCoy, Anne B; Yu, Qi; Bowman, Joel M

    2017-08-17

    Vibrational spectroscopy of the protonated water trimer provides a stringent constraint on the details of the potential energy surface (PES) and vibrational dynamics governing excess proton motion far from equilibrium. Here we report the linear spectrum of the cold, bare H(+)(H2O)3 ion using a two-color, IR-IR photofragmentation technique and follow the evolution of the bands with increasing ion trap temperature. The key low-energy features are insensitive to both D2 tagging and internal energy. The D2-tagged D(+)(D2O)3 spectrum is reported for the first time, and the isotope dependence of the band pattern is surprisingly complex. These spectra are reproduced by large-scale vibrational configuration interaction calculations based on a new full-dimensional PES, which treat the anharmonic effects arising from large amplitude motion. The results indicate such extensive mode mixing in both isotopologues that one should be cautious about assigning even the strongest features to particular motions, especially for the absorptions that occur close to the intramolecular bending mode of the water molecule.

  3. Vibrational spectra and normal coordinate analysis of methyl thionitrite and isotopic analogs

    Science.gov (United States)

    Byler, D. Michael; Susi, Heino

    1981-11-01

    The observed gas-phase IR frequencies for forty-four fundamentals of methyl thionitrite (CH 3SNO) and its d 3-, 13C-, and 15N-substituted analogs have been used to calculate a nineteen-parameter symmetry valence force field. The final refinement resulted in an average error of less than 4 cm -1 (~0.5%) between the calculated and observed frequencies for the four isotopomers. Contrary to earlier reports, relative intensities, isotopic frequency shifts, as well as the calculated potential-energy distribution, all support the assignment of v(CS) to a higher frequency than that of v(SN). For the normal molecule, v(CS) is observed as a weak band at 735 cm -1; by contrast, v(SN) absorbs strongly at 646 cm -1. The NO stretching fundamental occurs at 1535 cm -1 in the gas-phase spectrum of the unsubstituted molecule but shifts to 1507 cm -1 when 15N replaces the normal isotope. The five fundamental bands associated with the skeletal vibrations of CH 3SNO are compared with the analogous absorptions in the spectra of CF 3SNO and CH 3ONO.

  4. Quantitative IR Spectrum and Vibrational Assignments for Glycolaldehyde Vapor: Glycolaldehyde Measurements in Biomass Burning Plumes

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Timothy J.; Sams, Robert L.; Profeta, Luisa T.; Akagi, Sheryl; Burling, Ian R.; Yokelson, Robert J.; Williams, Stephen D.

    2013-04-15

    Glycolaldehyde (GA, 2-hydroxyethanal, C2H4O2) is a semi-volatile molecule of atmospheric importance, recently proposed as a precursor in the formation of aqueous-phase secondary organic aerosol (SOA). There are few methods to measure glycolaldehyde vapor, but infrared spectroscopy has been used successfully. Using vetted protocols we have completed the first assignment of all fundamental vibrational modes and derived quantitative IR absorption band strengths using both neat and pressure-broadened GA vapor. Even though GA is problematic due to its propensity to both dimerize and condense, our intensities agree well with the few previously published values. Using the reference ν10 band Q-branch at 860.51 cm-1, we have also determined GA mixing ratios in biomass burning plumes generated by field and laboratory burns of fuels from the southeastern and southwestern United States, including the first field measurements of glycolaldehyde in smoke. The GA emission factors were anti-correlated with modified combustion efficiency confirming release of GA from smoldering combustion. The GA emission factors (g of GA emitted per kg dry biomass burned on a dry mass basis) had a low dependence on fuel type consistent with the production mechanism being pyrolysis of cellulose. GA was emitted at 0.23 ± 0.13% of CO from field fires and we calculate that it accounts for ~18% of the aqueous-phase SOA precursors that we were able to measure.

  5. Optical absorption and fluorescence properties of Er in sodium ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Spectroscopic properties of Er3+ ions in sodium borate glass have been studied. The indirect and direct optical band gaps (Eopt) and energy level parameters (Racah (E1, E2 and E3), spin-orbit (ξ4f) and con- figurational interaction (α)) are evaluated. Spectral intensities for various absorption bands of Er3+ doped.

  6. Non-equilibrium and band tailing in organic conductors

    Indian Academy of Sciences (India)

    Band tailing; organic conductors; IR spectra; electrical resistivity. Abstract. The concept of band tailing with focal point and width of the tail from IR absorption spectra of different organic conductors is found valid even for thermal and elastic changes. The experimental situations like change of solvents, method of preparation, ...

  7. Vibrational relaxation of the bending mode of HDO in liquid D2O.

    Science.gov (United States)

    Bodis, Pavol; Larsen, Olaf F A; Woutersen, Sander

    2005-06-23

    The vibrational relaxation of the bending mode of HDO in liquid D2O has been studied using time-resolved mid-infrared pump-probe spectroscopy. At short delays, the transient spectrum clearly shows the v = 1 --> 2 induced absorption and v = 1 --> 0 bleaching and stimulated emission, whereas at long delays, the transient spectrum is dominated by the spectral changes caused by the temperature increase in the sample after vibrational relaxation. From the decay of the v = 1 --> 2 induced absorption, we obtain an estimate of 390 +/- 50 fs for the vibrational lifetime, in surprisingly good agreement with recent theoretical predictions. In the v = 0 --> 1 frequency region, the decay of the absorption change involves a second, slower component, which suggests that after vibrational relaxation the system is not yet in thermal equilibrium.

  8. DFT studies on the vibrational and electronic spectra of acetylsalicylic acid

    Science.gov (United States)

    Ye, Yunfeng; Tang, Guodong; Han, Yonghong; Culnane, Lance F.; Zhao, Jianyin; Zhang, Yu

    2016-05-01

    The following is a theoretical and experimental study on the vibrational and electronic properties of acetylsalicylic acid (ASA). Vibrational information was obtained by FT-IR and Raman spectroscopy which agree well with harmonic vibrational frequency calculations. The calculations were carried out using density functional theory B3LYP methods with 6-311G** and LANL2DZ basis sets. The vibrational assignments were calculated by Gaussview. Absorption UV-Vis experiments of ASA reveal three maximum peaks at 203, 224 and 277 nm, which are in agreement with calculated electronic transitions using TD-B3LYP/6-311G**.

  9. Vibrational Action Spectroscopy of Solids: New Surface-Sensitive Technique

    Science.gov (United States)

    Wu, Zongfang; Płucienik, Agata; Feiten, Felix E.; Naschitzki, Matthias; Wachsmann, Walter; Gewinner, Sandy; Schöllkopf, Wieland; Staemmler, Volker; Kuhlenbeck, Helmut; Freund, Hans-Joachim

    2017-09-01

    Vibrational action spectroscopy employing infrared radiation from a free-electron laser has been successfully used for many years to study the vibrational and structural properties of gas phase aggregates. Despite the high sensitivity of this method no relevant studies have yet been conducted for solid sample surfaces. We have set up an experiment for the application of this method to such targets, using infrared light from the free-electron laser of the Fritz Haber Institute. In this Letter, we present first results of this technique with adsorbed argon and neon atoms as messengers. We were able to detect surface-located vibrations of a thin V2O3(0 0 0 1 ) film on Au(111) as well as adsorbate vibrations, demonstrating that this method is highly surface sensitive. We consider that the dominant channel for desorption of the messenger atoms is direct inharmonic vibrational coupling, which is essentially insensitive to subsurface or bulk vibrations. Another channel is thermal desorption due to sample heating by absorption of infrared light. The high surface sensitivity of the nonthermal channel and its insensitivity to subsurface modes makes this technique an ideal tool for the study of surface-located vibrations.

  10. Analogue of electromagnetically induced absorption with double absorption windows in a plasmonic system.

    Directory of Open Access Journals (Sweden)

    Nianfa Zhong

    Full Text Available We report the observation of an analog of double electromagnetically induced absorption (EIA in a plasmonic system consisting of two disk resonators side-coupled to a discrete metal-insulator-metal (MIM waveguide. The finite-difference time-domain (FDTD simulation calculations show that two absorption windows are obtained and can be easily tuned by adjusting the parameters of the two resonance cavities. The consistence between the coupled-model theory and FDTD simulation results verify the feasibility of the proposed system. Since the scheme is easy to be fabricated, our proposed configuration may thus be applied to narrow-band filtering, absorptive switching, and absorber applications.

  11. Do whole-body vibrations affect spatial hearing?

    Science.gov (United States)

    Frissen, Ilja; Guastavino, Catherine

    2014-01-01

    To assist the human operator, modern auditory interfaces increasingly rely on sound spatialisation to display auditory information and warning signals. However, we often operate in environments that apply vibrations to the whole body, e.g. when driving a vehicle. Here, we report three experiments investigating the effect of sinusoidal vibrations along the vertical axis on spatial hearing. The first was a free-field, narrow-band noise localisation experiment with 5- Hz vibration at 0.88 ms(-2). The other experiments used headphone-based sound lateralisation tasks. Experiment 2 investigated the effect of vibration frequency (4 vs. 8 Hz) at two different magnitudes (0.83 vs. 1.65 ms(-2)) on a left-right discrimination one-interval forced-choice task. Experiment 3 assessed the effect on a two-interval forced-choice location discrimination task with respect to the central and two peripheral reference locations. In spite of the broad range of methods, none of the experiments show a reliable effect of whole-body vibrations on localisation performance. We report three experiments that used both free-field localisation and headphone lateralisation tasks to assess their sensitivity to whole-body vibrations at low frequencies. None of the experiments show a reliable effect of either frequency or magnitude of whole-body vibrations on localisation performance.

  12. Optical absorptions and Raman scattering of metalloporphycenes reveal electronic and vibronic properties distinct from those of metalloporphyrins

    Energy Technology Data Exchange (ETDEWEB)

    Oertling, W.A.; Wu, Weishih; Lopez-Garriga, J.J.; Kim, Younkyoo; Chang, Chi, K. (Michigan State Univ., East Lansing (USA))

    1991-01-02

    The newly synthesized metalloporphycenes represent a class of molecules that are structural isomers of metalloporphyrins. In particular, the Ni{sup II} and Cu{sup II} complexes of 2,7,12,17-tetrapropylporphycene (NiPPC and CuPPC) display UV-visible absorption and resonance Raman (RR) spectra superficially like those of analogous complexes of octaethylporphyrin (OEP). However, close examination of absorption band positions and spectral shifts caused by metal substitution and ring bromination, as well as relative oscillator strengths, suggest that, unlike those of metalloporphyrins, the {pi} {yields} {pi}* states of NiPPC and CuPPC are adequately defined by one-electron wave functions. Thus, the {pi}-electron configuration interaction that gives rise to Gouterman's Q and B metalloporphyrin excited states is weak in metalloporphycenes. Rather, these novel complexes appear to be a near-perfect example of Platt's long-field molecules. Raman spectra in resonance with the major absorptions of CuPPC show little evidence of Jahn-Teller or Herzber-Teller coupling. Thus, the rich vibronic coupling present in metalloporphyrins giving rise to the celebrated anomalously polarized scattering most likely does not complicate the spectra of metalloporphycenes. Vibrational analyses of RR spectra of specifically deuterated derivatives of NiPPC give some insight into the normal mode compositions.

  13. Multi-band metamaterial absorber using cave-cross resonator

    Science.gov (United States)

    Cheng, Y. Z.; Nie, Y.; Gong, R. Z.; Yang, H. L.

    2011-12-01

    Multi-band metamaterial absorber (MA) was proposed at the microwave frequency ranges, which were composed of cave-cross resonator (CCR) with different geometric dimensions, dielectric substrate and continuous metal film. Microwave experiments demonstrated the maximum absorptivity of single CCR structure to be about 99% around 9 GHz. Numerical simulations confirm that the MA could achieve very high absorptivity at wide angles of incidence for both transverse electric (TE) wave and transverse magnetic (TM) wave. Importantly, numerical simulations demonstrate that the MA could achieve perfect multi-band absorption by assembling the multi-CCR structure with different geometric parameters in a coplanar.

  14. Dual band metamaterial perfect absorber based on Mie resonances

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoming; Lan, Chuwen; Li, Bo; Zhou, Ji, E-mail: zhouji@tsinghua.edu.cn [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Bi, Ke [School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Zhao, Qian [State Key Lab of Tribology, Department of Precision Instruments and Mechanology, Tsinghua University, Beijing 100084 (China)

    2016-08-08

    We numerically and experimentally demonstrated a polarization insensitive dual-band metamaterial perfect absorber working in wide incident angles based on the two magnetic Mie resonances of a single dielectric “atom” with simple structure. Two absorption bands with simulated absorptivity of 99% and 96%, experimental absorptivity of 97% and 94% at 8.45 and 11.97 GHz were achieved due to the simultaneous magnetic and electric resonances in dielectric “atom” and copper plate. Mie resonances of dielectric “atom” provide a simple way to design metamaterial perfect absorbers with high symmetry.

  15. Interaction of spin and vibrations in transport through single-molecule magnets

    Directory of Open Access Journals (Sweden)

    Falk May

    2011-10-01

    Full Text Available We study electron transport through a single-molecule magnet (SMM and the interplay of its anisotropic spin with quantized vibrational distortions of the molecule. Based on numerical renormalization group calculations we show that, despite the longitudinal anisotropy barrier and small transverse anisotropy, vibrational fluctuations can induce quantum spin-tunneling (QST and a QST-Kondo effect. The interplay of spin scattering, QST and molecular vibrations can strongly enhance the Kondo effect and induce an anomalous magnetic field dependence of vibrational Kondo side-bands.

  16. Infrared absorption spectroscopy of carbon monoxide on nickel films: a low temperature thermal detection technique

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, R.B.

    1978-11-01

    Sensitive vibrational spectra of carbon monoxide molecules adsorbed on evaporated nickel films have been measured by attaching a thermometer to the sample, cooling the assembly to liquid helium temperatures, and recording the temperature changes which occur when infrared radiation is absorbed. The measurements are made in an ultrahigh vacuum chamber in which the sample surface can be cleaned, heated, exposed to gas molecules and cooled to 1.6 K for the infrared measurements. The spectra of chemisorbed CO molecules are interpreted in terms of the linear and bridge adsorption sites on the nickel surface, and they show how the distribution of molecules among these sites changes when the CO coverage increases and intermolecular forces become important. The spectra of physically adsorbed molecules in both monolayer and multilayer films are also reported. Absorptions as small as five parts in 10/sup 5/ of the incident radiation can presently be detected in spectra covering broad bands of infrared frequencies with a resolution of 2 cm/sup -1/. This high sensitivity is attributable to the low noise and reduced background signal of the thermal detection scheme, to the stability of the rapid scan Fourier transform infrared spectrometer, and to the automated computerized data acquisition electronics. Better performance is expected in future experiments on single crystal samples as well as evaporated films. This will make it possible to study molecules with weaker absorptions than CO and to look for evidence of chemical reactions between different adsorbed molecules.

  17. Synthesis, physical and microwave absorption properties of Barium ferrite - P(VDF-TrFE) nanocomposites

    Science.gov (United States)

    Gutiérrez, Jon; Miren Gutiérrez Muto, Ane; Peña, Alazne; San Sebastián, Maria; Catarina Lopes, Ana; Lezama, Luis; Gil de Muro, Izaskun; Larrañaga, A.; Orue, I.

    2017-12-01

    We present results concerning the synthesis, magnetic, dielectric and microwave absorption properties of BaFe12O19 / P(VDF-TrFE) nanocomposites. First, barium ferrite nanopowders were prepared by the hydrothermal synthesis method. Structural and morphological properties of the prepared powders were investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM), showing as result a good quality spherical plus platelet-like shaped nanoparticles. Afterwards, composite films with filler nanoparticles of barium ferrite BaFe12O19 (BaFO, nominal 5-20 wt.%) dispersed within P(VDF-TrFE) acting as polymeric matrix have been prepared by solvent evaporation. Magnetic properties were examined by the vibrating sample magnetometry (VSM), and a direct comparison of results obtained for the composites respect to the pure nanopowder allow us to obtain the true nanofiller content value, different from the initially nominal one. Dielectric properties have been measured up to 2 MHz and show the typical behaviour of Maxwell-Wagner type interfacial polarization. From 10 kHz up, permittivity of the composites remains almost unchanged, with values that show a smooth increase as the %wt. of BaFe12O19 does. Finally, microwave absorption properties were analyzed by using ESR technique operating at X-band. All obtained results are discussed in terms of size and quantity of the composites BaFe12O19 filler nanoparticles.

  18. Ozone absorption spectroscopy in search of low-lying electronic states

    Science.gov (United States)

    Anderson, S. M.; Mauersberger, K.

    1995-01-01

    A spectrometer capable of detecting ozone absorption features 9 orders of magnitude weaker than the Hartley band has been employed to investigate the molecule's near-infrared absorption spectrum. At this sensitivity a wealth of information on the low-lying electronically excited states often believed to play a role in atmospheric chemistry is available in the form of vibrational and rotational structure. We have analyzed these spectra using a combination of digital filtering and isotope substitution and find evidence for three electronically excited states below 1.5 eV. The lowest of these states is metastable, bound by approximately 0.1 eV and probably the (3)A2 rather than the (3)B2 state. Its adiabatic electronic energy is 1.24 +/- 0.01 eV, slightly above the dissociation energy of the ground state. Two higher states, at 1.29 +/- 0.03 and 1.48 +/- 0.03 eV are identified as the (3)B2 and the (3)B1, respectively. Combined with other recent theoretical and experimental data on the low-lying electronic states of ozone, these results imply that these are, in fact, the lowest three excited states; that is, there are no electronically excited states of ozone lying below the energy of O(3P) + O2((3)Sigma(-), v = 0). Some of the implications for atmospheric chemistry are considered.

