Sample records for atomic spectra

  1. Atomic Spectra Database (ASD) (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  2. Vibration spectra of single atomic nanocontacts

    Energy Technology Data Exchange (ETDEWEB)

    Bourahla, B [Laboratoire de Physique et Chimie Quantique, Departement de Physique, Faculte des Sciences, Universite Mouloud Mammeri de Tizi-Ouzou, 15000 Tizi-Ouzou (Algeria); Khater, A [Laboratoire de Physique de l' Etat Condense UMR 6087, Universite du Maine, 72085 Le Mans (France); Rafil, O [Laboratoire de Physique de l' Etat Condense UMR 6087, Universite du Maine, 72085 Le Mans (France); Tigrine, R [Laboratoire de Physique et Chimie Quantique, Departement de Physique, Faculte des Sciences, Universite Mouloud Mammeri de Tizi-Ouzou, 15000 Tizi-Ouzou (Algeria)


    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy.

  3. Students' Mental Models of Atomic Spectra (United States)

    Körhasan, Nilüfer Didis; Wang, Lu


    Mental modeling, which is a theory about knowledge organization, has been recently studied by science educators to examine students' understanding of scientific concepts. This qualitative study investigates undergraduate students' mental models of atomic spectra. Nine second-year physics students, who have already taken the basic chemistry and…

  4. The New NIST Atomic Spectra Database (United States)

    Kelleher, D. E.; Martin, W. C.; Wiese, W. L.; Sugar, J.; Fuhr, J. R.; Olsen, K.; Musgrove, A.; Mohr, P. J.; Reader, J.; Dalton, G. R.

    The new Atomic Spectra Database (ASD), Version 2.0, of the National Institute of Standards and Technology (NIST) contains significantly more data and covers a wider range of atomic and ionic transitions and energy levels than earlier versions. All data are integrated. It also has a new user interface and search engine. ASD contains spectral reference data which have been critically evaluated and compiled by NIST. Version 2.0 contains data on 900 spectra, with about 70000 energy levels and 91000 lines ranging from about 1 Ångström to 200 micrometers, roughly half of which have transition probabilities with estimated uncertainties. References to the NIST compilations and original data sources are listed in the ASD bibliography. A detailed “Help” file serves as a user's manual, and full search and filter capabilities are provided.

  5. Spreadsheet-Based Program for Simulating Atomic Emission Spectra (United States)

    Flannigan, David J.


    A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

  6. Harmonic polynomials, hyperspherical harmonics, and atomic spectra (United States)

    Avery, John Scales


    The properties of monomials, homogeneous polynomials and harmonic polynomials in d-dimensional spaces are discussed. The properties are shown to lead to formulas for the canonical decomposition of homogeneous polynomials and formulas for harmonic projection. Many important properties of spherical harmonics, Gegenbauer polynomials and hyperspherical harmonics follow from these formulas. Harmonic projection also provides alternative ways of treating angular momentum and generalised angular momentum. Several powerful theorems for angular integration and hyperangular integration can be derived in this way. These purely mathematical considerations have important physical applications because hyperspherical harmonics are related to Coulomb Sturmians through the Fock projection, and because both Sturmians and generalised Sturmians have shown themselves to be extremely useful in the quantum theory of atoms and molecules.

  7. PREFACE: Atomic Spectra and Oscillator Strengths (ASOS9) Atomic Spectra and Oscillator Strengths (ASOS9) (United States)

    Wahlgren, Glenn M.; Wiese, Wolfgang L.; Beiersdorfer, Peter


    For the first time since its inaugural meeting in Lund in 1983, the triennial international conference on Atomic Spectroscopy and Oscillator Strengths for Astrophysical and Laboratory Plasmas (ASOS) returned to Lund, Sweden. Lund has been a home to atomic spectroscopy since the time of Janne Rydberg, and included the pioneering work in laboratory and solar spectroscopy by Bengt Edlén, who presented the initial ASOS talk in 1983. The ninth ASOS was hosted by the Lund Observatory and Physics Department of Lund University, 7-10 August 2007, and was attended by 99 registrants. An encouraging sign for the field was the number of young researchers in attendance. This volume of Physica Scripta contains contributions from the invited presentations of the conference. For the first time, papers from the ASOS9 poster presentations have been made feely available online in a complementary volume of Journal of Physics: Conference Series. With these two volumes the character of ASOS9 is more evident, and together they serve as a review of the state of atomic spectroscopy for spectrum analysis and the determination of oscillator strengths and their applications. The goal of ASOS is to be a forum for atomic spectroscopy, where both the providers and the users of atomic data, which includes wavelengths, energy levels, lifetimes, oscillator strengths and line shape parameters, can meet to discuss recent advances in experimental and theoretical techniques and their application to understanding the physical processes that are responsible for producing observed spectra. The applications mainly originate from the fields of astrophysics and plasma physics, which includes fusion energy and lighting research. The oral presentations, all but one of which are presented in this volume, provided an extensive synopsis of techniques currently in use and those that are being planned. New to ASOS9 was the extent to which techniques such as cold, trapped atoms and molecules and frequency combs are