  19. Anisotropy of infrared absorption in (110) porous silicon layers

    Energy Technology Data Exchange (ETDEWEB)

    Timoshenko, V. Yu.; Osminkina, L.A.; Efimova, A.I.; Fomenko, M.A.; Golovan, L.A.; Kashkarov, P.K. [Moscow State M. V. Lomonosov University, Physics Department, 119992 Moscow (Russian Federation); Kovalev, D.; Kuenzner, N.; Gross, E.; Diener, J.; Koch, F. [Technische Universitaet Muenchen, Physik-Department E16, 85747 Garching (Germany)

    2005-06-01

    In-plane birefringent porous Si (PSi) layers formed from heavily boron-doped (110)Si wafers are investigated by using polarization-resolved infrared absorption (IR) spectroscopy. The absorption by free charge carriers and by Si-H{sub x} (x=1,2,3) surface bond vibrations are found to exhibit strong anisotropy (dichroism), which originates from the form anisotropy of Si nanocrystals assembling (110)PSi layers. The free carrier absorption dichroism is explained by using the effective medium approximation and classical Drude model and considering additional carrier scattering in anisotropically shaped Si nanocrystals. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Vibrational Investigations of Silver-Doped Hydroxyapatite with Antibacterial Properties

    Directory of Open Access Journals (Sweden)

    Carmen Steluta Ciobanu

    2013-01-01

    Full Text Available Silver-doped hydroxyapatite (Ag:HAp was obtained by coprecipitation method. Transmission electron microscopy (TEM, infrared, and Raman analysis confirmed the development of Ag:HAp with good crystal structure. Transmission electron microscopy analysis showed an uniform ellipsoidal morphology with particles from 5 nm to 15 nm. The main vibrational bands characteristic to HAp were identified. The bands assigned to phosphate vibrational group were highlighted in infrared and Raman spectra. The most intense peak Raman spectrum is the narrow band observed at 960 cm−1. In this article Ag:HAp-NPs were also evaluated for their antimicrobial activities against gram-positive, gram-negative, and fungal strains. The specific antimicrobial activity revealed by the qualitative assay demonstrates that our compounds are interacting differently with the microbial targets.

  1. D-xylose absorption

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/003606.htm D-xylose absorption To use the sharing features on this page, please enable JavaScript. D-xylose absorption is a laboratory test to determine ...

  2. Distinct enhancement of sub-bandgap photoresponse through intermediate band in high dose implanted ZnTe:O alloys

    Science.gov (United States)

    Li, Jing; Ye, Jiandong; Ren, Fangfang; Tang, Dongming; Yang, Yi; Tang, Kun; Gu, Shulin; Zhang, Rong; Zheng, Youdou

    2017-03-01

    The demand for high efficiency intermediate band (IB) solar cells is driving efforts in producing high quality IB photovoltaic materials. Here, we demonstrate ZnTe:O highly mismatched alloys synthesized by high dose ion implantation and pulsed laser melting exhibiting optically active IB states and efficient sub-gap photoresponse, as well as investigate the effect of pulsed laser melting on the structural and optical recovery in detail. The structural evolution and vibrational dynamics indicates a significant structural recovery of ZnTe:O alloys by liquid phase epitaxy during pulsed laser melting process, but laser irradiation also aggravates the segregation of Te in ZnTe:O alloys. A distinct intermediate band located at 1.8 eV above valence band is optically activated as evidenced by photoluminescence, absorption and photoresponse characteristics. The carrier dynamics indicates that carriers in the IB electronic states have a relatively long lifetime, which is beneficial for the fast separation of carriers excited by photons with sub-gap energy and thus the improved overall conversion efficiency. The reproducible capability of implantation and laser annealing at selective area enable the realization of high efficient lateral junction solar cells, which can ensure extreme light trapping and efficient charge separation.

  3. Broadband transient absorption spectroscopy with 1- and 2-photon excitations: Relaxation paths and cross sections of a triphenylamine dye in solution

    Energy Technology Data Exchange (ETDEWEB)

    Moreno, J.; Dobryakov, A. L.; Hecht, S., E-mail: sh@chemie.hu-berlin.de, E-mail: skovale@chemie.hu-berlin.de; Kovalenko, S. A., E-mail: sh@chemie.hu-berlin.de, E-mail: skovale@chemie.hu-berlin.de [Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-St. 2, 12489 Berlin (Germany); Ioffe, I. N. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Granovsky, A. A. [Firefly Project, 117593 Moscow (Russian Federation)

    2015-07-14

    1-photon (382 nm) and 2-photon (752 nm) excitations to the S{sub 1} state are applied to record and compare transient absorption spectra of a push-pull triphenylamine (TrP) dye in solution. After 1-photon excitation, ultrafast vibrational and structural molecular relaxations are detected on a 0.1 ps time scale in nonpolar hexane, while in polar acetonitrile, the spectral evolution is dominated by dipolar solvation. Upon 2-photon excitation, transient spectra in hexane reveal an unexpected growth of stimulated emission (SE) and excited-state absorption (ESA) bands. The behavior is explained by strong population transfer S{sub 1} → S{sub n} due to resonant absorption of a third pump photon. Subsequent S{sub n} → S{sub 1} internal conversion (with τ{sub 1} = 1 ps) prepares a very hot S{sub 1} state which cools down with τ{sub 2} = 13 ps. The pump pulse energy dependence proves the 2-photon origin of the bleach signal. At the same time, SE and ESA are strongly affected by higher-order pump absorptions that should be taken into account in nonlinear fluorescence applications. The 2-photon excitation cross sections σ{sup (2)} = 32 ⋅ 10{sup −50} cm{sup 4} s at 752 nm are evaluated from the bleach signal.

  4. Band structure of semiconductors

    CERN Document Server

    Tsidilkovski, I M

    2013-01-01

    Band Structure of Semiconductors provides a review of the theoretical and experimental methods of investigating band structure and an analysis of the results of the developments in this field. The book presents the problems, methods, and applications in the study of band structure. Topics on the computational methods of band structure; band structures of important semiconducting materials; behavior of an electron in a perturbed periodic field; effective masses and g-factors for the most commonly encountered band structures; and the treatment of cyclotron resonance, Shubnikov-de Haas oscillatio

  5. Band warping, band non-parabolicity, and Dirac points in electronic and lattice structures

    Science.gov (United States)

    Resca, Lorenzo; Mecholsky, Nicholas A.; Pegg, Ian L.

    2017-10-01

    We illustrate at a fundamental level the physical and mathematical origins of band warping and band non-parabolicity in electronic and vibrational structures. We point out a robust presence of pairs of topologically induced Dirac points in a primitive-rectangular lattice using a p-type tight-binding approximation. We analyze two-dimensional primitive-rectangular and square Bravais lattices with implications that are expected to generalize to more complex structures. Band warping is shown to arise at the onset of a singular transition to a crystal lattice with a larger symmetry group, which allows the possibility of irreducible representations of higher dimensions, hence band degeneracy, at special symmetry points in reciprocal space. Band warping is incompatible with a multi-dimensional Taylor series expansion, whereas band non-parabolicities are associated with multi-dimensional Taylor series expansions to all orders. Still band non-parabolicities may merge into band warping at the onset of a larger symmetry group. Remarkably, while still maintaining a clear connection with that merging, band non-parabolicities may produce pairs of conical intersections at relatively low-symmetry points. Apparently, such conical intersections are robustly maintained by global topology requirements, rather than any local symmetry protection. For two p-type tight-binding bands, we find such pairs of conical intersections drifting along the edges of restricted Brillouin zones of primitive-rectangular Bravais lattices as lattice constants vary relatively to each other, until these conical intersections merge into degenerate warped bands at high-symmetry points at the onset of a square lattice. The conical intersections that we found appear to have similar topological characteristics as Dirac points extensively studied in graphene and other topological insulators, even though our conical intersections have none of the symmetry complexity and protection afforded by the latter more

  6. Aerosol Absorption Measurements in MILAGRO.

    Science.gov (United States)

    Gaffney, J. S.; Marley, N. A.; Arnott, W. P.; Paredes-Miranda, L.; Barnard, J. C.

    2007-12-01

    During the month of March 2006, a number of instruments were used to determine the absorption characteristics of aerosols found in the Mexico City Megacity and nearby Valley of Mexico. These measurements were taken as part of the Department of Energy's Megacity Aerosol Experiment - Mexico City (MAX-Mex) that was carried out in collaboration with the Megacity Interactions: Local and Global Research Observations (MILAGRO) campaign. MILAGRO was a joint effort between the DOE, NSF, NASA, and Mexican agencies aimed at understanding the impacts of a megacity on the urban and regional scale. A super-site was operated at the Instituto Mexicano de Petroleo in Mexico City (designated T-0) and at the Universidad Technologica de Tecamac (designated T-1) that was located about 35 km to the north east of the T-0 site in the State of Mexico. A third site was located at a private rancho in the State of Hidalgo approximately another 35 km to the northeast (designated T-2). Aerosol absorption measurements were taken in real time using a number of instruments at the T-0 and T-1 sites. These included a seven wavelength aethalometer, a multi-angle absorption photometer (MAAP), and a photo-acoustic spectrometer. Aerosol absorption was also derived from spectral radiometers including a multi-filter rotating band spectral radiometer (MFRSR). The results clearly indicate that there is significant aerosol absorption by the aerosols in the Mexico City megacity region. The absorption can lead to single scattering albedo reduction leading to values below 0.5 under some circumstances. The absorption is also found to deviate from that expected for a "well-behaved" soot anticipated from diesel engine emissions, i.e. from a simple 1/lambda wavelength dependence for absorption. Indeed, enhanced absorption is seen in the region of 300-450 nm in many cases, particularly in the afternoon periods indicating that secondary organic aerosols are contributing to the aerosol absorption. This is likely due

  7. Cermet based metamaterials for multi band absorbers over NIR to LWIR frequencies

    Science.gov (United States)

    Pradhan, Jitendra K.; Behera, Gangadhar; Agarwal, Amit K.; Ghosh, Amitava; Ramakrishna, S. Anantha

    2017-06-01

    Cermets or ceramic-metals are known for their use in solar thermal technologies for their absorption across the solar band. Use of cermet layers in a metamaterial perfect absorber allows for flexible control of infra-red absorption over the short wave infra-red, to long wave infra-red bands, while keeping the visible/near infra-red absorption properties constant. We design multilayered metamaterials consisting of a conducting ground plane, a low metal volume fraction cermet/ZnS as dielectric spacer layers, and a top structured layer of an array of circular discs of metal/high volume metal fraction cermet that give rise to specified absorption bands in the near-infra-red (NIR) frequencies, as well as any specified band at SWIR-LWIR frequencies. Thus, a complete decoupling of the absorption at optical/NIR frequencies and the infra-red absorption behaviour of a structured metamaterial is demonstrated.

  8. Development of a semi-active dynamic vibration absorber for longitudinal vibration of propulsion shaft system based on magnetorheological elastomer

    Science.gov (United States)

    Liu, Gaoyu; Lu, Kun; Zou, Donglin; Xie, Zhongliang; Rao, Zhushi; Ta, Na

    2017-07-01

    The control of the longitudinal pulsating force and the vibration generated is very important to improve the stealth performance of a submarine. Magnetorheological elastomer (MRE) is a kind of intelligent composite material, whose mechanical properties can be continuously, rapidly and reversibly controlled by an external magnetic field. It can be used as variable-stiffness components in the design of a semi-active dynamic vibration absorber (SDVA), which is one of the effective means of longitudinal vibration control. In this paper, an SDVA is designed based on the MRE’s magnetic-induced variable stiffness characteristic. Firstly, a mechanical model of the propulsion shaft system with the SDVA is proposed, theoretically discussed and numerically validated. Then, the mechanical performance of the MRE under different magnetic fields is tested. In addition, the magnetic circuit and the overall structure of the SDVA are designed. Furthermore, electromagnetic and thermodynamic simulations are carried out to guarantee the structural design. The frequency shift property of the SDVA is found through dynamic simulations and validated by a frequency shift experiment. Lastly, the vibration absorption capacity of the SDVA is investigated. The results show that the magnetorheological effect of the MRE and the frequency shift of the SDVA are obvious; the SDVA has relatively acceptable vibration absorption capacity.

  9. Analytical design and evaluation of an active control system for helicopter vibration reduction and gust response alleviation

    Science.gov (United States)

    Taylor, R. B.; Zwicke, P. E.; Gold, P.; Miao, W.

    1980-01-01

    An analytical study was conducted to define the basic configuration of an active control system for helicopter vibration and gust response alleviation. The study culminated in a control system design which has two separate systems: narrow band loop for vibration reduction and wider band loop for gust response alleviation. The narrow band vibration loop utilizes the standard swashplate control configuration to input controller for the vibration loop is based on adaptive optimal control theory and is designed to adapt to any flight condition including maneuvers and transients. The prime characteristics of the vibration control system is its real time capability. The gust alleviation control system studied consists of optimal sampled data feedback gains together with an optimal one-step-ahead prediction. The prediction permits the estimation of the gust disturbance which can then be used to minimize the gust effects on the helicopter.

  10. A MEMS vibration energy harvester for automotive applications

    Science.gov (United States)

    van Schaijk, R.; Elfrink, R.; Oudenhoven, J.; Pop, V.; Wang, Z.; Renaud, M.

    2013-05-01

    The objective of this work is to develop MEMS vibration energy harvesters for tire pressure monitoring systems (TPMS), they can be located on the rim or on the inner-liner of the car tire. Nowadays TPMS modules are powered by batteries with a limited lifetime. A large effort is ongoing to replace batteries with small and long lasting power sources like energy harvesters [1]. The operation principle of vibration harvesters is mechanical resonance of a seismic mass, where mechanical energy is converted into electrical energy. In general, vibration energy harvesters are of specific interest for machine environments where random noise or repetitive shock vibrations are present. In this work we present the results for MEMS based vibration energy harvesting for applying on the rim or inner-liner. The vibrations on the rim correspond to random noise. A vibration energy harvester can be described as an under damped mass-spring system acting like a mechanical band-pass filter, and will resonate at its natural frequency [2]. At 0.01 g2/Hz noise amplitude the average power can reach the level that is required to power a simple wireless sensor node, approximately 10 μW [3]. The dominant vibrations on the inner-liner consist mainly of repetitive high amplitude shocks. With a shock, the seismic mass is displaced, after which the mass will "ring-down" at its natural resonance frequency. During the ring-down period, part of the mechanical energy is harvested. On the inner-liner of the tire repetitive (one per rotation) high amplitude (few hundred g) shocks occur. The harvester enables an average power of a few tens of μW [4], sufficient to power a more sophisticated wireless sensor node that can measure additional tire-parameters besides pressure. In this work we characterized MEMS vibration energy harvesters for noise and shock excitation. We validated their potential for TPMS modules by measurements and simulation.

  11. Dual band metamaterial perfect absorber based on artificial dielectric “molecules”

    Science.gov (United States)

    Liu, Xiaoming; Lan, Chuwen; Li, Bo; Zhao, Qian; Zhou, Ji

    2016-01-01

    Dual band metamaterial perfect absorbers with two absorption bands are highly desirable because of their potential application areas such as detectors, transceiver system, and spectroscopic imagers. However, most of these dual band metamaterial absorbers proposed were based on resonances of metal patterns. Here, we numerically and experimentally demonstrate a dual band metamaterial perfect absorber composed of artificial dielectric “molecules” with high symmetry. The artificial dielectric “molecule” consists of four “atoms” of two different sizes corresponding to two absorption bands with near unity absorptivity. Numerical and experimental absorptivity verify that the dual-band metamaterial absorber is polarization insensitive and can operate in wide-angle incidence. PMID:27406699

  12. Bumblebee vibration activated foraging

    OpenAIRE

    Su, Dan Kuan-Nien

    2009-01-01

    The ability use vibrational signals to activate nestmate foraging is found in the highly social bees, stingless bees and honey bees, and has been hypothesized to exist in the closely related, primitively eusocial bumble bees. We provide the first strong and direct evidence that this is correct. Inside the nest, bumble bee foragers produce brief bursts of vibration (foraging activation pulses) at 594.5 Hz for 63±26 ms (velocityRMS=0.46±0.02mm/s, forceRMS=0.8±0.2 mN. Production of these vibrati...

  13. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...... work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

  14. Vibrations and waves

    CERN Document Server

    Kaliski, S

    2013-01-01

    This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

  15. Vibronic energy map and excited state vibrational characteristics of magnesium myoglobin determined by energy-selective fluorescence.

    OpenAIRE

    Kaposi, A D; Vanderkooi, J. M.

    1992-01-01

    The vibrational frequencies of the singlet excited state of Mg-substituted myoglobin and relative absorption probabilities were determined by fluorescence line-narrowing spectroscopy. These spectra contain information on the structure of the excited state species, and the availability of vibrationally resolved spectra from excited state biomolecules should aid in elucidating their structure and reactivity.

  16. Effect of Spindle Parameters of Woodworking Band Saw on the AE Value of Crack Band Saw Blade in Compound Material Processing (1)

    Science.gov (United States)

    Gao, Jin-gui; Jiang, Zhao-fang; Luo, Lai-peng

    2017-04-01

    Taking the MJ3210A motion band saw as the research object, the AE value of the band saw blade vibration was obtained by analyzing the VIBSYS vibration signal acquisition and analysis software system in Beijing, and the change of the AE value of the band saw and the crack was found out. The experimental results show that in the MJ3210A sports car sawing machine, the band saw blade with width of 130 mm is used, and the AE value of the cracked band saw blade is well in the high band saw blade AE value. Under the best working condition of the band saw, the band saw blade AE If the value exceeds 104.7 dB (A) above, it means that the band saw blade has at least one crack length greater than 1.38 mm for the crack defect and the need to replace the band saw blade in time. Different species with saw blade of the AE value is different, white pine wood minimum, the largest oak wood; according to a variety of wood processing AE instrument value to determine the band saw blade crack to the situation; so as to fully rational use of band saw blade, The failure and the degree of development to find a new method.

  17. Stark spectrum simulation for X2Y4 molecules: Application to the ν12 band of ethylene in a high-silica zeolite

    Science.gov (United States)

    Sanzharov, Maxim; Rotger, Maud; Loëte, Michel; Boudon, Vincent; Zvereva-Loëte, Natalia; Ballandras, Anthony; Weber, Guy

    2012-04-01

    The influence of an electric field of silicalite-1-zeolite on the FTIR vibrational absorption spectrum of ethylene has been simulated and compared to experimental spectra. The presence of silicalite-1 produces a global shift and a change of the structure of vibrational bands. To explain the global shift of the ν12 band (CH2 scissor mode) and therefore to estimate an effective average field produced by silicalite-1, Stark calculations were performed. These calculations were based on a tensorial formalism implemented in the D2hTDS-ST package [M. Sanzharov, M. Rotger, C. Wenger, M. Loëte, V. Boudon, and A. Rouzée, J. Quant. Spectrosc. Radiat. Transf. 112, 41 (2011)], 10.1016/j.jqsrt.2010.08.023. The value of the field obtained using tensorial formalism (8-11 GV/m) is compared with values obtained using ab initio calculations. A theory of the molecular alignment in the electric field using tensorial formalism is also developed to model the interaction of ethylene in contact with a zeolite environment.

  18. Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods

    Science.gov (United States)

    Latha, B.; Gunasekaran, S.; Srinivasan, S.; Ramkumaar, G. R.