  8. Compton spectra of atoms at high x-ray intensity (United States)

    Son, Sang-Kil; Geffert, Otfried; Santra, Robin


    Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton scattering from atoms dominantly comes from bound electrons in neutral atoms, neglecting contributions from bound electrons in ions and free (ionized) electrons. In contrast, in the high x-ray intensity regime, the sample experiences severe ionization via x-ray multiphoton multiple ionization dynamics. Thus, it becomes necessary to take into account all the contributions to the Compton scattering signal when atoms are exposed to high-intensity x-ray pulses provided by x-ray free-electron lasers (XFELs). In this paper, we investigate the Compton spectra of atoms at high x-ray intensity, using an extension of the integrated x-ray atomic physics toolkit, xatom. As the x-ray fluence increases, there is a significant contribution from ionized electrons to the Compton spectra, which gives rise to strong deviations from the Compton spectra of neutral atoms. The present study provides not only understanding of the fundamental XFEL-matter interaction but also crucial information for single-particle imaging experiments, where Compton scattering is no longer negligible. , which features invited work from the best early-career researchers working within the scope of J. Phys. B. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Sang-Kil Son was selected by the Editorial Board of J. Phys. B as an Emerging Leader.

  9. Atomic transition probabilities of Ce I from Fourier transform spectra (United States)

    Lawler, J. E.; Chisholm, J.; Nitz, D. E.; Wood, M. P.; Sobeck, J.; Den Hartog, E. A.


    Atomic transition probabilities for 2874 lines of the first spectrum of cerium (Ce I) are reported. These data are from new branching fraction measurements on Fourier transform spectra normalized with previously reported radiative lifetimes from time-resolved laser-induced-fluorescence measurements (Den Hartog et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 085006). The wavelength range of the data set is from 360 to 1500 nm. Comparisons are made to previous investigations which are less extensive. Accurate Ce i transition probabilities are needed for lighting research and development on metal halide high-intensity discharge lamps.

  10. Atomic transition probabilities of Ce I from Fourier transform spectra

    Energy Technology Data Exchange (ETDEWEB)

    Lawler, J E; Wood, M P; Den Hartog, E A [Department of Physics, University of Wisconsin, 1150 University Ave., Madison, WI 53706 (United States); Chisholm, J [Department of Physics, Boston College, 140 Commonwealth Ave., Chestnut Hill, MA 02467 (United States); Nitz, D E [Department of Physics, St. Olaf College, 1520 St. Olaf Ave., Northfield, MN 55057 (United States); Sobeck, J, E-mail: jelawler@wisc.ed, E-mail: chishojd@bc.ed, E-mail: nitz@stolaf.ed, E-mail: mpwood@wisc.ed, E-mail: jsobeck@uchicago.ed, E-mail: eadenhar@wisc.ed [Department of Astronomy and Astrophysics, University of Chicago, 5640 Ellis Ave., Chicago, IL 60637 (United States)


    Atomic transition probabilities for 2874 lines of the first spectrum of cerium (Ce I) are reported. These data are from new branching fraction measurements on Fourier transform spectra normalized with previously reported radiative lifetimes from time-resolved laser-induced-fluorescence measurements (Den Hartog et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 085006). The wavelength range of the data set is from 360 to 1500 nm. Comparisons are made to previous investigations which are less extensive. Accurate Ce i transition probabilities are needed for lighting research and development on metal halide high-intensity discharge lamps.

  11. Lyapunov spectra and conjugate-pairing rule for confined atomic fluids

    DEFF Research Database (Denmark)

    Bernadi, Stefano; Todd, B.D.; Hansen, Jesper Schmidt


    In this work we present nonequilibrium molecular dynamics simulation results for the Lyapunov spectra of atomic fluids confined in narrow channels of the order of a few atomic diameters. We show the effect that realistic walls have on the Lyapunov spectra. All the degrees of freedom of the confined...... the spectrum reflects the presence of two different dynamics in the system: one for the unthermostatted fluid atoms and the other one for the thermostatted and tethered wall atoms. In particular the Lyapunov spectrum of the whole system does not satisfy the conjugate-pairing rule. Two regions are instead...

  12. Integrated spectroscopic modeling of atomic and molecular gases (United States)

    Goldenstein, Christopher S.; Miller, Victor A.; Mitchell Spearrin, R.; Strand, Christopher L.


    SpectraPlot is a web-based application for simulating spectra of atomic and molecular gases. At the time this manuscript was written, SpectraPlot consisted of four primary tools for calculating: (1) atomic and molecular absorption spectra, (2) atomic and molecular emission spectra, (3) transition linestrengths, and (4) blackbody emission spectra. These tools currently employ the NIST ASD, HITRAN2012, and HITEMP2010 databases to perform line-by-line simulations of spectra. SpectraPlot employs a modular, integrated architecture, enabling multiple simulations across multiple databases and/or thermodynamic conditions to be visualized in an interactive plot window. The primary objective of this paper is to describe the architecture and spectroscopic models employed by SpectraPlot in order to provide its users with the knowledge required to understand the capabilities and limitations of simulations performed using SpectraPlot. Further, this manuscript discusses the accuracy of several underlying approximations used to decrease computational time, in particular, the use of far-wing cutoff criteria.