    2014-11-01

    The solid phase FTIR and FT-Raman spectra of Losartan have been recorded in the region 400-4000 cm-1. The spectra were interpreted in terms of fundamental modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by Quantum chemical methods. The vibrational frequencies yield good agreement between observed and calculated values. The infrared and Raman spectra were also predicted from the calculated intensities. (1)H and (13)C NMR spectra were recorded and resonance chemical shifts of the molecule were calculated. UV-Visible spectrum of the compound was recorded in the region 200-600 nm and the electronic properties HOMO and LUMO energies calculated by TD-HF approach. NBO atomic charges of the molecules and second order perturbation theory analysis of Fock matrix also calculated and interpreted. The geometrical parameters, energies, harmonic vibrational frequencies, IR intensities, Raman intensities, and absorption wavelengths were compared with experimental and theoretical data of the molecule.

  19. Interplay of Exciton Coupling and Large-Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine.

    Science.gov (United States)

    Nicu, Valentin P; Domingos, Sérgio R; Strudwick, Benjamin H; Brouwer, Albert M; Buma, Wybren J

    2016-01-11

    A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single O-H bond. The pseudo-conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol(-1) or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo-conformers in a family are caused by large-amplitude motions involving the O-H bond, which trigger the appearance/disappearance of strong VCD exciton-coupling bands in the fingerprint region. This interplay between exciton coupling and large-amplitude-motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  1. Band parameters of phosphorene

    DEFF Research Database (Denmark)

    Lew Yan Voon, L. C.; Wang, J.; Zhang, Y.

    2015-01-01

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory...

  2. Ultraviolet absorptions of non-stoichiometric lead chloride PbCl2

    NARCIS (Netherlands)

    Vries, K.J. de; Santen, J.H. van

    1964-01-01

    Tempering evaporated lead chloride films in a nitrogen atmosphere without or with excess lead or chlorine results in extra absorption bands between 268 and 360 mμ and at about 253 mμ, and in a change of the existing absorption at 265.5 mμ (measured at liquid nitrogen temperature). These absorption

  3. Ultraviolet absorption spectra and kinetics of CH3S and CH2SH radicals

    DEFF Research Database (Denmark)

    Anastasi, C.; Broomfield, M.; Nielsen, O.J.

    1991-01-01

    The ultraviolet absorption spectra of CH3S and CH2SH radicals have been measured between 215 and 380 nm using the pulse-radiolysis/kinetic-absorption method. One absorption band between 250 and 300 nm and one around 215 nm have been tentatively assigned to the CH2SH and CH3S radicals, respectively...

  4. Absorption from Neutral Acceptors in GaAs and GaP

    DEFF Research Database (Denmark)

    Christensen, Ove

    1973-01-01

    We present a new calculation of the absorption due to transitions of holes between neutral acceptors and the various valence-band sublevels in GaAs and GaP. The acceptor wave function was approximated by a previously suggested expression for ground-state wave functions appropriate to complicated ...... band extrema. Numerical calculations of the absorption from intervalence-band transitions of free holes and neutral acceptors have been performed. Good agreement with experimental results is obtained....

  5. Tunable, narrow-band, all-metallic microwave absorber

    Science.gov (United States)

    Mattiucci, N.; Trimm, R.; D'Aguanno, G.; Aközbek, N.; Bloemer, M. J.

    2012-10-01

    We exploit the metamaterial properties of a thick metallic grating with extreme sub-wavelength slits on a metallic slab to achieve complete absorption of transverse magnetic polarized microwaves. We measure narrow bands of total absorption (up to 99.9999%) from normal to grazing incidence that can be tuned by varying an air gap between the grating and the slab. Unlike typical absorbers, the structure is mostly metallic with a 97% filling factor, and no absorptive material beside the metal itself is employed. We access the absorption properties of metals in the microwave where they are commonly believed to be perfect reflectors.

  6. Ultrafast Dynamics of Vibration-Cavity Polariton Modes

    Science.gov (United States)

    Owrutsky, Jeff; Dunkelberger, Adam; Fears, Kenan; Simpkins, Blake; Spann, Bryan

    Vibrational modes of polymers, liquids, and solvated compounds can couple to Fabry-Perot optical cavity modes, creating vibration-cavity polariton modes whose energy tunes with the cavity length and incidence angle. Here we report the pump-probe infrared spectroscopy of vibration-cavity polaritons in cavity-coupled W(CO)6. At very early times, we observe quantum beating between the two polariton states find an anomalously low degree of excitation. After the quantum beating, we directly observe spectroscopic signatures of excited-state absorption from both polariton modes and uncoupled reservoir modes. An analytical expression for cavity transmission reproduces these signatures. The upper polariton mode relaxes ten times more quickly than the uncoupled vibrational mode and the polariton lifetime depends on the angle of incidence of the infrared pulses. Coupling to an optical cavity gives a means of control of the lifetime of vibration-cavity polaritons and could have important implications for chemical reactivity in vibrationally excited molecules.

  7. New line positions analysis of the ν1+ν2+ν3 band of NO2 at 3637.848 cm-1

    Science.gov (United States)

    Gueye, F.; Kwabia Tchana, F.; Landsheere, X.; Perrin, A.

    2014-05-01

    Using high resolution Fourier transform spectra, a new investigation of the ν1+ν2+ν3 absorption band of nitrogen dioxide, 14N16O2, located at 3637.8479(3) cm-1 was performed. The assigned ν1+ν2+ν3 lines involve energy levels of the (1,1,1) vibrational state with rotational quantum numbers up to Ka=12 and N=54. The energy levels were satisfactorily reproduced within their experimental uncertainty using a theoretical model which takes explicitly into account the Coriolis interactions coupling the (1,1,1) levels with those of the (1,3,0) and (2,1,0) dark states, together with the spin-rotation interactions within (1,1,1) and (1,3,0) and (2,1,0). As a consequence, precise vibrational energies, rotational, spin-rotational and coupling constants were achieved for the triad {(2,1,0),(1,3,0),(1,1,1)} of interacting states of 14N16O2. Using these parameters together with the transition moment operator of the ν1+ν3 band achieved during previous studies [Mandin JY, Dana V, Perrin A, Flaud JM, Camy-Peyret C, Régalia L, Barbe A, J Mol Spectrosc 1997;181: 379-388], we have generated an improved set of line parameters (line positions and line intensities) for the ν1+ν2+ν3-ν2 hot band of 14N16O2 which absorbs together with the ν1+ν3 cold band in the 3.4 μm region.

  8. Composite Struts Would Damp Vibrations

    Science.gov (United States)

    Dolgin, Benjamin P.

    1991-01-01

    New design of composite-material (fiber/matrix laminate) struts increases damping of longitudinal vibrations without decreasing longitudinal stiffness or increasing weight significantly. Plies with opposing chevron patterns of fibers convert longitudinal vibrational stresses into shear stresses in intermediate viscoelastic layer, which dissipate vibrational energy. Composite strut stronger than aluminum strut of same weight and stiffness.

  9. Ship Vibration Design Guide

    Science.gov (United States)

    1989-07-01

    Frachtschiffen," Werft Reederie Hafen, 1925. 4-21 Noonan, E. F. "Vibration Considerations for 120,000 CM LNG Ships," NKF: Preliminary Report No. 7107, 25...Ship Response to Ice - A Second Season by C. Daley, J. W. St. John, R. Brown, J. Meyer , and I. Glen 1990 SSC-340 Ice Forces and Ship Response to Ice

  10. Compact Vibration Damper

    Science.gov (United States)

    Ivanco, Thomas G. (Inventor)

    2014-01-01

    A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.

  11. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    The vibrating string problem is the source of much mathematicsand physics. This article describes Lagrange's formulationof a discretised version of the problem and its solution.This is also the first instance of an eigenvalue problem. Author Affiliations. Rajendra Bhatia1. Ashoka University, Rai, Haryana 131 029, India.

  12. Blade Vibration Measurement System

    Science.gov (United States)

    Platt, Michael J.

    2014-01-01

    The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.

  13. Vibration Sensitive Keystroke Analysis

    NARCIS (Netherlands)

    Lopatka, M.; Peetz, M.-H.; van Erp, M.; Stehouwer, H.; van Zaanen, M.

    2009-01-01

    We present a novel method for performing non-invasive biometric analysis on habitual keystroke patterns using a vibration-based feature space. With the increasing availability of 3-D accelerometer chips in laptop computers, conventional methods using time vectors may be augmented using a distinct

  14. Temperature dependence of microwave absorption phenomena in single and biphase soft magnetic microwires

    Energy Technology Data Exchange (ETDEWEB)

    El Kammouni, Rhimou, E-mail: elkammounirhimou@gmail.com [Instituto de Ciencia de Materiales de Madrid, CSIC, 28049 Madrid (Spain); Vázquez, Manuel [Instituto de Ciencia de Materiales de Madrid, CSIC, 28049 Madrid (Spain); Lezama, Luis [Depto. Química Inorgánica, Universidad País Vasco, UPV/EHU, Bilbao (Spain); Kurlyandskaya, Galina [Depto. Electricidad y Electrónica, Universidad País Vasco, UPV/EHU, Bilbao (Spain); Dept. Magnetism and Magnetic Nanomaterials, Ural Federal University, Ekaterinburg (Russian Federation); Kraus, Ludek [Institute of Physics, Academy of Sciences of the Czech Republic, Prague (Czech Republic)

    2014-11-15

    The microwave absorption phenomena of single and biphase magnetic microwires with soft magnetic behavior have been investigated as a function of DC applied magnetic field using two alternative techniques: (i) absorption measurements in the temperature range of 4–300 K using a spectrometer operating at X-band frequency, at 9.5 GHz, and (ii) room-temperature, RT, ferromagnetic resonance measurements in a network analyzer in the frequency range up to 20 GHz. Complementary low-frequency magnetic characterization was performed in a Vibrating Sample Magnetometer. Studies have been performed for 8 μm diameter small-magnetostriction amorphous CoFeSiB single-phase microwire, coated by micrometric Pyrex layer, and after electroplating an external shell, 2 µm or 4 µm thick, of FeNi alloys. For single phase CoFeSiB microwire, a single absorption is observed, whose DC field dependence of resonance frequency at RT fits to a Kittel-law behavior for in-plane magnetized thin film. The temperature dependence behavior shows a monotonic increase in the resonance field, H{sub r}, with temperature. A parallel reduction of the circular anisotropy field, H{sub K}, is deduced from the temperature dependence of hysteresis loops. For biphase, CoFeSiB/FeNi, microwires, the absorption phenomena at RT also follow the Kittel condition. The observed opposite evolution with temperature of resonance field, H{sub r}, in 2 and 4 µm thick FeNi samples is interpreted considering the opposite sign of magnetostriction of the respective FeNi layers. The stress-induced magnetic anisotropy field, H{sub K}, in the FeNi shell is deduced to change sign at around 130 K. - Highlights: • A single absorption phenomenon is observed for single phase CoFeSiB. • The T dependence of the microwave behavior shows a monotonic increase of H{sub r} with T. • The absorption at RT follows the Kittel condition for biphase CoFe/FeNi microwires. • The T dependence of resonant field of CoFe/FeNi is interpreted to be

  15. Temperature-dependent absorption cross-section measurements of 1-butene (1-C4H8) in VUV and IR

    KAUST Repository

    Es-sebbar, Et-touhami

    2013-01-01

    Vacuum ultraviolet (VUV) and infrared (IR) absorption cross-section measurements of 1-butene (1-C4H8; CH2=CHCH2CH3; Butylene) are reported over the temperature range of 296-529K. The VUV measurements are performed between 115 and 205nm using synchrotron radiation as a tunable VUV light source. Fourier Transform Infrared (FTIR) spectroscopy is employed to measure absorption cross-section and band strengths in the IR region between 1.54 and 25μm (~6500-400cm-1). The measured room-temperature VUV and IR absorption cross-sections are compared with available literature data and are found to be in good agreement. The oscillator strength for the electronic transition (A1A\\'→X1A\\') around 150-205nm is determined to be 0.32±0.01.The gas temperature has a strong effect on both VUV and IR spectra. Measurements made in the VUV region show that the peak value of the band cross-section decreases and the background continuum increases with increasing gas temperature. This behavior is due to a change in the rotational and vibrational population distribution of 1-butene molecule. Similar changes in rotational population are observed in the IR spectra. Moreover, variation of the IR spectra with temperature is used to measure the enthalpy difference between syn and skew conformations of 1-butene and is found to be 0.24±0.03. kcal/mol, which is in excellent agreement with values reported in the literature. The measurements reported in this work will provide the much-needed spectroscopic information for the development of high-temperature quantitative diagnostics in combustion applications and validation of atmospheric chemistry models of extra-solar planets. © 2012 Elsevier Ltd.

  16. Molecular dynamics and a spectroscopic study of sulfur dioxide absorption by an ionic liquid and its mixtures with PEO.

    Science.gov (United States)

    Hoher, Karina; Cardoso, Piercarlo F; Lepre, Luiz F; Ando, Rômulo A; Siqueira, Leonardo J A

    2016-10-19

    An investigation comprising experimental techniques (absorption capacity of SO2 and vibrational spectroscopy) and molecular simulations (thermodynamics, structure, and dynamics) has been performed for the polymer poly(ethylene oxide) (PEO), the ionic liquid butyltrimethylammonium bis(trifluoromethylsulfonyl)imide ([N4111][Tf2N]) and their mixtures as sulfur dioxide (SO2) absorbing materials. The polymer PEO has higher capacity to absorb SO2 than the neat ionic liquid, whereas the mixtures presented intermediary absorption capacities. The band assigned to the symmetric stretching band of SO2 at ca. 1140 cm(-1), which is considered a spectroscopic probe for the strength of SO2 interactions with its neighborhood, shifts to lower wavenumbers as more negative total interaction energy values of SO2 were evaluated from the simulations. The solvation free energy of SO2, ΔGsol, correlates linearly with the absorption capacity of SO2. The negative values of ΔGsol are due to negative and positive values of enthalpy and entropy, respectively. In the ionic liquid, SO2 weakens the cation-anion interactions, whereas in the mixture with a high content of PEO these interactions are slightly increased. Such effects were correlated with the relative population of cisoid and transoid conformers of Tf2N anions as revealed by Raman spectroscopy. Moreover, the presence of SO2 in the systems provokes the increase of diffusion coefficients of the absorbing species in comparison with the systems without the gas. Proper to the slow dynamics of the polymer, the diffusion coefficient of ions and SO2 diminishes with the increase of the PEO content.

  17. [Study on lead absorption in pumpkin by atomic absorption spectrophotometry].

    Science.gov (United States)

    Li, Zhen-Xia; Sun, Yong-Dong; Chen, Bi-Hua; Li, Xin-Zheng

    2008-07-01

    A study was carried out on the characteristic of lead absorption in pumpkin via atomic absorption spectrophotometer. The results showed that lead absorption amount in pumpkin increased with time, but the absorption rate decreased with time; And the lead absorption amount reached the peak in pH 7. Lead and cadmium have similar characteristic of absorption in pumpkin.

  18. Temperature dependence of absorption and fluorescence spectra of bacteriochlorophylls in vivo and in vitro

    NARCIS (Netherlands)

    Goedheer, J.C.

    The “short wave” far-red absorption bands (795–825 nm) of bacteriochlorophyll in photosynthetic red bacteria are sharpened but not shifted upon cooling, the “long wave” far-red bands (840–890 nm) are sharpened less but shifted appreciably towards longer wavelengths. The fluorescence bands are

  19. Absorption and photoluminescence in organic cavity QED

    Science.gov (United States)

    Herrera, Felipe; Spano, Frank C.

    2017-05-01

    Organic microcavities can be engineered to reach exotic quantum regimes of strong and ultrastrong light-matter coupling. However, the microscopic interpretation of their spectroscopic signals can be challenging due to the competition between coherent and dissipative processes involving electrons, vibrations, and cavity photons. We develop here a theoretical framework based on the Holstein-Tavis-Cummings model and a Markovian treatment of dissipation to account for previously unexplained spectroscopic features of organic microcavities consistently. We identify conditions for the formation of dark vibronic polaritons, a class of light-matter excitations that are not visible in absorption but lead to strong photoluminescence lines. We show that photon leakage from dark vibronic polaritons can be responsible for enhancing photoluminescence at the lower polariton frequency, and also can explain the apparent breakdown of reciprocity between absorption and emission in the vicinity of the bare molecular transition frequency. Successful comparison with experimental data demonstrates the applicability of our theory.

  20. Ortho-Para-Dependent Pressure Effects Observed in the Near Infrared Band of Acetylene by Dual-Comb Spectroscopy

    Science.gov (United States)

    Iwakuni, Kana; Okubo, Sho; Yamada, Koichi M. T.; Inaba, Hajime; Onae, Atsushi; Hong, Feng-Lei; Sasada, Hiroyuki

    2016-09-01

    We demonstrate that dual-comb spectroscopy, which allows one to record broadband spectra with high frequency accuracy in a relatively short time, provides a real advantage for the observation of pressure-broadening and pressure-shift effects. We illustrate this with the ν1+ν3 vibration band of 12C2 H2 . We observe transitions from P (26 ) to R (29 ) , which extend over a 3.8 THz frequency range, at six pressures ranging up to 2654 Pa. Each observed absorption line profile is fitted to a Voigt function yielding pressure-broadening and pressure-shift coefficients for each rotation-vibration transition. The effectiveness of this technique is such that we are able to discern a clear dependence of the pressure-broadening coefficients on the nuclear spin state, i.e., on the ortho or para modification. This information, combined with the pressure-shift coefficients, can facilitate a detailed understanding of the mechanism of molecular collisions.

  1. Enhanced microwave absorption properties of CTAB assisted Pr–Cu substituted nanomaterial

    Energy Technology Data Exchange (ETDEWEB)

    Sadiq, Imran, E-mail: Imran.cssp@pu.edu.pk [Centre of Excellence in Solid State Physics, University of the Punjab, Lahore (Pakistan); Naseem, Shahzad; Riaz, Saira [Centre of Excellence in Solid State Physics, University of the Punjab, Lahore (Pakistan); Khan, Hasan M. [Department of Physics, Bahauddin Zakariya University, Multan (Pakistan); Ashiq, Muhammad Naeem [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Hussain, S. Sajjad; Rana, Mazhar [Centre of Excellence in Solid State Physics, University of the Punjab, Lahore (Pakistan)

    2016-09-15

    In this study, the rare earth Pr{sup 3+}and divalent Cu{sup 2+} elements substituted Sr{sub 1−x}Pr{sub x}Mn{sub 2}Fe{sub 16−y}Cu{sub y}O{sub 27} (x=0, 0.02, 0.06, 0.1 and y=0, 0.1, 0.3, 0.5) W-type hexagonal ferrites were prepared by Sol–Gel method. TGA and DSC analysis of as prepared material was carried out to confirm the temperature at which required phase can be obtained. The XRD patterns exhibit the single phase for all the samples and the lattice parameters were changed with the additives. The absorption bands at wave number 636 and 554 cm{sup −1} in FTIR spectrum indicate the stretching vibration of metal–oxygen ions which also ratifies the single phase for the prepared material. Microstructural analysis confirms the agglomeration of nanograins which leads to formation of platelet like structure which cause in the enhancement of the microwave absorption properties of material. The minimum reflection loss of −59.8 dB at 9.34 GHz frequency was observed makes the prepared material good candidate to be used in super high frequency application. The attenuation constant and reflectivity results are also in good agreement with minimum reflection losses results. - Highlights: • A series of W-type hexagonal ferrites were prepared by Sol–Gel method. • The XRD analysis showed that the W-type hexagonal structure. • The c/a ratio of these samples falls in the range of W-type hexagonal ferrites. • The FTIR spectrum also confirms the single W-type hexagonal phase. • The microwave absorption properties enhanced with Pr–Cu substitution.

  2. Structural, thermal and optical absorption features of heavy metal oxides doped tellurite rich glasses

    Directory of Open Access Journals (Sweden)

    Kawa M. Kaky

    Full Text Available In order to improve tellurite glass stability to be applicable for optical fiber amplifier applications, glasses with the composition of (70 − xTeO2. (10ZnO. (10WO3. (5Na2O. (5TiO2. (xBi2O3 (x = 1, 2, 3, 4, and 5 mol% have been produced and characterized using the related methods. Structural properties were investigated using X-ray diffraction (XRD which confirms the non-crystalline structure and scanning electron microscopy (SEM micrographs also confirm the XRD results. The energy dispersive X-ray (EDX analysis profiles show that all the mentioned elements are present in the prepared glasses. Following the IR spectra, all the tellurium bonds such as stretching vibrations of TeO4 tbp and TeO3/TeO3+1 unit are revealed. Raman spectra confirm the presence of different functional groups, actually, it shows bands mainly in four spectral regions: R1 (65–150 cm−1, R2 (280–550 cm−1, R3 (880–950 cm−1 and R4 (916–926 cm−1 and the identified bands are assigned to respective molecular groups. The thermal study was carried out using Differential scanning calorimetry (DSC which indicates good thermal stability of the synthesized glasses with increasing Bi concentration. From the optical absorption spectra, we evaluated cut-off edge wavelengths and found increasing cutoff wavelength with an increase in Bi2O3 concentration. In the UV–Visible region, optical band gap energy and allowed transitions were investigated using three methods; direct, indirect, and absorption spectrum fitting (ASF, and band gaps from indirect and ASF were matched. Keywords: Tellurite glasses, XRD, FT-IR, Raman, TGA/DSC

  3. Animal Communications Through Seismic Vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Peggy (University of Tulsa)

    2001-05-02

    Substrate vibration has been important to animals as a channel of communication for millions of years, but our literature on vibration in this context of biologically relevant information is only decades old. The jaw mechanism of the earliest land vertebrates allowed them to perceive substrate vibrations as their heads lay on the ground long before airborne sounds could be heard. Although the exact mechanism of vibration production and the precise nature of the wave produced are not always understood, recent development of affordable instrumentation to detect and measure vibrations has allowed researchers to answer increasingly sophisticated questions about how animals send and receive vibration signals. We now know that vibration provides information used in predator defense, prey detection, recruitment to food, mate choice, intrasexual competition, and maternal/brood social interactions in a variety of insect orders, spiders, crabs, scorpions, chameleons, frogs, golden moles, mole rats, kangaroos rats, wallabies, elephants and bison.

  4. Prediction and mitigation analysis of ground vibration caused by running high-speed trains on rigid-frame viaducts

    Science.gov (United States)

    Sun, Liangming; Xie, Weiping; He, Xingwen; Hayashikawa, Toshiro

    2016-03-01

    In this study a 3D numerical analysis approach is developed to predict the ground vibration around rigid-frame viaducts induced by running high-speed trains. The train-bridge-ground interaction system is divided into two subsystems: the train-bridge interaction and the soil-structure interaction. First, the analytical program to simulate bridge vibration with consideration of train-bridge interaction is developed to obtain the vibration reaction forces at the pier bottoms. The highspeed train is described by a multi-DOFs vibration system and the rigid-frame viaduct is modeled with 3D beam elements. Second, applying these vibration reaction forces as input external excitations, the ground vibration is simulated by using a general-purpose program that includes soil-structure interaction effects. The validity of the analytical procedure is confirmed by comparing analytical and experimental results. The characteristics of high-speed train-induced vibrations, including the location of predominant vibration, are clarified. Based on this information a proposed vibration countermeasure using steel strut and new barrier is found effective in reducing train-induced vibrations and it satisfies environmental vibration requirements. The vibration screening efficiency is evaluated by reduction VAL based on 1/3 octave band spectral analysis.

  5. Vibration Attenuation of Plate Using Multiple Vibration Absorbers

    Directory of Open Access Journals (Sweden)

    Zaman Izzuddin

    2014-07-01

    Full Text Available Vibrations are undesired phenomenon and it can cause harm, distress and unsettling influence to the systems or structures, for example, aircraft, automobile, machinery and building. One of the approach to limit this vibration by introducing passive vibration absorber attached to the structure. In this paper, the adequacy of utilizing passive vibration absorbers are investigated. The vibration absorber system is designed to minimize the vibration of a thin plate fixed along edges. The plate’s vibration characteristics, such as, natural frequency and mode shape are determined using three techniques: theoretical equations, finite element (FE analysis and experiment. The results demonstrate that the first four natural frequencies of fixed-fixed ends plate are 48, 121, 193 and 242 Hz, and these results are corroborated well with theoretical, FE simulation and experiment. The experiment work is further carried out with attached single and multiple vibration absorbers onto plate by tuning the absorber’s frequency to match with the excitation frequency. The outcomes depict that multiple vibration absorbers are more viable in lessening the global structural vibration.

  6. Alternating-parity collective states of yrast and nonyrast bands in lanthanide and actinide nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nadirbekov, M. S., E-mail: nodirbekov@inp.uz; Yuldasheva, G. A. [Uzbek Academy of Sciences, Institute of Nuclear Physics (Uzbekistan); Denisov, V. Yu. [National Academy of Sciences of Ukraine, Institute for Nuclear Research (Ukraine)

    2015-03-15

    Excited collective states of even-even nuclei featuring quadrupole and octupole deformations are studied within a nonadiabatic collective model with a Gaussian potential energy. Rotational states of the yrast band and vibrational-rotational states of nonyrast bands are considered in detail. The energies of alternating-parity excited states of the yrast band in the {sup 164}Er, {sup 220}Ra, and {sup 224}Th nuclei; the yrast and first nonyrast bands in the {sup 154}Sm and {sup 160}Gd nuclei; and the yrast, first nonyrast, and second nonyrast bands in the {sup 224}Ra and {sup 240}Pu nuclei are described well on the basis of the proposed model.

  7. Approaches to Beam Stabilization in X-Band Linear Colliders

    CERN Document Server

    Frisch, J; Markiewicz, T W; Seryi, Andrei

    2004-01-01

    In order to stabilize the beams at the interaction point, the X-band linear collider proposes to use a combination of techniques: inter-train and intra-train beam-beam feedback, passive vibration isolation, and active vibration stabilization based on either accelerometers or laser interferometers. These systems operate in a technologically redundant fashion: simulations indicate that if one technique proves unusable in the final machine, the others will still support adequate luminosity. Experiments underway for all of these technologies, have already demonstrated adequate performance.

  8. What band rocks the MTB? (Invited)

    Science.gov (United States)

    Kind, J.; García-Rubio, I.; Gehring, A. U.

    2013-12-01

    Magnetotactic bacteria (MTB) are a polyphyletic group of bacteria that have been found in marine and lacustrine environments and soils [e.g. 1]. The hallmark of MTB is their intracellular formation of magnetosomes, single-domain ferrimagnetic particles that are aligned in chains. The chain configuration generates a strong magnetic dipole, which is used as magnetic compass to move the MTB into their favorable habit. The term band corresponds to a frequency window of microwaves in the gigahertz (GHz) range. Ferromagnetic resonance (FMR) spectroscopy uses the microwave absorption in a magnetic field to analyze the anisotropy properties and the domain state of magnetic materials. Specific microwave frequency causes absorption in a characteristic magnetic field range. For the investigation of MTB we use S-band (4.02 GHz), X-band (9.47 GHz), and Q-band (34.16 GHz). Experiments on cultured MTB and on sediment samples of Holocene age showed that absorption in X- and Q-band occurs when the sample is in a saturated or nearly saturated state [2, 3]. By contrast, absorption in the S-band appears in lower magnetic fields, where the sample is far from saturation. All FMR spectra show two distinct low-field features that can be assigned to magnetite particles in chains, aligned parallel and perpendicular to the external magnetic field. The detailed separation of the parallel and perpendicular components in the bulk samples is hampered, because of the random orientation of the chains in the sample. The comparison of S-, X-, and Q-band shows that the lower the frequency the better the separation of the components. In the S-band FMR spectroscopy, the separation of chains parallel to the external magnetic field is supported by the internal field of the sample. This field is caused by the remanence that contributes to the external magnetic field to fulfill the resonance condition [3,4]. Considering the different FMR responses, it can be postulated that a lower microwave frequency

  9. Amplifying vibrational circular dichroism by manipulation of the electronic manifold.

    Science.gov (United States)

    Domingos, Sérgio R; Panman, Matthijs R; Bakker, Bert H; Hartl, Frantisek; Buma, Wybren J; Woutersen, Sander

    2012-01-11

    Vibrational circular dichroism is a powerful technique to study the stereochemistry of chiral molecules, but often suffers from small signal intensities. Electrochemical modulation of the energies of the electronically excited state manifold is now demonstrated to lead to an order of magnitude enhancement of the differential absorption. Quantum-chemical calculations show that increased mixing between ground and excited states is at the origin of this amplification. This journal is © The Royal Society of Chemistry 2012

  10. Shaft Crack Identification Based on Vibration and AE Signals

    Directory of Open Access Journals (Sweden)

    Wenxiu Lu

    2011-01-01

    Full Text Available The shaft crack is one of the main serious malfunctions that often occur in rotating machinery. However, it is difficult to locate the crack and determine the depth of the crack. In this paper, the acoustic emission (AE signal and vibration response are used to diagnose the crack. The wavelet transform is applied to AE signal to decompose into a series of time-domain signals, each of which covers a specific octave frequency band. Then an improved union method based on threshold and cross-correlation method is applied to detect the location of the shaft crack. The finite element method is used to build the model of the cracked rotor, and the crack depth is identified by comparing the vibration response of experiment and simulation. The experimental results show that the AE signal is effective and convenient to locate the shaft crack, and the vibration signal is feasible to determine the depth of shaft crack.

  11. The evidences of latitudinal asymmetry of the ammonia absorption on Saturn

    Science.gov (United States)

    Tejfel, V. G.; Karimov, A. M.; Bondarenko, N. N.; Kharitonova, G. A.

    2015-10-01

    450 zonal CCD-spectrograms, recorded by scanning the disk of Saturn during its equinox at the beginning of 2009, were processed to find the variation of the absorption band of ammonia NH3 647 nm. This band overlaps with the short-wavelength wing of the absorption band of methane CH4 667 nm, therefore, to highlight the ammonia absorption spectra were used Uranus and laboratory spectra of methane. It was found that ammonia absorption is enhanced in the northern hemisphere of Saturn, as well as relatively weak bands of methane in contrast with stronger CH4 bands [1]. It may indicate on the North-South asymmetry in the density of the deeper parts of the ammonia cloud layer of Saturn.

  12. A numerical study of the nonlinear dynamics of a light, axially moving band in surrounding fluid

    Science.gov (United States)

    Koivurova, H.; Laukkanen, J.

    2009-07-01

    The vibration characteristics of a submerged axially moving band are investigated by a numerical study. A geometrically nonlinear axially moving band model is coupled to the acoustic fluid model and the periodic nonlinear problem is solved by the Fourier-Galerkin-Newton (FGN) method. The nonlinear dynamic behaviour is examined through the dependences between fundamental frequency, axial velocity and the amplitude of nonlinear free vibration. The results are compared with the behaviour of an axially moving band in a vacuum as considered in the companion paper [H. Koivurova, Journal of Sound and Vibration 320 (2009) 373-385]. In the subcritical speed range the system behaved as expected, in that the effect of the surrounding air field reduced the fundamental frequency to about one fifth of the vibration observed in a vacuum. In the supercritical speed range the effects of the surrounding air depended on the amplitude of vibration and its change with increasing geometrical nonlinearity. With linear vibrations the fundamental frequency grows faster as a function of axial velocity than in vacuum, but with nonlinear vibrations the increase in frequency is slower than in a vacuum at near-critical velocities, but with a tendency to increase faster at higher velocities.

  13. Atmospheric solar heating rate in the water vapor bands

    Science.gov (United States)

    Chou, Ming-Dah

    1986-01-01

    The total absorption of solar radiation by water vapor in clear atmospheres is parameterized as a simple function of the scaled water vapor amount. For applications to cloudy and hazy atmospheres, the flux-weighted k-distribution functions are computed for individual absorption bands and for the total near-infrared region. The parameterization is based upon monochromatic calculations and follows essentially the scaling approximation of Chou and Arking, but the effect of temperature variation with height is taken into account in order to enhance the accuracy. Furthermore, the spectral range is extended to cover the two weak bands centered at 0.72 and 0.82 micron. Comparisons with monochromatic calculations show that the atmospheric heating rate and the surface radiation can be accurately computed from the parameterization. Comparisons are also made with other parameterizations. It is found that the absorption of solar radiation can be computed reasonably well using the Goody band model and the Curtis-Godson approximation.

  14. Pickin’ up good vibrations

    CERN Multimedia

    Katarina Anthony

    2015-01-01

    In preparation for the civil engineering work on the HL-LHC, vibration measurements were carried out at the LHC’s Point 1 last month. These measurements will help evaluate how civil engineering work could impact the beam, and will provide crucial details about the site’s geological make-up before construction begins.   A seismic truck at Point 1 generated wave-like vibrations measured by EN/MME. From carrying out R&D to produce state-of-the-art magnets to developing innovative, robust materials capable of withstanding beam impact, the HL-LHC is a multi-faceted project involving many groups and teams across CERN’s departments. It was in this framework that the project management mandated CERN's Mechanical and Materials Engineering (EN/MME) group to measure the propagation of vibrations around Point 1. Their question: can civil engineering work for the HL-LHC – the bulk of which is scheduled for LS2 – begin while the LHC is running? Alth...

  15. Vibrational stability of graphene

    Directory of Open Access Journals (Sweden)

    Yangfan Hu

    2013-05-01

    Full Text Available The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP models. Compared with three-dimensional (3-D materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202. This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC, defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D materials.

  16. Membrane Gas Absorption

    NARCIS (Netherlands)

    Jansen, A.E.; Klaassen, R.; Feron, P.H.M.

    1995-01-01

    Membrane gas absorption processes are absorption processes utilising hollow fibre membranes as contacting media for gas and liquid flows. The principle of operation and engineering aspects are discussed, followed by discussion of a number of typical applications. Benefits in terms of operation,

  17. Nutrition and magnesium absorption

    NARCIS (Netherlands)

    Brink, E.J.

    1992-01-01

    The influence of various nutrients present in dairy products and soybean-based products on absorption of magnesium has been investigated. The studies demonstrate that soybean protein versus casein lowers apparent magnesium absorption in rats through its phytate component. However, true

  18. Solar absorption surface panel

    Science.gov (United States)

    Santala, Teuvo J.

    1978-01-01

    A composite metal of aluminum and nickel is used to form an economical solar absorption surface for a collector plate wherein an intermetallic compound of the aluminum and nickel provides a surface morphology with high absorptance and relatively low infrared emittance along with good durability.

  19. Customized DSP-based vibration measurement for wind turbines

    Energy Technology Data Exchange (ETDEWEB)

    LaWhite, N.E.; Cohn, K.E. [Second Wind Inc., Somerville, MA (United States)

    1996-12-31

    As part of its Advanced Distributed Monitoring System (ADMS) project funded by NREL, Second Wind Inc. is developing a new vibration measurement system for use with wind turbines. The system uses low-cost accelerometers originally designed for automobile airbag crash-detection coupled with new software executed on a Digital Signal Processor (DSP) device. The system is envisioned as a means to monitor the mechanical {open_quotes}health{close_quotes} of the wind turbine over its lifetime. In addition the system holds promise as a customized emergency vibration detector. The two goals are very different and it is expected that different software programs will be executed for each function. While a fast Fourier transform (FFT) signature under given operating conditions can yield much information regarding turbine condition, the sampling period and processing requirements make it inappropriate for emergency condition monitoring. This paper briefly reviews the development of prototype DSP and accelerometer hardware. More importantly, it reviews our work to design prototype vibration alarm filters. Two-axis accelerometer test data from the experimental FloWind vertical axis wind turbine is analyzed and used as a development guide. Two levels of signal processing are considered. The first uses narrow band pre-processing filters at key fundamental frequencies such as the 1P, 2P and 3P. The total vibration energy in each frequency band is calculated and evaluated as a possible alarm trigger. In the second level of signal processing, the total vibration energy in each frequency band is further decomposed using the two-axis directional information. Directional statistics are calculated to differentiate between linear translations and circular translations. After analyzing the acceleration statistics for normal and unusual operating conditions, the acceleration processing system described could be used in automatic early detection of fault conditions. 9 figs.

  20. Influence of Structural Periodicity on Vibration Transmission in a Multi-Storey Wooden Building

    DEFF Research Database (Denmark)

    Andersen, Lars Vabbersgaard

    2013-01-01

    Noise is a nuisance to people, and buildings should therefore be designed to prevent propagation of sound and vibration in the audible frequency range as well as the range of frequencies relevant to whole-body vibrations of humans. In heavy structures made of concrete and masonry, a source...... with high energy content is required to mobilise the inertia. However, for lightweight building structures made of wood, less energy is required to produce vibrations since the mass is smaller. This leads to a high risk of sound and vibration propagation in terms of direct as well as flanking transmission...... is known to result in pass bands and stop bands regarding wave propagation. The paper focuses on analysing and quantifying the effects that a change in the structure, especially regarding the periodicity, has on the overall dynamic performance in the low to mid frequency range up to 250 Hz. The analysis...