  13. The generalized sturmian method for calculating spectra of atoms and ions

    DEFF Research Database (Denmark)

    Avery, James Emil; Avery, John Scales


    The properties of generalized Sturmian basis sets are reviewed, and functions of this type are used to perform direct configuration interaction calculations on the spectra of atoms and ions. Singlet excited states calculated in this way show good agreement with experimentally measured spectra. When...... the generalized Sturmian method is applied to atoms, the configurations are constructed from hydrogenlike atomic orbitals with an effective charge which is characteristic of the configuration. Thus, orthonormality between the orbitals of different configurations cannot be assumed, and the generalized Slater...

  14. The FTS atomic spectrum tool (FAST) for rapid analysis of line spectra (United States)

    Ruffoni, M. P.


    The FTS Atomic Spectrum Tool (FAST) is an interactive graphical program designed to simplify the analysis of atomic emission line spectra obtained from Fourier transform spectrometers. Calculated, predicted and/or known experimental line parameters are loaded alongside experimentally observed spectral line profiles for easy comparison between new experimental data and existing results. Many such line profiles, which could span numerous spectra, may be viewed simultaneously to help the user detect problems from line blending or self-absorption. Once the user has determined that their experimental line profile fits are good, a key feature of FAST is the ability to calculate atomic branching fractions, transition probabilities, and oscillator strengths-and their uncertainties-which is not provided by existing analysis packages. Program SummaryProgram title: FAST: The FTS Atomic Spectrum Tool Catalogue identifier: AEOW_v1_0 Program summary URL: Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 293058 No. of bytes in distributed program, including test data, etc.: 13809509 Distribution format: tar.gz Programming language: C++. Computer: Intel x86-based systems. Operating system: Linux/Unix/Windows. RAM: 8 MB minimum. About 50-200 MB for a typical analysis. Classification: 2.2, 2.3, 21.2. Nature of problem: Visualisation of atomic line spectra including the comparison of theoretical line parameters with experimental atomic line profiles. Accurate intensity calibration of experimental spectra, and the determination of observed relative line intensities that are needed for calculating atomic branching fractions and oscillator strengths. Solution method: FAST is centred around a graphical interface, where a user may view sets of experimental line profiles and compare

  15. Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX (United States)

    Fuselier, S. A.; Allegrini, F.; Bzowski, M.; Funsten, H. O.; Ghielmetti, A. G.; Gloeckler, G.; Heirtzler, D.; Janzen, P.; Kubiak, M.; Kucharek, H.; hide


    Since 2008 December, the Interstellar Boundary Explorer (IBEX) has been making detailed observations of neutrals from the boundaries of the heliosphere using two neutral atom cameras with overlapping energy ranges. The unexpected, yet defining feature discovered by IBEX is a Ribbon that extends over the energy range from about 0.2 to 6 keV. This Ribbon is superposed on a more uniform, globally distributed heliospheric neutral population. With some important exceptions, the focus of early IBEX studies has been on neutral atoms with energies greater than approx. 0.5 keV. With nearly three years of science observations, enough low-energy neutral atom measurements have been accumulated to extend IBEX observations to energies less than approx. 0.5 keV. Using the energy overlap of the sensors to identify and remove backgrounds, energy spectra over the entire IBEX energy range are produced. However, contributions by interstellar neutrals to the energy spectrum below 0.2 keV may not be completely removed. Compared with spectra at higher energies, neutral atom spectra at lower energies do not vary much from location to location in the sky, including in the direction of the IBEX Ribbon. Neutral fluxes are used to show that low energy ions contribute approximately the same thermal pressure as higher energy ions in the heliosheath. However, contributions to the dynamic pressure are very high unless there is, for example, turbulence in the heliosheath with fluctuations of the order of 50-100 km/s.

  16. Multifractal spectra of atomic force microscope images of amorphous electroless Ni Cu P alloy (United States)

    Yu, Hui-Sheng; Sun, Xia; Luo, Shou-Fu; Wang, Yong-Rui; Wu, Zi-Qin


    The surface topographies of Si/TiN/Pd substrate and amorphous electroless Ni-13.1 wt.% Cu-9.3 wt.% P alloy deposited for various times were measured by atomic force microscope (AFM). Multifractal spectra f( α) show that the longer the deposition time, the wider the spectrum, and the larger the Δ f (Δ f= f( αmin)- f( αmax)). It is apparent that the nonuniformity of the height distribution increases with the increasing deposition time, and the nodules of Ni-Cu-P alloy grow in both horizontal and vertical way. These results show that the AFM images can be characterized by the multifractal spectra.

  17. Atomic physics modeling of transmission spectra of Sc-doped aerogel foams to support OMEGA experiments

    Energy Technology Data Exchange (ETDEWEB)

    Johns, H. M., E-mail:; Lanier, N. E.; Kline, J. L.; Fontes, C. J.; Perry, T. S.; Fryer, C. L.; Sherrill, M. E. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Brown, C. R. D.; Morton, J. W. [AWE Aldermaston, Berkshire, Reading RG7 4PR (United Kingdom); Hager, J. D. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Lockheed-Martin, 497 Electronics Parkway, Syracuse, New York 13221 (United States)


    We present synthetic transmission spectra generated with PrismSPECT utilizing both the ATBASE model and the Los Alamos opacity library (OPLIB) to evaluate whether an alternative choice in atomic data will impact modeling of experimental data from radiation transport experiments using Sc-doped aerogel foams (ScSi{sub 6}O{sub 12} at 75 mg/cm{sup 3} density). We have determined that in the 50-200 eV T{sub e} range there is a significant difference in the 1s-3p spectra, especially below 100 eV, and for T{sub e} = 200 eV above 5000 eV in photon energy. Examining synthetic spectra generated using OPLIB with 300 resolving power reveals spectral sensitivity to T{sub e} changes of ∼3 eV.

  18. Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate (United States)

    Ordon, Piotr; Komorowski, Ludwik; Jedrzejewski, Mateusz


    Theoretical justification has been provided to the method for monitoring the sequence of chemical bonds' rearrangement along a reaction path, by tracing the evolution of the diagonal elements of the Hessian matrix. Relations between the divergences of Hellman-Feynman forces and the energy and electron density derivatives have been demonstrated. By the proof presented on the grounds of the conceptual density functional theory formalism, the spectral amplitude observed on the atomic fragility spectra [L. Komorowski et al., Phys. Chem. Chem. Phys. 18, 32658 (2016)] reflects selectively the electron density modifications in bonds of an atom. In fact the spectral peaks for an atom reveal changes of the electron density occurring with bonds creation, breaking, or varying with the reaction progress.


    Energy Technology Data Exchange (ETDEWEB)

    Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Ricca, Alessandra, E-mail:, E-mail: [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Mountain View, CA 94043 (United States)


    The loss of one hydrogen from C{sub 96}H{sub 24} does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare.

  20. Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation (United States)

    Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín


    Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two…

  1. Blind deconvolution of time-of-flight mass spectra from atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, L.J.S., E-mail: [Linköping University, Department of Physics, Chemistry, and Biology (IFM), Linköping SE-581 83 (Sweden); Thuvander, M.; Stiller, K. [Chalmers University of Technology, Department of Applied Physics, Gothenburg, SE-412 96 (Sweden); Odén, M.; Hultman, L. [Linköping University, Department of Physics, Chemistry, and Biology (IFM), Linköping SE-581 83 (Sweden)


    A major source of uncertainty in compositional measurements in atom probe tomography stems from the uncertainties of assigning peaks or parts of peaks in the mass spectrum to their correct identities. In particular, peak overlap is a limiting factor, whereas an ideal mass spectrum would have peaks at their correct positions with zero broadening. Here, we report a method to deconvolute the experimental mass spectrum into such an ideal spectrum and a system function describing the peak broadening introduced by the field evaporation and detection of each ion. By making the assumption of a linear and time-invariant behavior, a system of equations is derived that describes the peak shape and peak intensities. The model is fitted to the observed spectrum by minimizing the squared residuals, regularized by the maximum entropy method. For synthetic data perfectly obeying the assumptions, the method recovered peak intensities to within ±0.33at%. The application of this model to experimental APT data is exemplified with Fe–Cr data. Knowledge of the peak shape opens up several new possibilities, not just for better overall compositional determination, but, e.g., for the estimation of errors of ranging due to peak overlap or peak separation constrained by isotope abundances. - Highlights: • A method for the deconvolution of atom probe mass spectra is proposed. • Applied to synthetic randomly generated spectra the accuracy was ±0.33 at. • Application of the method to an experimental Fe–Cr spectrum is demonstrated.

  2. Controlling residual hydrogen gas in mass spectra during pulsed laser atom probe tomography. (United States)

    Kolli, R Prakash


    Residual hydrogen (H2) gas in the analysis chamber of an atom probe instrument limits the ability to measure H concentration in metals and alloys. Measuring H concentration would permit quantification of important physical phenomena, such as hydrogen embrittlement, corrosion, hydrogen trapping, and grain boundary segregation. Increased insight into the behavior of residual H2 gas on the specimen tip surface in atom probe instruments could help reduce these limitations. The influence of user-selected experimental parameters on the field adsorption and desorption of residual H2 gas on nominally pure copper (Cu) was studied during ultraviolet pulsed laser atom probe tomography. The results indicate that the total residual hydrogen concentration, HTOT, in the mass spectra exhibits a generally decreasing trend with increasing laser pulse energy and increasing laser pulse frequency. Second-order interaction effects are also important. The pulse energy has the greatest influence on the quantity HTOT, which is consistently less than 0.1 at.% at a value of 80 pJ.

  3. High-precision three-dimensional atom localization via phase-sensitive absorption spectra in a four-level atomic system (United States)

    Zhang, Duo; Yu, Rong; Sun, Zhaoyu; Ding, Chunling; Zubairy, M. Suhail


    We propose a new scheme for highly efficient three-dimensional (3D) atom localization in a coherently driven closed-loop four-level atomic system via measuring the probe absorption of the weak field. Due to the spatially dependent atom–field interaction, the absorption spectra of the weak probe laser field carry the information about the atomic position. By solving the density-matrix equations of motion and properly modulating the system parameters such as the probe detuning, the relative phase of three driving fields, and the intensity of the control and microwave fields, we can realize high-precision and high-resolution 3D atom localization. Furthermore, we can find the atom at a certain position with 100% probability under appropriate conditions, and then we employ the dressed-state analysis to explain qualitatively the reason of high-precision 3D atom localization.

  4. Role of geometry on the frequency spectra of U-shaped atomic force microscope probes (United States)

    Rezaei, E.; Turner, J. A.