  1. The Role of Polycyclic Aromatic Hydrocarbons in Dense Cloud Absorption Features: The Last Major Unanswered Question in Interstellar Ice Spectroscopy

    Science.gov (United States)

    Chiar, Jean

    Interstellar dust plays a vital role in the star formation process and the eventual formation of planetary systems including our own. Ice mantles are an important component of the dust: reactions involving simple ices can create more complex (and astrobiologically interesting) molecules, and ices sublimated back into the gas phase influence the gas- phase chemistry. Although polycyclic aromatic hydrocarbons (PAHs) are commonly thought to be very abundant interstellar species and, as such, are likely to be important components of interstellar ices, their contribution to the infrared spectra and chemistry of ices in dense molecular clouds is an open question. This program makes extensive use of three major NASA-funded databases: the Spitzer archive, the 2MASS archive, and the NASA Ames PAH database in order to answer the last major unanswered question in interstellar ice spectroscopy: what role do PAHs play in contributing to unidentified absorption features observed in dense cloud spectra. PAHs are observed to be present and abundant in nearly all phases of the galactic and extragalactic interstellar medium. The evidence for the ubiquity of interstellar PAHs is the widespread well-known family of prominent emission bands at 3.28, 6.2, 7.7, 8.6, and 11.2 micron. To date, these PAH bands have been most easily detected in regions where individual gas phase PAH molecules (neutrals and ions) become highly vibrationally excited by the ambient radiation field. While PAHs and closely related aromatic materials should be present throughout dense interstellar regions, PAH emission is quenched in cold dark dense clouds. Also, in these regions, most PAHs should efficiently condense out onto dust grains, either as "pure" solids or as "guest molecules" in icy grain mantles, much as is the case for most other interstellar molecules. Thus, in dense molecular clouds, condensed PAHs will give rise to IR absorption bands rather than emission features. While PAH absorption has been

  2. Study of Perfluoroalkyl Chain-Specific Band Shift in Infrared Spectra on the Chain Length.

    Science.gov (United States)

    Shimoaka, Takafumi; Sonoyama, Masashi; Amii, Hideki; Takagi, Toshiyuki; Kanamori, Toshiyuki; Hasegawa, Takeshi

    2017-11-09

    The CF 2 symmetric stretching vibration (ν s (CF 2 )) band of a perfluoroalkyl (Rf) group in an infrared (IR) spectrum exhibits a unique character, that is, an apparent high wavenumber shift with increasing the chain length, which is an opposite character to that of the CH stretching vibration band of a normal alkyl chain. To reveal the mechanism of the unusual IR band shift, two vibrational characters of an Rf chain are focused: (1) a helical conformation of an Rf chain, (2) the carbon (C) atoms having a smaller mass than the fluorine (F) atom dominantly vibrate as a coupled oscillator leaving F atoms stay relatively unmoved. These indicate that a "coupled oscillation of the skeletal C atoms" of an Rf chain should be investigated considering the helical structure. In the present study, therefore, the coupled oscillation of the Rf chain dependent on the chain length is investigated by Raman spectroscopy, which is suitable for investigating a skeletal vibration. The Raman-active ν s (CF 2 ) band is found to be split into two bands, the splitting is readily explained by considering the helical structure and length with respect to group theory, and the unusual peak shift is concluded to be explained by the helical length.

  3. Phase behaviour of transfer functions in vibrating systems

    DEFF Research Database (Denmark)

    Zhu, Jianyuan; Ohlrich, Mogens

    1998-01-01

    This paper investigates the applicabilities of pole-zero models and wave propagation theory in estimating the phase characteristics of vibrating systems. The measured phase spectra are compared with the estimated reverberant phase limit and wave propagation phase. The relations between transfer...... on frequency in this band, but from the transition frequency and onwards the phase increases only with the square root of frequency. This behaviour is characteristic for free propagating waves....

  4. Vibrational relaxation beyond the linear damping limit in two-dimensional optical spectra of molecular aggregates

    Science.gov (United States)

    Perlík, Václav; Šanda, František

    2017-08-01

    We present a computational model for the spectra of molecular aggregates with signatures of vibronic progression. Vibronic dynamics is implemented by coupling the dynamics of Frenkel excitons with underdamped vibrations. Vibrational dynamics includes linear damping resulting in the exponential decay and quadratic damping inducing subexponential or power law relaxation and increasing vibrational decoherence as demonstrated on lineshapes of the absorption spectrum. Simulations of the third-order coherent response account for bath reorganization during excitonic transport, which allows us to study the line-shape evolution of cross peaks of 2D spectra.

  5. Temperature measurements via narrow line laser absorption of carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Wooldridge, M.S. [Texas A and M Univ., College Station, TX (United States). Dept. of Mechanical Engineering

    1996-12-31

    Theoretical development for temperature measurements via narrow line, infrared absorption of carbon dioxide (CO{sub 2}) is presented. The proposed technique is based on rapid-scanning of two adjacent absorption line shapes. Spectroscopic considerations for sensitivity to temperature measurements are discussed. Several line pairs are evaluated, and the R(58) and R(60) transitions of the (00{sup 0}1){l_arrow}(00{sup 0}0) band are suggested for use in high temperature measurements for combustion systems.

  6. Magnetism and Microwave Absorption Properties of Fe3O4 Microflake-Paraffin Composites Without and With Magnetic Orientation

    Science.gov (United States)

    Wang, Peng; Zhang, Junming; Chen, Yuanwei; Wang, Guowu; Wang, Dian; Wang, Tao; Li, Fashen

    2018-01-01

    We have synthesized thin Fe3O4 microflakes by a simple hydrothermal method and prepared Fe3O4 microflake-paraffin composites without and with magnetic orientation using the method of simple ultrasonic mixing and rotating samples in a magnetic field. X-ray diffractometer, Mössbauer spectrum, scanning electron microscope and vibrating sample magnetometer were used to characterize the samples. The complex permittivity and permeability of Fe3O4 microflake-paraffin composites without and with magnetic orientation were measured in the frequency range of 0.1-18 GHz by a vector network analyzer using a coaxial method. The reflection loss (RL) was calculated by the measured electromagnetic parameters using transmission line theory. The measurement of electromagnetic parameters shows that magnetic orientation makes the complex permittivity and permeability increase. The calculated RL shows that the Fe3O4 microflake-paraffin composite with magnetic orientation has enhanced microwave absorption properties in the frequency range of 1-3 GHz and the thickness range of 2.9-3.5 mm, indicating that the Fe3O4 microflake-paraffin composite with magnetic orientation is a promising thin microwave absorption material in the L-S band.

  7. Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

    DEFF Research Database (Denmark)

    Barsberg, Soren

    2015-01-01

    for a comprehensive study of the quality of available theoretical methods in relation to the task of predicting lignin vibrational properties. The present study examined more than 50 functionals for prediction of IR vibrations of an appropriate lignin model. Based on a basis set incompleteness study, the pc-2 basis...... set was used. B98, X3LYP and B97-1 were the overall best-performing functionals, and “fingerprint” band positions were predicted by single-factor scaling of harmonic frequencies to an average error of ±3 cm−1 by optimized scaling factors of 1.017, 1.021 and 1.016, respectively. Their performance using......Lignin is the most abundant aromatic plant polymer on earth. Useful information on its structure and interactions is gained by vibrational spectroscopy and relies on the quality of band assignments. B3LYP predictions were recently shown to support band assignments. Further progress calls...

  8. Microscopic structure of high-spin vibrational states in superdeformed A=190 nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nakatsukasa, Takashi [Chalk River Labs., Ontario (Canada); Matsuyanagi, Kenichi [Kyoto Univ. (Japan); Mizutori, Shoujirou [Oak Ridge National Lab., TN (United States)] [and others

    1996-12-31

    Microscopic RPA calculations based on the cranked shell model are performed to investigate the quadrupole and octupole correlations for excited superdeformed (SD) bands in even-even A=190 nuclei. The K = 2 octupole vibrations are predicted to be the lowest excitation modes at zero rotational frequency. The Coriolis coupling at finite frequency produces different effects depending on the neutron and proton number of nucleus. The calculations also indicate that some collective excitations may produce moments of inertia almost identical to those of the yrast SD band. An interpretation of the observed excited bands invoking the octupole vibrations is proposed, which suggests those octupole vibrations may be prevalent in even-even SD A=190 nuclei.

  9. An extremely broad band metamaterial absorber based on destructive interference.

    Science.gov (United States)

    Sun, Jingbo; Liu, Lingyun; Dong, Guoyan; Zhou, Ji

    2011-10-24

    We propose a design of an extremely broad frequency band absorber based on destructive interference mechanism. Metamaterial of multilayered SRRs structure is used to realize a desirable refractive index dispersion spectrum, which can induce a successive anti-reflection in a wide frequency range. The corresponding high absorptance originates from the destructive interference of two reflection waves from the two surfaces of the metamaterial. A strongly absorptive bandwidth of almost 60 GHz is demonstrated in the range of 0 to 70 GHz numerically. This design provides an effective and feasible way to construct broad band absorber in stealth technology, as well as the enhanced transmittance devices. © 2011 Optical Society of America

  10. Characterization of real-world vibration sources with a view toward optimal energy harvesting architectures

    Science.gov (United States)

    Rantz, Robert; Roundy, Shad

    2016-04-01

    A tremendous amount of research has been performed on the design and analysis of vibration energy harvester architectures with the goal of optimizing power output; most studies assume idealized input vibrations without paying much attention to whether such idealizations are broadly representative of real sources. These "idealized input signals" are typically derived from the expected nature of the vibrations produced from a given source. Little work has been done on corroborating these expectations by virtue of compiling a comprehensive list of vibration signals organized by detailed classifications. Vibration data representing 333 signals were collected from the NiPS Laboratory "Real Vibration" database, processed, and categorized according to the source of the signal (e.g. animal, machine, etc.), the number of dominant frequencies, the nature of the dominant frequencies (e.g. stationary, band-limited noise, etc.), and other metrics. By categorizing signals in this way, the set of idealized vibration inputs commonly assumed for harvester input can be corroborated and refined, and heretofore overlooked vibration input types have motivation for investigation. An initial qualitative analysis of vibration signals has been undertaken with the goal of determining how often a standard linear oscillator based harvester is likely the optimal architecture, and how often a nonlinear harvester with a cubic stiffness function might provide improvement. Although preliminary, the analysis indicates that in at least 23% of cases, a linear harvester is likely optimal and in no more than 53% of cases would a nonlinear cubic stiffness based harvester provide improvement.

  11. Singing with the Band

    Science.gov (United States)

    Altman, Timothy Meyer; Wright, Gary K.

    2012-01-01

    Usually band, orchestra, and choir directors work independently. However, the authors--one a choral director, the other a band director--have learned that making music together makes friends. Not only can ensemble directors get along, but joint concerts may be just the way to help students see how music can reach the heart. Combined instrumental…

  12. ZEBRAFISH CHROMOSOME-BANDING

    NARCIS (Netherlands)

    PIJNACKER, LP; FERWERDA, MA

    1995-01-01

    Banding techniques were carried out on metaphase chromosomes of zebrafish (Danio rerio) embryos. The karyotypes with the longest chromosomes consist of 12 metacentrics, 26 submetacentrics, and 12 subtelocentrics (2n = 50). All centromeres are C-band positive. Eight chromosomes have a pericentric

  13. Vibrational Förster transfer to hydrated protons.

    Science.gov (United States)

    Timmer, R L A; Tielrooij, K J; Bakker, H J

    2010-05-21

    We have studied the influence of excess protons on the vibrational energy relaxation of the O-H and O-D stretching modes in water using femtosecond pump-probe spectroscopy. Without excess protons, we observe exponential decays with time constants of 1.7 and 4.3 ps for the bulk and anion bound O-D stretch vibrations. The addition of protons introduces a new energy relaxation pathway, which leads to an increasingly nonexponential decay of the O-D stretch vibration. This new pathway is attributed to a distance-dependent long range dipole-dipole (Forster) interaction between the O-D stretching vibration and modes associated with dissolved protons. The high efficiency of hydrated protons as receptors of vibrational energy follows from the very large absorption cross section and broad bandwidth of protons in water. For a proton concentration of 1M we find that Forster energy transfer occurs over an average distance of 4.5 A, which corresponds to a separation of about two water molecules.

  14. VIBRATION ISOLATION SYSTEM PROBABILITY ANALYSIS

    Directory of Open Access Journals (Sweden)

    Smirnov Vladimir Alexandrovich

    2012-10-01

    Full Text Available The article deals with the probability analysis for a vibration isolation system of high-precision equipment, which is extremely sensitive to low-frequency oscillations even of submicron amplitude. The external sources of low-frequency vibrations may include the natural city background or internal low-frequency sources inside buildings (pedestrian activity, HVAC. Taking Gauss distribution into account, the author estimates the probability of the relative displacement of the isolated mass being still lower than the vibration criteria. This problem is being solved in the three dimensional space, evolved by the system parameters, including damping and natural frequency. According to this probability distribution, the chance of exceeding the vibration criteria for a vibration isolation system is evaluated. Optimal system parameters - damping and natural frequency - are being developed, thus the possibility of exceeding vibration criteria VC-E and VC-D is assumed to be less than 0.04.

  15. Random vibrations theory and practice

    CERN Document Server

    Wirsching, Paul H; Ortiz, Keith

    1995-01-01

    Random Vibrations: Theory and Practice covers the theory and analysis of mechanical and structural systems undergoing random oscillations due to any number of phenomena— from engine noise, turbulent flow, and acoustic noise to wind, ocean waves, earthquakes, and rough pavement. For systems operating in such environments, a random vibration analysis is essential to the safety and reliability of the system. By far the most comprehensive text available on random vibrations, Random Vibrations: Theory and Practice is designed for readers who are new to the subject as well as those who are familiar with the fundamentals and wish to study a particular topic or use the text as an authoritative reference. It is divided into three major sections: fundamental background, random vibration development and applications to design, and random signal analysis. Introductory chapters cover topics in probability, statistics, and random processes that prepare the reader for the development of the theory of random vibrations a...

  16. Acoustic absorption of natural gas compression facility enclosures

    Energy Technology Data Exchange (ETDEWEB)

    Lassen, P.; Wong, G. [Noise Management Ltd., Calgary, AB (Canada)

    2009-07-01

    Noise sources at gas compressor facilities include the enclosure/building housing a gas engine and compressor, the ventilation openings, doors and windows for the enclosure, the engine air intake and exhaust, and a cooler. Accurate predictions of the noise levels inside the enclosure, the breakout noise from open windows and doors and ventilation, as well as the transmission through the walls, is necessary in order to determine cost effective noise mitigation for the facility. In order to accurately predict the sound breakout from these facilities it is necessary to know the acoustic absorption of the interior of these equipment enclosures. Although the acoustic absorption data of the wall systems may be available, the absorption attributable to the non-enclosure surfaces, the equipment and fittings, is not usually known and is difficult to predict. Since piping, instrumentation and mechanical equipment often take on a typical arrangement, shape, volumetric density and material composition, it is useful to know the typical acoustic absorption attributable to these items. In this study, reverberation time (RT) measurements were taken at 2 decommissioned gas compressor facilities in order to determine the absorption characteristics of the enclosure. The RT was measured according to ASTM C423-02a. The overall absorption coefficient of a compressor enclosure with a solid liner was found to be similar to that of steel decking. Fittings within the enclosure did not increase the high frequency absorption of the enclosure. It was concluded that room modes, structural vibrations, and fittings may serve to increase the effective absorption at frequencies below 630 Hz. Because of the small dimensions of the enclosure, low-frequency response of the room affected the reliability of the data below 160Hz. Structural vibration of the enclosure was investigated, and may considerably influence the noise breakout from the enclosure apart from the interior acoustical considerations. 4

  17. Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations

    Science.gov (United States)

    2017-01-01

    This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute–water and water–water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy. PMID:28783431

  18. Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations.

    Science.gov (United States)

    Persson, Rasmus A X; Pattni, Viren; Singh, Anurag; Kast, Stefan M; Heyden, Matthias

    2017-09-12

    This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute-water and water-water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy.

  19. Electronically excited states of vitamin B12 and methylcobalamin: theoretical analysis of absorption, CD, and MCD data.

    Science.gov (United States)

    Solheim, Harald; Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M

    2011-02-03

    Linear and quadratic response time-dependent density functional theory (TD-DFT) has been applied to investigate absorption (Abs), circular dichroism (CD), and magnetic CD (MCD) spectra of cyanocobalamin (CNCbl) and methylcobalamin (MeCbl). Although electronically excited states of both cobalamins have been probed by applying different experimental techniques, their exact nature remains poorly understood from an electronic structure point of view. Recent theoretical studies have revealed a lot of relevant information about their properties but also left some unresolved issues related to the nature of individual transitions. In this contribution, not only Abs but also CD and MCD spectra of both cobalamins were computed for direct comparison with experiment. The results were evaluated with respect to the choice of exchange-correlation functional, basis set, and the environment (gas phase or solvent) used in the calculation. Taking into account the complexity of the CNCbl and MeCbl systems, reliable agreement between theory and experiment was achieved based on calculations employing the BP86 functional, particularly for the low-energy α/β bands. This spectral range has been traditionally interpreted as a vibrational progression associated with a single electronic excitation, but according to the present analysis for both cobalamins, these bands are best interpreted as consisting of multiple electronic transitions.

  20. Vibration Mode Observation of Piezoelectric Disk-type Resonator by High Frequency Laser Doppler Vibrometer

    Science.gov (United States)

    Matsumura, Takeshi; Esashi, Masayoshi; Harada, Hiroshi; Tanaka, Shuji

    For future mobile phones based on cognitive radio technology, a compact multi-band RF front-end architecture is strongly required and an integrated multi-band RF filter bank is a key component in it. Contour-mode resonators are receiving increased attention for a multi-band filter solution, because its resonant frequency is mainly determined by its size and shape, which are defined by lithography. However, spurious responses including flexural vibration are also excited due to its thin structure. To improve resonator performance and suppress spurious modes, visual observation with a laser probe system is very effective. In this paper, we have prototyped a mechanically-coupled disk-array filter, which consists of a Si disk and 2 disk-type resonators of higher-order wine-glass mode, and observed its vibration modes using a high-frequency laser-Doppler vibrometer (UHF-120, Polytec, Inc.). As a result, it was confirmed that higher order wine-glass mode vibration included a compound displacement, and that its out-of-plane vibration amplitude was much smaller than other flexural spurious modes. The observed vibration modes were compared with FEM (Finite Element Method) simulation results. In addition, it was also confirmed that the fabrication error, e.g. miss-alignment, induced asymmetric vibration.

  1. High-resolution synchrotron infrared spectroscopy of acrolein: The vibrational levels between 850 and 1020 cm-1

    Science.gov (United States)

    McKellar, A. R. W.; Billinghurst, B. E.; Xu, Li-Hong; Lees, R. M.