    Contact resonance atomic force microscopy (CR-AFM) is a specific technique that is used to determine elastic or viscoelastic properties of materials. The success of this technique is highly dependent on the accuracy of frequency spectra that must be measured for both noncontact and the case in which the tip is in contact with the sample of interest. Thus, choosing the right probe is crucial for accurate experiments. U-shaped probes also offer new opportunities for CR-AFM measurements because of certain specific modes that have tip motion parallel to the sample surface such that these resonances can access in-plane sample properties. However, analysis of the spectra from U-shaped probes is much more challenging due to these modes. The geometry of these probes is the main driver for the spectral response. Here, this influence on the resonance frequencies of the commercially fabricated U-shaped probe AN2-300 is evaluated with respect to geometry in terms of leg width, crossbeam width, and crossbeam length. Both noncontact and contact cases are examined with respect to variations of the nominal geometry. An energy distribution approach is also presented to assist with the identification of modes that have close resonances. Finally, this analysis allows recommendations to be made in order to minimize the convergence of multiple resonances for a specific range of measurement parameters.

  5. Isotope Effects on Delayed Annihilation Time Spectra of Antiprotonic Helium Atoms in Low-Temperature Gas

    CERN Document Server

    Ketzer, B; Daniel, H; Von Egidy, T; Niestroj, A; Schmid, S; Schmid, W; Yamazaki, T; Sugai, I; Nakayoshi, K; Hayano, R S; Maas, F E; Torii, H A; Ishikawa, T; Tamura, H; Morita, N; Horváth, D; Eades, John; Widmann, E


    The delayed annihilation time spectra (DATS) of antiprotonic helium atoms have been studied in isotopically pure low temperature ^3He and ^4He gas at various densities. The DATS taken at 5.8~K and 400~mbar are very similar in shape except for i) a small difference in the time scale and ii) the presence of a distinct fast decay component in the case of ^3He. The ratio of overall trapping times (mean lifetimes against annihilation), R = T_{\\mathrm{trap}}(\\mbox{^{4}He})/T_{\\mathrm{trap}}(\\mbox{^{3}He}), has been determined to be 1.144 \\pm 0.009, which is in good agreement with a theoretical estimate yielding R = [(M^*(\\mbox{\\overline{\\mathrm{p}}}\\mbox{^{4}He})/ M^*(\\mbox{\\overline{ \\mathrm{p}}}\\mbox{^{3}He})]^2=1.14, where M^* denotes the reduced mass of the \\mbox{\\overline{\\mathrm{p}}}\\mbox{He^{++}}\\ system. The presence of a short-lived component with a lifetime of (0.154\\pm 0.007)\\ \\mbox{\\mus} in the case of \\mbox{^{3}He}\\ suggests that the \\mbox{\\overline{\\mathrm{p}}}\\mbox{^{3}He^{+}}\\ atom has a state of in...

  6. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals (United States)

    Hartmann, S. R.; Happer, W.


    The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.

  7. Displacement cross sections and PKA spectra: tables and applications. [Neutron damage energy cross sections to 20 MeV, primary knockon atom spectra to 15 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Doran, D G; Graves, N J


    Damage energy cross sections to 20 MeV are given for aluminum, vanadium, chromium, iron, nickel, copper, zirconium, niobium, molybdenum, tantalum, tungsten, lead, and 18Cr10Ni stainless steel. They are based on ENDF/B-IV nuclear data and the Lindhard energy partition model. Primary knockon atom (PKA) spectra are given for aluminum, iron, niobium, tantalum, and lead for neutron energies up to 15 MeV at approximately one-quarter lethargy intervals. The contributions of various reactions to both the displacement cross sections (taken to be proportional to the damage energy cross sections) and the PKA spectra are presented graphically. Spectral-averaged values of the displacement cross sections are given for several spectra, including approximate maps for the Experimental Breeder Reactor-II (EBR-II) and several positions in the Fast Test Reactor (FTR). Flux values are included to permit estimation of displacement rates. Graphs show integral PKA spectra for the five metals listed above for neutron spectra corresponding to locations in the EBR-II, the High Flux Isotope Reactor (HFIR), and a conceptual fusion reactor (UWMAK-I). Detailed calculations are given only for cases not previously documented. Uncertainty estimates are included.

  8. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy? (United States)

    Rittenhouse, Robert C.


    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  9. Ab Initio Calculations of X-ray Spectra : Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes

    NARCIS (Netherlands)

    Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon; Foehlisch, Alexander; de Groot, Frank; Wernet, Philippe; Odelius, Michael


    A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic multiplet effects. We show here calculated L-edge X-ray absorption (XA) and resonant inelastic X-ray scattering spectra

  10. Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines

    Energy Technology Data Exchange (ETDEWEB)

    Bidermane, I., E-mail: [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Institut des Nanosciences de Paris, UPMC Univ. Paris 06, CNRS UMR 7588, F-75005 Paris (France); Brumboiu, I.E. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Totani, R. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Grazioli, C. [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Departement of Chemical and Pharmaceutical Sciences, University of Trieste (Italy); Shariati-Nilsson, M.N.; Herper, H.C.; Eriksson, O.; Sanyal, B. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden); Ressel, B. [University of Nova Gorica, Vipavska Cesta 11c, 5270 Ajdovščina (Slovenia); Simone, M. de [CNR-IOM, Laboratorio TASC, ss. 14 km. 163.5, Basovizza, 34149 Trieste (Italy); Lozzi, L. [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, Coppito, I-67010 L’Aquila (Italy); Brena, B.; Puglia, C. [Department of Physics and Astronomy, Uppsala University, Box-516, 75120 Uppsala (Sweden)


    Highlights: • In detail comparison between the valence band structure of H{sub 2}Pc, FePc and MnPc. • Comparison between the gas phase samples and thin evaporated films on Au (1 1 1). • Detailed analysis of the atomic orbital contributions to the valence band features. • DFT/HSE06 study of the valence band electronic structure of H{sub 2}Pc, FePc and MnPc. - Abstract: The present work reports a photoelectron spectroscopy study of the low-energy region of the valence band of metal-free phthalocyanine (H{sub 2}Pc) compared with those of iron phthalocyanine (FePc) and manganese phthalocyanine (MnPc). We have analysed in detail the atomic orbital composition of the valence band both experimentally, by making use of the variation in photoionization cross-sections with photon energy, and theoretically, by means of density functional theory. The atomic character of the Highest Occupied Molecular Orbital (HOMO), reflected on the outermost valence band binding energy region, is different for MnPc as compared to the other two molecules. The peaks related to the C 2p contributions, result in the HOMO for H{sub 2}Pc and FePc and in the HOMO-1 for MnPc as described by the theoretical predictions, in very good agreement with the experimental results. The DFT simulations, discerning the atomic contribution to the density of states, indicate how the central metal atom interacts with the C and N atoms of the molecule, giving rise to different partial and total density of states for these three Pc molecules.

  11. Atomic shell structures observed in photoionization spectra of nickel and cobalt clusters

    Energy Technology Data Exchange (ETDEWEB)

    Vialle, J.L. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Pellarin, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Baguenard, B. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Lerme, J. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Broyer, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire


    Nickel and cobalt clusters have been studied by near threshold laser-photoionization and time-of-flight mass spectrometry. In the size domain from 50 up to 800 atoms, the mass distributions of the photoionized products look very similar for nickel and cobalt clusters. In both cases a regular structure is observed which is periodic on a N{sup 1/3} scale. It is found to be consistent with the filling of successive icosahedral shells of atoms. The recurring details of this structure agree with the so-called umbrellas model. (orig.)

  12. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine) (United States)

    Singh, J. S.


    FT-IR (400-4000 cm-1) and Raman spectra (200-4000 cm-1) of uracil and 5-methyluracil (thymine) have been recorded and analyzed. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-methyluracil (thymine) by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with the available experimental assignments and helped to propose in the reassignments of some missing frequencies in experimental study. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) for all 39 normal vibrational modes of 5-methyluracil are given by 26a‧ + 13a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 9 modes (5a‧ + 4a″) to the CH3 group. Consistent assignments have been made for the internal modes of CH3 group, especially for the anti-symmetric CH3 stretching and bending modes. A possible explanation could be the planarity of pyrimidine ring and non-planarity at carbon site of methyl group which might cause the splitting of frequencies including three components due to the substitution of CH3 group at the site of C5 atom on pyrimidine ring of uracil. The three non-equivalent CH bonds of CH3

  13. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil (United States)

    Singh, J. S.


    Infrared (IR) and Raman spectra of uracil and 5-aminouracil have been recorded and analyzed between the region 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke’s exchange in conjunction with Lee-Yang-Parr’s correlation functional and Becke’s three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-aminouracil by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, the most of B3LYP/6-311++G** vibrational frequencies are in the excellent agreement with available experimental assignments and helped in the reassignments of some fundamental vibrational modes. On the basis of calculated results, the assignments of some missing frequencies in the experimental study are proposed. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) are given by 25a‧ + 11a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 6 modes (4a‧ + 2a″) to the NH2 group. Kekule ring stretching mode is found to be comparatively higher frequency magnitude than the mode of uracil due to the involvement of hydrogen bonding of amino group. But, the ring breathing is found to be lower frequency magnitude compared to those for uracil which could be due to mass effect of the NH2 group in place of the hydrogen atom. All other bands have also been assigned different fundamentals/overtones/combinations.

  14. Molecular structure refinement by direct fitting of atomic coordinates to experimental ESR spectra

    CERN Document Server

    Charnock, G T P; Kuprov, Ilya


    An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin dynamics simulation algorithms and of the fact that the accuracy of quantum mechanical calculations of ESR parameters has improved to the point of quantitative correctness. Partial solutions are offered to the local minimum problem in spectral fitting and to the problem of spin interaction parameters (hyperfine couplings, chemical shifts, etc.) being very sensitive to distortions in molecular geometry.