    2015-11-01

    Using spectra obtained at the Canadian Light Source synchrotron radiation facility, a previously unobserved out-of-plane vibration of trans-acrolein (propenal) is reliably assigned for the first time. Its origin is at 1002.01 cm-1, which is about 20 cm-1 higher than usually quoted in the past. This mode is thus labelled as v14, leaving the label v15 for the known vibration at 992.66 cm-1. Weak combination bands 171182 ← 182, 171131 ← 131, 121182 ← 181, and 171182 ← 181 are studied for the first time, and assignments in the known v11, v16, and v15 fundamental bands are also extended. The seven excited vibrations involved in these bands are analyzed, together with five more unobserved vibrations in the same region (850-1020 cm-1), in a large 12-state simultaneous fit which accounts for most of the many observed perturbations in the spectra.

  2. DESIGN OF VIBRATION AND NOISE CONTROL SYSTEM FOR FLEXIBLE STRUCTURES

    Directory of Open Access Journals (Sweden)

    В. Макаренко

    2012-04-01

    Full Text Available In the article the control system is created, which is able to reduce steady-state vibration response of thinwalled flexible structure in the wide band of low frequencies. It is supposed, that the flexible structure is subject to external harmonic force with variable frequencies, and parameters of that force are available for the usage by the control system. The control system is based on pattern search algorithm and suggestion about the dependence of signal, which is formed by the control system, from the steady-state vibration response of the flexible structure. Developed software allows to use pattern search algorithm as the control system for plate vibration in real-time. The influence on control system operation of signal delay of executive device of compensating path and transition process after the change of control signal parameters is done by the usage of the additional idle time. During idle time the control signal is supported. It has parameters that have taken place before the beginning of idle mode. Step reset option for resuming of search after the long-term steady-state vibration of flexible structure do not derange control system operation, because step change take place only after polling cycle termination. The efficiency of proposed system is illustrated experimentally on the example of clamped plate. Experimental results analysis showed the necessity of multiple compensating devices application for vibration reduction in wide frequency range.

  3. Magnetorheological elastomer vibration isolation of tunable three-dimensional locally resonant acoustic metamaterial

    Science.gov (United States)

    Xu, Zhenlong; Tong, Jie; Wu, Fugen

    2018-03-01

    Magnetorheological elastomers (MREs) are used as cladding in three-dimensional locally resonant acoustic metamaterial (LRAM) cores. The metamaterial units are combined into a vibration isolator. Two types of LRAMs, namely, cubic and spherical kernels, are constructed. The finite element method is used to analyze the elastic band structures, transmittances, and vibration modes of the incident elastic waves. Results show that the central position and width of the LRAM elastic bandgap can be controlled by the application of an external magnetic field; furthermore, they can be adjusted by changing the MRE cladding thickness. These methods contribute to the design of metamaterial MRE vibration isolators.

  4. Measurement of Translational and Angular Vibration Using a Scanning Laser Doppler Vibrometer

    Directory of Open Access Journals (Sweden)

    A.B. Stanbridge

    1996-01-01

    Full Text Available An experimental procedure for obtaining angular and translational vibration in one measurement, using a continuously scanning laser Doppler vibrometer, is described. Sinusoidal scanning, in a straight line, enables one angular vibration component to be measured, but by circular scanning, two principal angular vibrations and their directions can be derived directly from the frequency response sidebands. Examples of measurements on a rigid cube are given. Processes of narrow-band random excitation and modal analysis are illustrated with reference to measurements on a freely suspended beam. Sideband frequency response references are obtained by using multiplied excitation force and mirror-drive signals.

  5. The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

    Science.gov (United States)

    Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

    2012-01-01

    The A 1B1 interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force elds and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X 1A0 CH2CN?? in order to assist in laboratory studies and astronomical observations. Keywords: Astrochemistry, ISM: molecular anions, Quartic force elds, Rotational constants, Vibrational frequencies

  6. High-Resolution Infrared Spectra and Simultaneous Rovibrational Analysis of the nu2, nu3, nu5, and nu6 Bands of H3SiF.

    Science.gov (United States)

    Papousek; Bürger; Rahner; Schulz; Hollenstein; Quack

    1999-06-01

    A high-resolution FT infrared spectrum of H3SiF (resolution 0.0024 cm-1) in the region 620-1130 cm-1 was measured and used to analyze the fundamental bands nu2 (A1), 990.851 cm-1; nu3 (A1), 875.011 cm-1; nu5 (E), 962.213 cm-1; and nu6 (E), 729.528 cm-1. A total number of 7241 transition wavenumbers (including 53 perturbation-allowed transitions) with J' vibrational levels v2 = 1, v3 = 1, v5 = 1, and v6 = 1. The strongest interaction in this system of levels is the x-y Coriolis coupling between the v2 = 1 and v5 = 1 vibrational states. However, it turns out that the x-y and z-type Coriolis interactions also have to be introduced explicitly between the v5 = 1 and v6 = 1 states as well as the x-y Coriolis interactions between v3 = 1 and v5 = 1, and v3 = 1 and v6 = 1 states, in order to fit the data quantitatively. The standard deviation of the fit was varsigma = 8.6 x 10(-5) cm-1 for 7241 transition wavenumbers and 68 fitted parameters. The sign relations between the fitted parameters and the possibility of fitting the parameters in different schemes are discussed. The results have been used to find close coincidences between the frequencies of the CO2 laser lines and the transition wavenumbers of the nu2 and nu5 bands of H3SiF for the main natural isotopomer. We report integrated absorption band strengths which are important for infrared laser chemistry. Copyright 1999 Academic Press.

  7. Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy

    Science.gov (United States)

    Hung, Chih-Chang; Yabushita, Atsushi; Kobayashi, Takayoshi; Chen, Pei-Feng; Liang, Keng S.

    2017-09-01

    Ultrafast dynamics of endothelial nitric oxide synthase (eNOS) oxygenase domain was studied by transient absorption spectroscopy pumping at Soret band. The broadband visible probe spectrum has visualized the relaxation dynamics from the Soret band to Q-band and charge transfer (CT) band. Supported by two-dimensional correlation spectroscopy, global fitting analysis has successfully concluded the relaxation dynamics from the Soret band to be (1) electronic transition to Q-band (0.16 ps), (2) ligand dissociation and CT (0.94 ps), (3) relaxation of the CT state (4.0 ps), and (4) ligand rebinding (59 ps).

  8. Chaotic vortex induced vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, J.; Sheridan, J. [Fluids Laboratory for Aeronautical and Industrial Research (FLAIR), Department of Mechanical and Aerospace Engineering, Monash University, Melbourne, Victoria 3800 (Australia); Leontini, J. S. [Department of Mechanical and Product Design Engineering, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Lo Jacono, D. [Institut de Mécanique des Fluides de Toulouse (IMFT), CNRS, UPS and Université de Toulouse, 31400 Toulouse (France)

    2014-12-15

    This study investigates the nature of the dynamic response of an elastically mounted cylinder immersed in a free stream. A novel method is utilized, where the motion of the body during a free vibration experiment is accurately recorded, and then a second experiment is conducted where the cylinder is externally forced to follow this recorded trajectory. Generally, the flow response during both experiments is identical. However, particular regimes exist where the flow response is significantly different. This is taken as evidence of chaos in these regimes.

  9. Lattice Vibrations in Chlorobenzenes:

    DEFF Research Database (Denmark)

    Reynolds, P. A.; Kjems, Jørgen; White, J. W.

    1974-01-01

    Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either...

  10. Multi-flexural band gaps in an Euler–Bernoulli beam with lateral local resonators

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ting, E-mail: WT323@mail.nwpu.edu.cn [School of Marine Science and Technology, Northwestern Polytechnical University, Xi' an, Shaanxi, 710072 (China); College of Engineering and Computer Science, The Australian National University, ACT, 2600 (Australia); Sheng, Mei-Ping [School of Marine Science and Technology, Northwestern Polytechnical University, Xi' an, Shaanxi, 710072 (China); Qin, Qing-Hua [College of Engineering and Computer Science, The Australian National University, ACT, 2600 (Australia)

    2016-02-05

    Flexural vibration suppression in an Euler–Bernoulli beam with attached lateral local resonators (LLR) is studied theoretically and numerically. Hamilton's principle and Bloch's theorem are employed to derive the dispersion relation which reveals that two band gaps are generated. Within both band gaps, the flexural waves are partially transformed into longitudinal waves through a four-link-mechanism and totally blocked. The band gaps can be flexibly tuned by changing the geometry parameter of the four-link-mechanism and the spring constants of the resonators. Frequency response function (FRF) from finite element analysis via commercial software of ANSYS shows large flexural wave attenuation within the band gaps and the effect of damping from the LLR substructures which helps smooth and lower the response peaks at the sacrifice of the band gap effect. The existence of the multi-flexural band gaps can be exploited for the design of flexural vibration control of beams. - Highlights: • A metamaterial beam with lateral local resonance is proposed. • The metamaterial beam can generate multi-band gaps for flexural wave suppression. • The substructure can transform the flexural wave into longitudinal wave and absorb the waves. • Damping from different part has different influence on the band gaps. • The design of the metamaterial beam can be used for multi-flexural vibration control.

  11. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.

    1978-08-01

    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given. (WHK)

  12. Absorption heat pump system

    Science.gov (United States)

    Grossman, Gershon

    1984-01-01

    The efficiency of an absorption heat pump system is improved by conducting liquid from a second stage evaporator thereof to an auxiliary heat exchanger positioned downstream of a primary heat exchanger in the desorber of the system.

  13. Quantum dynamics of vibrational excitations and vibrational charge ...

    Indian Academy of Sciences (India)

    Quantum dynamics of vibrational excitations and vibrational charge transfer processes in H+ + O2 collisions at collision energy 23 eV ... The Fritz Haber Research Centre and The Department of Physical Chemisry, Hebrew University of Jerusalem, Jerusalem, Israel 91904; Department of Chemistry, Indian Institute of ...

  14. Novel quad-band terahertz metamaterial absorber based on single pattern U-shaped resonator

    Science.gov (United States)

    Wang, Ben-Xin; Wang, Gui-Zhen

    2017-03-01

    A novel quad-band terahertz metamaterial absorber using four different modes of single pattern resonator is demonstrated. Four obvious frequencies with near-perfect absorption are realized. Near-field distributions of the four modes are provided to reveal the physical picture of the multiple-band absorption. Unlike most previous quad-band absorbers that typically require four or more patterns, the designed absorber has only one resonant structure, which is simpler than previous works. The presented quad-band absorber has potential applications in biological sensing, medical imaging, and material detection.

  15. Optical absorption measurement system

    Science.gov (United States)

    Draggoo, Vaughn G.; Morton, Richard G.; Sawicki, Richard H.; Bissinger, Horst D.

    1989-01-01

    The system of the present invention contemplates a non-intrusive method for measuring the temperature rise of optical elements under high laser power optical loading to determine the absorption coefficient. The method comprises irradiating the optical element with a high average power laser beam, viewing the optical element with an infrared camera to determine the temperature across the optical element and calculating the absorption of the optical element from the temperature.

  16. Self-Affine Graphene Metasurfaces for Tunable Broadband Absorption

    Science.gov (United States)

    Wu, Pin Chieh; Papasimakis, Nikitas; Tsai, Din Ping

    2016-10-01

    Graphene has emerged as a promising platform for THz metasurfaces supporting electrically tunable deep-subwavelength plasmonic excitations. Here, we introduce a broadband graphene metasurface based on the Hilbert curve, a continuous, space-filling fractal. We demonstrate the enhancement of graphene absorption over a broad frequency band (0.5-60 THz) with an average absorption level exceeding 20%. Owing to the continuous nature of the metasurface patterns, both the absorption level and the bandwidth can be controlled electrically by varying the graphene charge-carrier concentration.

  17. Pseudopotential calculations and photothermal lensing measurements of two-photon absorption in solids

    Energy Technology Data Exchange (ETDEWEB)

    White, W.T. III

    1985-11-04

    We have studied two-photon absorption in solids theoretically and experimentally. We have shown that it is possible to use accurate band structure techniques to compute two-photon absorption spectra within 15% of measured values in a wide band-gap material, ZnS. The empirical pseudopotential technique that we used is significantly more accurate than previous models of two-photon absorption in zinc blende materials, including present tunneling theories (which are essentially parabolic-band results in disguise) and the nonparabolic-band formalism of Pidgeon et al. and Weiler. The agreement between our predictions and previous measurements allowed us to use ZnS as a reference material in order to validate a technique for measuring two-photon absorption that was previously untried in solids, pulsed dual-beam thermal lensing. With the validated technique, we examined nonlinear absorption in one other crystal (rutile) and in several glasses, including silicates, borosilicates, and one phosphate glass. Initially, we believed that the absorption edges of all the materials were comparable; however, subsequent evidence suggested that the effective band-gap energies of the glasses were above the energy of two photons in our measurement. Therefore, we attribute the nonlinear absorption that we observed in glasses to impurities or defects. The measured nonlinear absorption coefficients were of the order of a few cm/TW in the glasses and of the order of 10 cm/GW in the crystals, four orders of magnitude higher than in glasses. 292 refs.

  18. Infrared diffuse interstellar bands

    Science.gov (United States)

    Galazutdinov, G. A.; Lee, Jae-Joon; Han, Inwoo; Lee, Byeong-Cheol; Valyavin, G.; Krełowski, J.

    2017-05-01

    We present high-resolution (R ˜ 45 000) profiles of 14 diffuse interstellar bands in the ˜1.45 to ˜2.45 μm range based on spectra obtained with the Immersion Grating INfrared Spectrograph at the McDonald Observatory. The revised list of diffuse bands with accurately estimated rest wavelengths includes six new features. The diffuse band at 15 268.2 Å demonstrates a very symmetric profile shape and thus can serve as a reference for finding the 'interstellar correction' to the rest wavelength frame in the H range, which suffers from a lack of known atomic/molecular lines.

  19. Novel Molecular Spectroscopic Multimethod Approach for Monitoring Water Absorption/Desorption Kinetics of CAD/CAM Poly(Methyl Methacrylate) Prosthodontics.

    Science.gov (United States)

    Wiedemair, Verena; Mayr, Sophia; Wimmer, Daniel S; Köck, Eva Maria; Penner, Simon; Kerstan, Andreas; Steinmassl, Patricia-Anca; Dumfahrt, Herbert; Huck, Christian W

    2017-07-01

    Water absorbed to poly(methyl methacrylate) (PMMA)-based CAD/CAM (computer-assisted design/computer-assisted manufacturing) prosthodontics can alter their properties including hardness and stability. In the present contribution, water absorption and desorption kinetics under defined experimental conditions were monitored employing several supplementary and advanced Fourier transform infrared (FT-IR) spectroscopic techniques in combination with multivariate analysis (MVA). In this synergistic vibrational spectroscopic multimethod approach, first a novel near-infrared (NIR) diffuse fiber optic probe reflection spectroscopic method was established for time-resolved analysis of water uptake within seven days under controlled conditions. Near-infrared water absorbance spectra in a wavenumber range between 5288-5100 cm-1 (combination band) and 5424-5352 cm-1 (second overtone) were used establishing corresponding calibration and validation models to quantify the amount of water in the milligram range. Therefore, 14 well-defined samples exposed to prior optimized experimental conditions were taken into consideration. The average daily water uptake conducting reference analysis was calculated as 22 mg/day for one week. Additionally, in this study for the first time NIR two-dimensional correlation spectroscopy (2D-COS) was conducted to monitor and interpret the spectral dynamics of water absorption on the prosthodontics in a wavenumber range of 5100-5300 cm-1. For sensitive time-resolved recording of water desorption, a recently developed high-temperature, high-pressure FT-IR reaction cell with water-free ultra-dry in situ and operando operation was applied. The reaction cell, as well as the sample holder, was fully made of quartz glass, with no hot metal or ceramic parts in the vicinity of the high temperature zone. Applying a temperature gradient in the range of 25-150 ℃, mid-infrared (MIR) 2D-COS was successfully conducted to get insights into the dynamic

  20. Literature survey on anti-vibration gloves

    CSIR Research Space (South Africa)

    Sampson, E

    2003-08-01

    Full Text Available ............................................................................................................... 1 2. HAND ARM VIBRATION SYNDROME (HAVS).......................................................... 2 2.1 Hand-arm vibration................................................. Error! Bookmark not defined. 2.2 Human Response to vibration...

  1. Quantum dynamics of an optical cavity coupled to a thin semitransparent membrane: Effect of membrane absorption

    Energy Technology Data Exchange (ETDEWEB)

    Biancofiore, C.; Karuza, M.; Galassi, M.; Natali, R.; Vitali, D. [School of Science and Technology, Physics Division, University of Camerino, via Madonna delle Carceri, 9, I-62032 Camerino (Italy) and INFN, Sezione di Perugia (Italy); Tombesi, P.; Di Giuseppe, G. [School of Science and Technology, Physics Division, University of Camerino, via Madonna delle Carceri, 9, I-62032 Camerino (Italy) and INFN, Sezione di Perugia (Italy); CriptoCam S.r.l., via Madonna delle Carceri 9, I-62032 Camerino (Italy)

    2011-09-15

    We study the quantum dynamics of the cavity optomechanical system formed by a Fabry-Perot cavity with a thin vibrating membrane at its center. We determine in particular to what extent optical absorption by the membrane hinders reaching a quantum regime for the cavity-membrane system. We show that even though membrane absorption may significantly lower the cavity finesse and also heat the membrane, one can still simultaneously achieve ground state cooling of a vibrational mode of the membrane and stationary optomechanical entanglement with state-of-the-art apparatuses.

  2. Absorption cooling device. Absorptions-Kuehlvorrichtung

    Energy Technology Data Exchange (ETDEWEB)

    Bourne, J.; Vardi, I.; Kimchi, Y.; Ben-Dror, J.

    1980-03-25

    The invention concerns improvements of absorption refrigerators, where a lithium chloride or lithium bromide/water cycle is used. According to the invention an inner separating or dividing structure between different functional parts of a machine of this type is provided. The structure contains two sections of wall, which are separated from one another by a suitable space, in order to achieve thermal insulation. This air space is provided with an opening in the direction towards the inside of the container and the opening is shielded to prevent the entry of liquids (in liquid or spray form).

  3. Band gap opening in graphene: a short theoretical study

    Science.gov (United States)

    Sahu, Sivabrata; Rout, G. C.

    2017-03-01

    Graphene, being a gapless semiconductor, cannot be used in pristine form for nano-electronic applications. Therefore, it is essential to generate a finite gap in the energy dispersion at Dirac point. We present here the tight-binding model Hamiltonian taking into account of various interactions for tuning band gap in graphene. The model Hamiltonian describes the hopping of the π-electrons up to third nearest-neighbours, substrate effects, Coulomb interaction at two sub-lattices, electron-phonon interaction in graphene-on-substrates and high phonon frequency vibrations, besides the bi-layer graphene. We have solved the Hamiltonian using Zubarev's double time single particle Green's function technique. The quasi-particle energies, electron band dispersions, the expression for effective band gap and the density of states (DOS) are calculated numerically. The results are discussed by varying different model parameters of the system. It is observed that the electron DOS and band dispersion exhibit linear energy dependence near Dirac point for nearest-neighbour hopping integral. However, the second and third nearest-neighbour hoppings provide asymmetry in DOS. The band dispersions exhibit wider band gaps with stronger substrate effect. The modified gap in graphene-on-substrate attains its maximum value for Coulomb interaction energy U_{{C}} = 1.7 t1. The critical Coulomb interaction is enhanced to U_{{C}} = 2.5 t1 to produce maximum band gap in the presence of electron-phonon interaction and phonon vibration. The bi-layer graphene exhibits Mexican hat type band gap near Dirac point for transverse gating potential. The other conclusions for the present work are described in the text.

  4. Broadband reflectionless metamaterials with customizable absorption-transmission-integrated performance

    Science.gov (United States)

    Shen, Yang; Zhang, Jieqiu; Pang, Yongqiang; Li, Yongfeng; Zheng, QiQi; Wang, Jiafu; Ma, Hua; Qu, Shaobo

    2017-08-01

    Broadband reflectionless metamaterials with customizable absorption-transmission-integrated performance are proposed, discussed, and demonstrated in this paper. The three-dimensional metamaterial absorbers (MAs) consist of multilayered metal-insulator composition which are introduced here for broadband electromagnetic wave absorption. The frequency selective surfaces (FSSs) backed on the bottom also help achieve multi-transmissions inside or outside of the absorption band. Simulations indicate that diversiform combinations of the MAs and the FSSs will contribute more choice of customizable absorption-transmission-integrated performance. Compared with the foregoing designs, the three-dimensional MAs used here possess broadband absorption with abrupt transition zone which are easier to achieve absorption-transmission-integrated performance with almost no reflection during the entire frequency band. Meanwhile, the simple component and the easy fabrication also make it possible for the absorption-transmission-integrated metamaterials (ATMAs) to be referenced at higher frequencies, such as infrared or optical frequencies. At last, an experimental proof is given at the microwave frequencies. The good agreement between simulation and measurement indicates that our proposed ATMAs will exhibit great potential applications, for example, stealth technology, communication security, and selective multi-frequency sensing.

  5. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  6. Band gap tuning and room temperature ferromagnetism in Co doped Zinc stannate nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sumithra, S., E-mail: ssmithra@gmail.com; Victor Jaya, N.

    2016-07-15

    The effect of Co doping on structural, optical and magnetic behavior of pure and Co doped Zinc stannate (ZTO) nanostructures was investigated. Pure and Co (1%, 3% & 5%) doped Zn{sub 2}SnO{sub 4} compounds were prepared through simple precipitation route. Formation of cubic inverse spinel structure and metal oxide vibrations of the samples were investigated using XRD and FTIR. Co doping influences the crystallite size producing micro strain in ZTO lattice. Poly dispersed rod like shape of the particles was examined by FESEM. Elemental composition of prepared samples was identified by EDAX analysis. Optical Absorption spectra shows significant red shift on increasing the dopant concentration which indicates the reduction in optical band gap. Visible luminescence observed from photoluminescence studies confirms the presence of oxygen vacancies and trap sites in the lattice. Magnetization analysis reveals the enhanced ferromagnetic behavior in all Co doped ZTO samples. The amplified ferromagnetic ordering in Co doped ZTO compounds has been explained in terms of defects serving as free spin polarized prophetic carriers.

  7. Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon.

    Science.gov (United States)

    Soulard, P; Tremblay, B

    2015-12-14

    The van der Waals complex of H2O with CO2 has attracted considerable theoretical interest as a typical example of a weak binding complex with a dissociation energy less than 3 kcal/mol. Up to now, experimental vibrational data are sparse. We have studied by FTIR the complexes involving CO2 and water molecules in solid neon. Many new absorption bands close to the well known monomers fundamentals give evidence for at least three (CO2)n-(H2O)m complexes, noted n:m. Concentration effects combined with a detailed vibrational analysis allow for the identification of sixteen, twelve, and five transitions for the 1:1, 1:2, and 2:1 complexes, respectively. Careful examination of the far infrared spectral region allows the assignment of several 1:1 and 1:2 intermolecular modes, confirmed by the observation of combinations of intra + intermolecular transitions, and anharmonic coupling constants have been derived. Our results demonstrate the high sensibility of the solid neon isolation to investigate the hydrogen-bonded complexes in contrast with the gas phase experiments for which two quanta transitions cannot be easily observed.

  8. Importance of C*-H based modes and large amplitude motion effects in vibrational circular dichroism spectra: the case of the chiral adduct of dimethyl fumarate and anthracene.

    Science.gov (United States)

    Passarello, Marco; Abbate, Sergio; Longhi, Giovanna; Lepri, Susan; Ruzziconi, Renzo; Nicu, Valentin Paul

    2014-06-19

    The role played by the C*-H based modes (C* being the chiral carbon atom) and the large amplitude motions in the vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra is investigated. The example of an adduct of dimethyl fumarate and anthracene, i.e., dimethyl-(+)-(11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate, and two deuterated isotopomers thereof specially synthesized for this goal, are considered. By comparing the experimental and DFT calculated spectra of the undeuterated and deuterated species, we demonstrate that the C*-H bending, rocking, and stretching modes in the VA and VCD spectra are clearly identified in well defined spectroscopic features. Further, significant information about the conformer distribution is gathered by analyzing the VA and VCD data of both the fingerprint and the C-H stretching regions, with particular attention paid to the band shape data. Effects related to the large amplitude motions of the two methoxy moieties have been simulated by performing linear transit (LT) calculations, which consists of varying systematically the relative positions of the two methoxy moieties and calculating VCD spectra for the partially optimized structures obtained in this way. The LT method allows one to improve the quality of calculated spectra, as compared to experimental results, especially in regard to relative intensities and bandwidths.

  9. Laparoscopic gastric banding - discharge

    Science.gov (United States)

    ... heart disease Gastric bypass surgery Laparoscopic gastric banding Obesity Obstructive sleep apnea - adults Type 2 diabetes Patient Instructions Weight-loss surgery - after - what to ask your doctor Weight- ...

  10. A terahertz polarization insensitive dual band metamaterial absorber.

    Science.gov (United States)

    Ma, Yong; Chen, Qin; Grant, James; Saha, Shimul C; Khalid, A; Cumming, David R S

    2011-03-15

    Metamaterial absorbers have attracted considerable attention for applications in the terahertz range. In this Letter, we report the design, fabrication, and characterization of a terahertz dual band metamaterial absorber that shows two distinct absorption peaks with high absorption. By manipulating the periodic patterned structures as well as the dielectric layer thickness of the metal-dielectric-metal structure, significantly high absorption can be obtained at specific resonance frequencies. Finite-difference time-domain modeling is used to design the structure of the absorber. The fabricated devices have been characterized using a Fourier transform IR spectrometer. The experimental results show two distinct absorption peaks at 2.7 and 5.2 THz, which are in good agreement with the simulation. The absorption magnitudes at 2.7 and 5.2 THz are 0.68 and 0.74, respectively.

  11. Effect of pyridine on infrared absorption spectra of copper phthalocyanine.

    Science.gov (United States)

    Singh, Sukhwinder; Tripathi, S K; Saini, G S S

    2008-02-01

    Infrared absorption spectra of copper phthalocyanine in KBr pellet and pyridine solution in 400-1625 and 2900-3200 cm(-1)regions are reported. In the IR spectra of solid sample, presence of weak bands, which are forbidden according to the selection rules of D4h point group, is explained on the basis of distortion in the copper phthalocyanine molecule caused by the crystal packing effects. Observation of a new band at 1511 cm(-1) and change in intensity of some other bands in pyridine are interpreted on the basis of coordination of the solvent molecule with the central copper ion.

  12. Vibrational Sensing in Marine Invertebrates

    Science.gov (United States)

    1997-09-30

    VIBRATIONAL SENSING IN MARINE INVERTEBRATES Peter A. Jumars School of Oceanography University of Washington Box 357940 Seattle, WA 98195-7940 (206...DATES COVERED 00-00-1997 to 00-00-1997 4. TITLE AND SUBTITLE Vibrational Sensing in Marine Invertebrates 5a. CONTRACT NUMBER 5b. GRANT NUMBER

  13. Vibrations and Stability: Solved Problems

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    Worked out solutions for exercise problems in J. J. Thomsen 'Vibrations and Stability: Advanced Theory, Analysis, and Tools', Springer, Berlin - Heidelberg, 2003.......Worked out solutions for exercise problems in J. J. Thomsen 'Vibrations and Stability: Advanced Theory, Analysis, and Tools', Springer, Berlin - Heidelberg, 2003....

  14. Vibrational and theoretical study of selected diacetylenes.

    Science.gov (United States)

    Roman, Maciej; Baranska, Malgorzata

    2013-11-01

    Six commonly used disubstituted diacetylenes with short side-chains (RCCCCR, where R=CH2OH, CH2OPh, C(CH3)2OH, C(CH3)3, Si(CH3)3, and Ph) were analyzed using vibrational spectroscopy and quantum-chemical calculations to shed new light on structural and spectroscopic properties of these compounds. Prior to that the conformational analysis of diacetylenes was performed to search the Potential Energy Surface for low-energy minima. Theoretical investigations were followed by the potential energy distribution (PED) analysis to gain deeper insight into FT-Raman and FT-IR spectra that, in some cases, were recorded for the first time for the studied compounds. The analysis was focused mainly on spectral features of the diacetylene system sensitive to the substitution. Shifts of the characteristic bands and changes in bond lengths were observed when changing the substituent. Furthermore, Fermi resonance was observed in the vibrational spectra of some diacetylenes. FT-IR spectra were measured by using two methods, i.e. transmission (with KBr substrate) and Attenuated Total Reflection (ATR), showing the latter adequate and fast tool for IR measurements of diacetylenes. Additionally, Surface Enhanced Raman Spectroscopy (SERS) was applied for phenyl derivative for the first time to study its interaction with metallic nanoparticles that seems to be perpendicular. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. The origins of vibration theory

    Science.gov (United States)

    Dimarogonas, A. D.

    1990-07-01

    The Ionian School of natural philosophy introduced the scientific method of dealing with natural phenomena and the rigorous proofs for abstract propositions. Vibration theory was initiated by the Pythagoreans in the fifth century BC, in association with the theory of music and the theory of acoustics. They observed the natural frequency of vibrating systems and proved that it is a system property and that it does not depend on the excitation. Pythagoreans determined the fundamental natural frequencies of several simple systems, such as vibrating strings, pipes, vessels and circular plates. Aristoteles and the Peripatetic School founded mechanics and developed a fundamental understanding of statics and dynamics. In Alexandrian times there were substantial engineering developments in the field of vibration. The pendulum as a vibration, and probably time, measuring device was known in antiquity, and was further developed by the end of the first millennium AD.

  16. A Polarization-Dependent Frequency-Selective Metamaterial Absorber with Multiple Absorption Peaks

    Directory of Open Access Journals (Sweden)

    Guangsheng Deng

    2017-06-01

    Full Text Available A polarization-dependent, frequency-selective metamaterial (MM absorber based on a single-layer patterned resonant structure intended for F frequency band is proposed. The design, fabrication, and measurement for the proposed absorber are presented. The absorber’s absorption properties at resonant frequencies have unique characteristics of a single-band, dual-band, or triple-band absorption for different polarization of the incident wave. The calculated surface current distributions and power loss distribution provide further understanding of physical mechanism of resonance absorption. Moreover, a high absorption for a wide range of TE-polarized oblique incidence was achieved. Hence, the MM structure realized on a highly flexible polyimide film, makingthe absorber suitable for conformal geometry applications. The proposed absorber has great potential in the development of polarization detectors and polarizers.

  17. Detection of trans-isomers of hydrocarbon residues of lipid molecules by IR absorption

    Science.gov (United States)

    Mikhalovsky, I. S.; Samoylov, M. V.; Wileishikova, N. P.

    2009-01-01

    IR spectroscopy is used for a comparative analysis of the trans-isomerization of double bonds in hydrocarbon residuals of lactic and hydrogenated lipids. The maximum of the absorption band of the trans-isomers for all the lipid samples is found to lie at 965 cm-1. An absorption band at 970 cm-1 is discovered in the spectra of the lactic lipids near the analytic band of the trans-isomers at 965 cm-1. Based on a gaussian approximation for their absorption spectral bands, the trans-isomer content in the lactic lipid samples is 10-11%. The absorption by lipid molecules at 970 cm-1 has to be taken into account when determining the trans-isomer content of fat and oil products.

  18. Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes

    Science.gov (United States)

    Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.

    2017-07-01

    Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).

  19. Hand vibration: non-contact measurement of local transmissibility.

    Science.gov (United States)

    Scalise, Lorenzo; Rossetti, Francesco; Paone, Nicola

    2007-10-01

    Grip and push forces required for the use of vibrating tools are considered important influencing inputs for the assessment of hand-vibration transmissibility (TR). At present TR measurements are usually referred to the palm of the hand The aims of the present paper are: to present an original measurement procedure for non-contact assessment of the transmissibility of fingers; to report TR data measured on six points of the hand of nine subjects; to correlate TR with: grip, push, hand volume and BMI. Tests have been carried out using a cylindrical handle mounted on an shaker. A laser Doppler vibrometer is used to measure the vibration velocity. Push force is measured using a force platform, whereas grip force is measured using a capacitive pressure sensor matrix wrapped around the handle. Tests have been conducted on nine healthy subjects. Proximal and distal regions of the second, fourth and fifth fingers have been investigated. Tests were carried out using a push force of: 25, 50 and 75 N. The excitation signal was a broadband random vibration in the band 16-400 Hz with un-weighted rms acceleration level of 6 m/s(2). Results show how in general TR values measured on distal points are higher respect to the proximal points. A resonance peak is present for all the measured points in the band 55-80 Hz. ANOVA analysis showed that TR is not significantly dependent on: BMI, hand volume and push force alone. While TR is significantly dependent on: grip force alone, measurement positions and grip and push force together. The proposed procedure shows the advantage to allow local vibration measurement directly on the fingers without the necessity to apply any contact sensor. Results demonstrate how the transmissibility is significantly different on the point where the acceleration is measured.

  20. Optically active vibrational modes of PPV derivatives on textile substrate

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.A.T. da, E-mail: seaquinhos@uel.br [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Dias, I.F.L. [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Santos, E.P. dos; Martins, A.A. [Departamento de Fisica, Universidade Vale do Paraiba-UNIVAP, Avenida Shishima Hifumi, 2911, CEP 12244-000 Sao Jose dos Campos, Sao Paulo (Brazil); Duarte, J.L.; Laureto, E.; Reis, G.A. dos [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Guimaraes, P.S.S.; Cury, L.A. [Departamento de Fisica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, C.P. 702, Belo Horizonte, CEP 30123-970 Minas Gerais (Brazil)

    2013-02-15

    In this work, MEH-PPV and BDMO-PPV films were deposited by spin-coating on 'dirty' textile substrates of canvas, nylon, canvas with resin, jeans and on glass and the temperature dependence of the optical properties of them was studied by photoluminescence and Raman (300 K) techniques. The temperature dependence of the energy, of the half line width at half height of the purely electronic peak, of the integrated PL intensity and of the Huang-Rhys factor, S=I{sub (01)}/I{sub (00)}, were obtained directly from the PL spectrum. For an analysis of the vibrational modes involved, Raman measurements were performed on substrates with and without polymers deposited and the results compared with those found in the literature. The films of MEH-PPV and BDMO-PPV showed optical properties similar to those films deposited on other substrates such as glass, metals, etc. It was observed an inversion of the first vibrational band in relation to the purely electronic peak with increasing temperature in the films deposited on nylon and canvas. The vibrational modes obtained by Raman were used to compose the simulation of the PL line shape of BDMO-PPV films on canvas and nylon, using a model proposed by Lin [29]. - Highlights: Black-Right-Pointing-Pointer MEH-PPV and BDMO-PPV films were deposited by spin-coating on dirty textile. Black-Right-Pointing-Pointer Their properties were studied by photoluminescence and Raman techniques. Black-Right-Pointing-Pointer We observed inversion of first vibrational band in relation to purely electronic peak. Black-Right-Pointing-Pointer Optically active vibrational modes of PPV derivatives were studied.

  1. Band gap effects of hexagonal boron nitride using oxygen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Sevak Singh, Ram; Leong Chow, Wai [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yingjie Tay, Roland [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Hon Tsang, Siu [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Mallick, Govind [Temasek Laboratories-NTU, 50 Nanyang Avenue, Singapore 639798 (Singapore); Weapons and Materials Research Directorate, U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Tong Teo, Edwin Hang, E-mail: htteo@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

    2014-04-21

    Tuning of band gap of hexagonal boron nitride (h-BN) has been a challenging problem due to its inherent chemical stability and inertness. In this work, we report the changes in band gaps in a few layers of chemical vapor deposition processed as-grown h-BN using a simple oxygen plasma treatment. Optical absorption spectra show a trend of band gap narrowing monotonically from 6 eV of pristine h-BN to 4.31 eV when exposed to oxygen plasma for 12 s. The narrowing of band gap causes the reduction in electrical resistance by ∼100 fold. The x-ray photoelectron spectroscopy results of plasma treated hexagonal boron nitride surface show the predominant doping of oxygen for the nitrogen vacancy. Energy sub-band formations inside the band gap of h-BN, due to the incorporation of oxygen dopants, cause a red shift in absorption edge corresponding to the band gap narrowing.

  2. Four-band Hamiltonian for fast calculations in intermediate-band solar cells

    Science.gov (United States)

    Luque, Antonio; Panchak, Aleksandr; Vlasov, Alexey; Martí, Antonio; Andreev, Viacheslav

    2016-02-01

    The 8-dimensional Luttinger-Kohn-Pikus-Bir Hamiltonian matrix may be made up of four 4-dimensional blocks. A 4-band Hamiltonian is presented, obtained from making the non-diagonal blocks zero. The parameters of the new Hamiltonian are adjusted to fit the calculated effective masses and strained QD bandgap with the measured ones. The 4-dimensional Hamiltonian thus obtained agrees well with measured quantum efficiency of a quantum dot intermediate band solar cell and the full absorption spectrum can be calculated in about two hours using Mathematica© and a notebook. This is a hundred times faster than with the commonly-used 8-band Hamiltonian and is considered suitable for helping design engineers in the development of nanostructured solar cells.

  3. Central cooling: absorptive chillers

    Energy Technology Data Exchange (ETDEWEB)

    Christian, J.E.