  15. FOREWORD: The 5th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas (United States)

    Tchang-Brillet, Wad Lydia; Wyart, Jean-François; Zeippen, Claude


    The 5th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas was held in Meudon, France, from August 28 to 31 1995. It was the fifth in a series started by the Atomic Spectroscopic Group at the University of Lund, Sweden, in 1983. Then followed the meetings in Toledo, USA, Amsterdam, The Nether- lands and Gaithersburg, USA, with a three year period. The original title of the series ended with "... for Astrophysics and Fusion Research" and became more general with the 4th colloquium in Gaithersburg. The purpose of the present meeting was, in line with tradition, to bring together "producers" and "users" of atomic data so as to ensure optimal coordination. Atomic physicists who study the structure of atoms and their radiative and collisional properties were invited to explain the development of their work, emphasizing the possibilities of producing precise transition wavelengths and relative line intensities. Astrophysicists and laboratory plasma physicists were invited to review their present research interests and the context in which atomic data are needed. The number of participants was about 70 for the first three meetings, then exploded to 170 at Gaithersburg. About 140 participants, coming from 13 countries, attended the colloquium in Meudon. This large gathering was partly due to a number of participants from Eastern Europe larger than in the past, and it certainly showed a steady interest for interdisciplinary exchanges between different communities of scientists. This volume includes all the invited papers given at the conference and, in the appendix, practical information on access to some databases. All invited speakers presented their talks aiming at good communication between scientists from different backgrounds. A separate bound volume containing extended abstracts of the poster papers has been published by the Publications de l'Observatoire de Paris, (Meudon 1996), under the responsibility of

  16. Optical Bragg, atomic Bragg and cavity QED detections of quantum phases and excitation spectra of ultracold atoms in bipartite and frustrated optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Jinwu, E-mail: [Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048 (China); Department of Physics and Astronomy, Mississippi State University, Mississippi State, MS 39762 (United States); Zhang, K.Y.; Li, Yan [Department of Physics, East China Normal university, Shanghai, 200062 (China); Chen, Yan [Department of Physics, State Key Laboratory of Surface Physics and Laboratory of Advanced Materials, Fudan University, Shanghai, 200433 (China); Zhang, W.P. [Department of Physics, East China Normal university, Shanghai, 200062 (China)


    Ultracold atoms loaded on optical lattices can provide unprecedented experimental systems for the quantum simulations and manipulations of many quantum phases and quantum phase transitions between these phases. However, so far, how to detect these quantum phases and phase transitions effectively remains an outstanding challenge. In this paper, we will develop a systematic and unified theory of using the optical Bragg scattering, atomic Bragg scattering or cavity QED to detect the ground state and the excitation spectrum of many quantum phases of interacting bosons loaded in bipartite and frustrated optical lattices. The physically measurable quantities of the three experiments are the light scattering cross sections, the atom scattered clouds and the cavity leaking photons respectively. We show that the two photon Raman transition processes in the three detection methods not only couple to the density order parameter, but also the valence bond order parameter due to the hopping of the bosons on the lattice. This valence bond order coupling is very sensitive to any superfluid order or any valence bond (VB) order in the quantum phases to be probed. These quantum phases include not only the well-known superfluid and Mott insulating phases, but also other important phases such as various kinds of charge density waves (CDW), valence bond solids (VBS), and CDW-VBS phases with both CDW and VBS orders unique to frustrated lattices, and also various kinds of supersolids. We analyze respectively the experimental conditions of the three detection methods to probe these various quantum phases and their corresponding excitation spectra. We also address the effects of a finite temperature and a harmonic trap. We contrast the three scattering methods with recent in situ measurements inside a harmonic trap and argue that the two kinds of measurements are complementary to each other. The combination of both kinds of detection methods could be used to match the combination of

  17. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra. (United States)

    Goings, Joshua J; Li, Xiaosong


    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

  18. Multipolarity effects in ionization of the inner level of an atom by an electron impact in extended fine structures of K and L spectra of electron energy losses

    Energy Technology Data Exchange (ETDEWEB)

    Grebennikov, V.I. [Institute of Metal Physics, UB RAS, 620066 Ekaterinburg (Russian Federation); Guy, D.E. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation)]. E-mail:; Ruts, Y.V. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation); Surnin, D.V. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation); Zheltysheva, O.R. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation)


    The problem of multipolarity of the atom core level ionization by electron impact in extended energy loss fine structure (EELFS) spectroscopy is studied. The intensities and amplitudes of electron transitions have been calculated in the OPW approximation. The experimental K EELFS spectra of Al, Si and L EELFS spectra of Fe, Co have been obtained. Corresponding calculations have been carried out in the monopole and dipole approximations. A comparison of theoretical and experimental spectra have been made. It is shown that a good agreement between the theoretical and experimental results points to the need for taking account of multipolarity of the electron transition processes in EELFS calculations.


    Energy Technology Data Exchange (ETDEWEB)

    Inami, H. [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Armus, L.; Stierwalt, S.; Díaz-Santos, T.; Surace, J.; Howell, J.; Marshall, J. [Spitzer Science Center, California Institute of Technology, CA 91125 (United States); Charmandaris, V. [Department of Physics and Institute of Theoretical and Computational Physics, University of Crete, GR-71003 Heraklion (Greece); Groves, B. [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Kewley, L. [Research School of Astronomy and Astrophysics, The Australian National University, Cotter Road, Weston Creek, ACT 2611 (Australia); Petric, A. [Department of Astronomy, California Institute of Technology, MS 320-47, Pasadena, CA 91125 (United States); Rich, J. [The Observatories, Carnegie Institute of Washington, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Haan, S. [CSIRO Astronomy and Space Science, Marsfield, NSW 2122 (Australia); Evans, A. S. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904 (United States); Mazzarella, J.; Lord, S. [Infrared Processing and Analysis Center, MS 100-22, California Institute of Technology, Pasadena, CA 91125 (United States); Appleton, P. [NASA Herschel Science Center, 770 South Wilson Avenue, Pasadena, CA 91125 (United States); Spoon, H. [Astronomy Department, Cornell University, Ithaca, NY 14853 (United States); Frayer, D. [National Radio Astronomy Observatory, P.O. Box 2, Green Bank, WV 24944 (United States); Matsuhara, H., E-mail: [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency (Japan); and others