    1977-08-01

    This technology evaluation covers commercially available single-effect, lithium-bromide absorption chillers ranging in nominal cooling capacities of 3 to 1,660 tons and double-effect lithium-bromide chillers from 385 to 1,060 tons. The nominal COP measured at operating conditions of 12 psig input steam for the single-effect machine, 85/sup 0/ entering condenser water, and 44/sup 0/F exiting chilled-water, ranges from 0.6 to 0.65. The nominal COP for the double-effect machine varies from 1.0 to 1.15 with 144 psig entering steam. Data are provided to estimate absorption-chiller performance at off-nominal operating conditions. The part-load performance curves along with cost estimating functions help the system design engineer select absorption equipment for a particular application based on life-cycle costs. Several suggestions are offered which may be useful for interfacing an absorption chiller with the remaining Integrated Community Energy System. The ammonia-water absorption chillers are not considered to be readily available technology for ICES application; therefore, performance and cost data on them are not included in this evaluation.

  4. Protonation Reaction of Benzonitrile Radical Anion and Absorption of Product

    DEFF Research Database (Denmark)

    Holcman, Jerzy; Sehested, Knud

    1975-01-01

    The rate constant for the protonation of benzonitrile radical anions formed in pulse radiolysis of aqueous benzonitrile solutions is (3.5 ± 0.5)× 1010 dm3 mol–1 s–1. A new 270 nm absorption band is attributed to the protonated benzonitrile anion. The pK of the protonation reaction is determined...

  5. Emission and absorption cross section of thulium doped silica fibers

    DEFF Research Database (Denmark)

    Agger, Søren Dyøe; Povlsen, Jørn Hedegaard

    2006-01-01

    A thorough investigation of the emission and absorption spectra of the (F-3(4),H-3(6)) band in thulium doped silica fibers has been performed. All the basic parameters of thulium in silica have been extracted with the purpose of further analysis in laser and amplifier simulations. The experimental...

  6. Final Report: Vibrational Dynamics in Photoinduced Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Kenneth G. Spears

    2006-04-19

    The objective of this grant was to understand how molecular vibrational states (geometry distortions) are involved in photoinduced electron transfer rates of molecules. This subject is an important component of understanding how molecular absorbers of light convert that energy into charge separation. This is important because the absorption usually excites molecular vibrations in a new electronic state prior to electron transfer to other molecules or semiconductor nanoparticles, as in some types of solar cells. The speeds of charge separation and charge recombination are key parameters that require experiments such as those in this work to test the rules governing electron transfer rates. Major progress was made on this goal. Some of the molecular structures selected for developing experimental data were bimolecular charge transfer complexes that contained metals of cobalt or vanadium. The experiments used the absorption of an ultrafast pulse of light to directly separate charges onto the two different molecular parts of the complex. The charge recombination then proceeds naturally, and one goal was to measure the speed of this recombination for different types of molecular vibrations. We used picosecond and femtosecond duration pulses with tunable colors at infrared wavelengths to directly observe vibrational states and their different rates of charge recombination (also called electron transfer). We discovered that different contact geometries in the complexes had very different electron transfer rates, and that one geometry had a significant dependence on the amount of vibration in the complex. This is the first and only measurement of such rates, and it allowed us to confirm our interpretation with a number of molecular models and test the sensitivity of electron transfer to vibrational states. This led us to develop a general theory, where we point out how molecular distortions can change the electron transfer rates to be much faster than prior theories

  7. Interfacial Infrared Vibrational Spectroscopy.

    Science.gov (United States)

    1986-07-30

    aqueous sulphuric acid has been used as the electrolyte, bands in the 900 to 1250 cmŕ region are often observed, and these can be assigned to...high angles of incidence. Fig. 2 shows that Ep is maximized for angles of incidence near 80. For aqueous acid solutions the largest angle of incidence...from a change in dielectric function of the electrode producing a difference in reflectivity of the electrode at the two potentials defining the

  8. The 14 mu m band of carbon stars

    NARCIS (Netherlands)

    Yamamura, [No Value; de Jong, T; Waters, LBFM; Cami, J; Justtanont, K; LeBertre, T; Lebre, A; Waelkens, C

    1999-01-01

    We have studied the absorption bands around 14 mum in the spectra of 11 carbon stars with mass-loss rates ranging from 10(-8) to 10(-4) M-circle dot yr(-1), based on data obtained with the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO). All stars clearly show a

  9. Optical absorption of dilute nitride alloys using self-consistent Green's function method.

    Science.gov (United States)

    Seifikar, Masoud; O'Reilly, Eoin P; Fahy, Stephen

    2014-01-01

    We have calculated the optical absorption for InGaNAs and GaNSb using the band anticrossing (BAC) model and a self-consistent Green's function (SCGF) method. In the BAC model, we include the interaction of isolated and pair N levels with the host matrix conduction and valence bands. In the SCGF approach, we include a full distribution of N states, with non-parabolic conduction and light-hole bands, and parabolic heavy-hole and spin-split-off bands. The comparison with experiments shows that the first model accounts for many features of the absorption spectrum in InGaNAs; including the full distribution of N states improves this agreement. Our calculated absorption spectra for GaNSb alloys predict the band edges correctly but show more features than are seen experimentally. This suggests the presence of more disorder in GaNSb alloys in comparison with InGaNAs.

  10. Absolute linestrengths in the H2O2 nu6 band

    Science.gov (United States)

    May, Randy D.

    1991-01-01

    Absolute linestrengths at 295 K have been measured for selected lines in the nu6 band of H2O2 using a tunable diode-laser spectrometer. H2O2 concentrations in a flowing gas mixture were determined by ultraviolet (uv) absorption at 254 nm using a collinear infrared (ir) and uv optical arrangement. The measured linestrengths are approx. 60 percent larger than previously reported values when absorption by hot bands in H2O2 is taken into account.

  11. Vibrational spectroscopy and analysis of pseudo-tetrahedral complexes with metal imido bonds.

    Science.gov (United States)

    Mehn, Mark P; Brown, Steven D; Jenkins, David M; Peters, Jonas C; Que, Lawrence

    2006-09-04

    A number of assignments have been previously posited for the metal-nitrogen stretch (nu(M-NR)), the N-R stretch (nu(MN-R)), and possible ligand deformation modes associated with terminally bound imides. Here we examine mononuclear iron(III) and cobalt(III) imido complexes of the monoanionic tridentate ligand [PhBP3] ([PhBP3] = [PhB(CH2PPh2)3]-) to clarify the vibrational features for these trivalent metal imides. We report the structures of [PhBP3]FeNtBu and [PhBP3]CoNtBu. Pseudo-tetrahedral metal imides of these types exhibit short bond lengths (ca. 1.65 A) and nearly linear angles about the M-N-C linkages, indicative of multiple bond character. Furthermore, these compounds give rise to intense, low-energy visible absorptions. Both the position and the intensity of the optical bands in the [PhBP3]MNR complexes depend on whether the substituent is an alkyl or aryl group. Excitation into the low-energy bands of [PhBP3]FeNtBu gives rise to two Raman features at 1104 and 1233 cm(-1), both of which are sensitive to 15N and 2H labeling. The isotope labeling suggests the 1104 cm(-1) mode has the greatest Fe-N stretching character, while the 1233 cm(-1) mode is affected to a lesser extent by (15)N substitution. The spectra of the deuterium-labeled imides further support this assertion. The data demonstrate that the observed peaks are not simple diatomic stretching modes but are extensively coupled to the vibrations of the ancillary organic group. Therefore, describing these complexes as simple diatomic or even triatomic oscillators is an oversimplification. Analogous studies of the corresponding cobalt(III) complex lead to a similar set of isotopically sensitive resonances at 1103 and 1238 cm(-1), corroborating the assignments made in the iron imides. Very minimal changes in the vibrational frequencies are observed upon replacement of cobalt(III) for iron(III), suggesting similar force constants for the two compounds. This is consistent with the previously proposed

  12. Vibrationally Driven Hydrogen Abstraction Reaction by Bromine Radical in Solution

    Science.gov (United States)

    Shin, Jae Yoon; Shalowski, Michael A.; Crim, F. Fleming

    2013-06-01

    Previously, we have shown that preparing reactants in specific vibrational states can affect the product state distribution and branching ratios in gas phase reactions. In the solution phase, however, no vibrational mediation study has been reported to date. In this work, we present our first attempt of vibrationally mediated bimolecular reaction in solution. Hydrogen abstraction from a solvent by a bromine radical can be a good candidate to test the effect of vibrational excitation on reaction dynamics because this reaction is highly endothermic and thus we can suppress any thermally initiated reaction in our experiment. Br radical quickly forms CT (charge transfer) complex with solvent molecule once it is generated from photolysis of a bromine source. The CT complex strongly absorbs visible light, which allows us to use electronic transient absorption for tracking Br radical population. For this experiment, we photolyze bromoform solution in dimethyl sulfoxide (DMSO) solvent with 267 nm to generate Br radical and excite the C-H stretch overtone of DMSO with 1700 nm a few hundred femtoseconds after the photolysis. Then, we monitor the population of Br-DMSO complex with 400 nm as a function of delay time between two pump beams and probe beam. As a preliminary result, we observed the enhancement of loss of Br-DMSO complex population due to the vibrational excitation. We think that increased loss of Br-DMSO complex is attributed to more loss of Br radical that abstracts hydrogen from DMSO and it is the vibrational excitation that promotes the reaction. To make a clear conclusion, we will next utilize infrared probing to directly detect HBr product formation.

  13. Molecular iodine laser with wide-band optical pumping by polychannel cumulative discharge of magnetoplasma compressor

    Energy Technology Data Exchange (ETDEWEB)

    Kamrukov, A.S.; Kashnikov, G.N.; Kozlov, N.P.; Kuznetsov, S.G.; Orlov, V.K.; Protasov, Yu.S.

    1982-02-26

    Lasing is achieved in iodine vapor in experiments with wide-band optical pumping by the emission of a polychannel cumulative discharge of a magnetoplasma compressor. The active medium was excited by radiation from a shock-heated plasma formed by collision and accumulation of high-velocity head-on plasma streams produced by six magnetoplasma compressors 1 arranged in groups of three on each side of discharge chamber 2. The inside diameter of the chamber was 120 mm, and length was 300 mm. Two identical cells 3 containing the active substance were placed inside the chamber parallel to its axis. The cells were made of stainless steel with three flat windows of MgF/sub 2/ through which the pumping radiation was coupled into the active medium. On the end flanges of the cells were either quartz windows for studying luminescence characteristics, or adjustable quartz mirrors to form an optical cavity (laser cells). Brightness of the shock-compressed plasma in the iodine absorption band was enhanced by a xenon atmosphere of 1 to 3 torr in the discharge chamber. The use of a cumulative discharge in low-pressure gas instead of a vacuum discharge enabled effective tuning of the plasma emission spectrum. The buffer gas in the working cells was perfluoromethane. Lasing was observed on 342.0 and 342.4 nm corresponding to transitions with vibrational numbers of 1 to 14 and 2 to 15. Lasing pulse duration at half-amplitude was 1 to 1.5 ..mu..s.

  14. Realistic absorption coefficient of ultrathin films

    Science.gov (United States)

    Cesaria, M.; Caricato, A. P.; Martino, M.

    2012-10-01

    Both a theoretical algorithm and an experimental procedure are discussed of a new route to determine the absorption/scattering properties of thin films deposited on transparent substrates. Notably, the non-measurable contribution of the film-substrate interface is inherently accounted for. While the experimental procedure exploits only measurable spectra combined according to a very simple algorithm, the theoretical derivation does not require numerical handling of the acquired spectra or any assumption on the film homogeneity and substrate thickness. The film absorption response is estimated by subtracting the measured absorption spectrum of the bare substrate from that of the film on the substrate structure but in a non-straightforward way. In fact, an assumption about the absorption profile of the overall structure is introduced and a corrective factor accounting for the relative film-to-substrate thickness. The method is tested on films of a well known material (ITO) as a function of the film structural quality and influence of the film-substrate interface, both deliberately changed by thickness tuning and doping. Results are found fully consistent with information obtained by standard optical analysis and band gap values reported in the literature. Additionally, comparison with a conventional method demonstrates that our route is generally more accurate even if particularly suited for very thin films.

  15. [Synthesis, characterization and study on vibration spectra of potassium triborate].

    Science.gov (United States)

    Zhang, Jin-Ping; Sun, Yong; Yang, Gang; Li, Zuo-Hu

    2007-07-01

    Potassium triborate was synthesized with potassium carbonate and boric acid by controlling suitable feed mixture ratio, reaction temperature and dehydration temperature in the self-designed boiling reactor. According to chemical analysis, the formula of the synthetics was monohydrate potassium triborate (KB3O5 x H2O). It's structure was characterized by XRD, FTIR, Raman and TG, and it was found by XRD analysis that the synthetics was amorphous solid. FTIR and Raman spectroscopy anal-ysis show that three coordination B(3) -O bond, four coordination B(4) -O bond, and hydroxy and triborate anions existed in the formula of the synthetics. Thermogravimetric (TG) analysis show that the groups which can lose mono-water existed in the formula of the synthetics, and structural formula of the synthetics was deduced as K[B3O4 (OH)2]. Vibration spectra of the synthetics were studied, including FTIR and Raman spectroscopy. Vibration absorption peaks of some main groups of the synthetics were investigated, including three coordination B(3) -O bond and four coordination B(4) -O bond that are the main existing forms of boron atoms in the synthetics as well as other groups, and each vibration absorption peak was assigned.

  16. Sub-millimetre wave absorption spectra of artificial RNA molecules

    CERN Document Server

    Globus, T; Woolard, D; Gelmont, B

    2003-01-01

    We demonstrate submillimetre-wave Fourier transform spectroscopy as a novel technique for biological molecule characterization. Transmission measurements are reported at frequencies 10-25 cm sup - sup 1 for single- and double-stranded RNA molecules of known base-pair sequences: homopolymers poly[A], poly[U], poly[C] and poly[G], and double-stranded homopolymers poly[A]-poly[U] and poly[C]-poly[G]. Multiple resonances are observed (i.e. in the microwave through terahertz frequency regime). We also present a computational method to predict the low-frequency absorption spectra of short artificial DNA and RNA. Theoretical conformational analysis of molecules was utilized to derive the low-frequency vibrational modes. Oscillator strengths were calculated for all the vibrational modes in order to evaluate their weight in the absorption spectrum of a molecule. Normal modes and absorption spectra of the double-stranded RNA chain poly[C]-poly[G] were calculated. The absorption spectra extracted from the experiment wer...

  17. The ammonia absorption behavior on Jupiter during 2005-2015

    Science.gov (United States)

    Tejfel, Victor G.; V.G.Tejfel, V.D.Vdovichenko, A.M.Karimov, P.G.Lysenko, , G.A.Kirienko, , V.A.Filippov, G.A.Kharitonova, A.S. Khozhenetz

    2017-10-01

    V.G.Tejfel, V.D.Vdovichenko, A.M.Karimov, P.G.Lysenko, , G.A.Kirienko, , V.A.Filippov, G.A.Kharitonova, A.S. KhozhenetzFessenkov Astrophysical Institute, Almaty, KazakhstanWe measured the intensity of the 645 and 787 nm NH3 absorption bands in five latitudinal belts of Jupiter (STrZ, SEB, EZ, NEB and NTrZ) during almost full period of its revolution around the Sun: from 2005 to 2015. The variations in the equivalent widths of the bands were investigated. The permanently lowered intensity of the 787 nm NH3 band in NEB is confirmed. There are also some systematic differences in latitudinal and temporal variations between the 645 and 787 nm ammonia bands. The equivalent width of the 787 nm NH3 band was averaged for all years of observations. Its maximum (W = 18.95 ± 0.75 A) corresponds to EZ, its minimum (W = 15.82 ± 0.68 A) corresponds to NEB. The 645 nm NH3 band shows the maximum in SEB (W = 6.78 ± 0.45 A), and the minimum in NTrZ (W = 5.38 ± 0.36 A). The weakened ammonia absorption is also observed in the Great Red Spot. However, this is due to the increased density of the clouds inside the Spot storm, but not to decreased gaseous ammonia abundance, in contrast to NEB. The brightness temperature of GRS in the infrared and millimeter ranges of thermal radiation is lower, in contrast to NEB, where an increased brightness temperature is observed. The enhanced cloud density may explain also a pretty high brightness of GRS observed in strong methane absorption bands such as the 887 nm CH4 band and more long waved ones.

  18. Vibrational spectra, electronic absorption, nonlinear optical properties, evaluation of bonding, chemical reactivity and thermodynamic properties of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate molecule by ab initio HF and density functional methods.

    Science.gov (United States)

    Singh, R N; Rawat, Poonam; Sahu, Sangeeta

    2015-01-25

    In this work, detailed vibrational spectral analysis of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (EHCHEDPC) molecule has been carried out using FT-IR spectroscopy and potential energy distribution (PED). Theoretical calculations were performed by ab initio RHF and density functional theory (DFT) method, using 6-31G(d,p) and 6-311+G(d,p) basis sets. The other carried outwork cover: structural, thermodynamic properties, electronic transitions, bonding, multiple interaction, chemical reactivity and hyperpolarizability analysis. The results of the calculation were applied to the simulated spectra of (EHCHEDPC), which show excellent agreement with observed spectra. The vibrational analysis shows red shift in both group, the proton donor (pyrrole N-H) and proton acceptor (C=O of ester) indicating the presence of intermolecular hydrogen bonding. Time dependent density functional theory (TD-DFT) has been used to find electronic excitations and their nature. The results of natural bond orbital (NBOs) analysis show the charges transfer and delocalization in various intra- and intermolecular interactions. The binding energy of intermolecular multiple interactions is calculated to be 12.54 kcal mol(-1) using QTAIM calculation. The electronic descriptors analyses reveal the investigated molecule used as precursor for heterocyclic derivatives synthesis. First hyperpolarizability (β0) has been computed to evaluate non-linear optical (NLO) response. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

    Science.gov (United States)

    Zhang, W.-D.; Bykhovski, A.; Deibel, J. A.; Brown, E. R.

    2017-07-01

    The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.

  20. Temperature measurement using ultraviolet laser absorption of carbon dioxide behind shock waves.

    Science.gov (United States)

    Oehlschlaeger, Matthew A; Davidson, David F; Jeffries, Jay B

    2005-11-01

    A diagnostic for microsecond time-resolved temperature measurements behind shock waves, using ultraviolet laser absorption of vibrationally hot carbon dioxide, is demonstrated. Continuous-wave laser radiation at 244 and 266 nm was employed to probe the spectrally smooth CO2 ultraviolet absorption, and an absorbance ratio technique was used to determine temperature. Measurements behind shock waves in both nonreacting and reacting (ignition) systems were made, and comparisons with isentropic and constant-volume calculations are reported.