    We present the data and our analysis of mid-infrared atomic fine-structure emission lines detected in Spitzer/Infrared Spectrograph high-resolution spectra of 202 local Luminous Infrared Galaxies (LIRGs) observed as part of the Great Observatories All-sky LIRG Survey (GOALS). We readily detect emission lines of [S IV], [Ne II], [Ne V], [Ne III], [S III]{sub 18.7{sub μm}}, [O IV], [Fe II], [S III]{sub 33.5{sub μm}}, and [Si II]. More than 75% of these galaxies are classified as starburst-dominated sources in the mid-infrared, based on the [Ne V]/[Ne II] line flux ratios and equivalent width of the 6.2 μm polycyclic aromatic hydrocarbon feature. We compare ratios of the emission-line fluxes to those predicted from stellar photo-ionization and shock-ionization models to constrain the physical and chemical properties of the gas in the starburst LIRG nuclei. Comparing the [S IV]/[Ne II] and [Ne III]/[Ne II] line ratios to the Starburst99-Mappings III models with an instantaneous burst history, the emission-line ratios suggest that the nuclear starbursts in our LIRGs have ages of 1-4.5 Myr, metallicities of 1-2 Z{sub ☉}, and ionization parameters of 2-8 × 10{sup 7} cm s{sup –1}. Based on the [S III]{sub 33.5{sub μm}}/[S III]{sub 18.7{sub μm}} ratios, the electron density in LIRG nuclei is typically one to a few hundred cm{sup –3}, with a median electron density of ∼300 cm{sup –3}, for those sources above the low density limit for these lines. We also find that strong shocks are likely present in 10 starburst-dominated sources of our sample. A significant fraction of the GOALS sources (80) have resolved neon emission-line profiles (FWHM ≥600 km s{sup –1}) and five show clear differences in the velocities of the [Ne III] or [Ne V] emission lines, relative to [Ne II], of more than 200 km s{sup –1}. Furthermore, six starburst and five active galactic nucleus dominated LIRGs show a clear trend of increasing line width with ionization potential

  20. FOREWORD: The 9th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas (ASOS 9) (United States)

    Wahlgren, Glenn M.; Wiese, Wolfgang L.; Beiersdorfer, Peter


    For the first time since its inaugural meeting in Lund in 1983, the triennial international conference on Atomic Spectroscopy and Oscillator Strengths for Astrophysical and Laboratory Plasmas (ASOS) returned to Lund, Sweden. Lund has been a home to atomic spectroscopy since the time of Janne Rydberg, and included the pioneering work in laboratory and solar spectroscopy of Bengt Edlén, who presented the initial ASOS talk in 1983. The ninth ASOS was hosted by the Lund Observatory and the Physics Department of Lund University during from 8 to 10 August 2007 and was attended by nearly 100 registrants. An encouraging sign for the field was the number of young researchers in attendance. This volume contains the submitted contributions from the poster presentations of the conference, and represents approximately forty percent of the presented posters. A complementary volume of Physica Scripta provides the written transactions of the ASOS9 invited presentations. With these two volumes the character of ASOS9 is more fully evident, and they serve as a review of the state of atomic spectroscopy for spectrum analysis and the determination of oscillator strengths and their applications. The goal of ASOS is to be a forum for atomic spectroscopy where both the providers and users of atomic data, which includes wavelengths, energy levels, lifetimes, oscillator strengths, and line shape parameters, can meet to discuss recent advances in experimental and theoretical techniques and their application to understanding the physical processes that are responsible for producing observed spectra. The applications mainly originate from the fields of astrophysics and plasma physics, the latter including fusion energy and lighting research. As a part of ASOS9 we were honored to celebrate the retirement of Professor Sveneric Johansson. At a special session on the spectroscopy of iron, which was conducted in his honor, he presented his insights into the Fe II term system and his most recent

  1. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; García Lastra, Juan Maria; Lopez, M. J.


    The optical spectra of sandwich clusters formed by transition metal atoms (titanium, vanadium, and chromium) intercalated between parallel benzene molecules have been studied by time-dependent density functional theory (TDDFT) and many-body perturbation theory. Sandwiches with different number...

  2. Study of X-Ray and $\\gamma$-Ray Spectra from Antiprotonic Atoms at the Slowly Extracted Antiproton Beam of LEAR

    CERN Multimedia


    This experiment will study the X-ray spectra of antiprotonic atoms and the $\\gamma$ spectra of residual nuclei after the antiproton absorption. We intend to begin with measurements on selected isotopically pure targets. Strong interaction effects, the antiproton absorption and the atomic cascade are analysed through the measurement of energies, lineshapes, relative and absolute intensities of all observable lines. The experiments are continued to determine st in resolved fine structure levels and in different isotopes of the same element. Coincidence techniques may be applied. All components of the experimental set-up are already existing from previous experiments and we could begin the measurements with any slowly extracted beam of low energy at LEAR.

  3. Measurement and analysis of atomic hydrogen and diatomic molecular AlO, C2, CN, and TiO spectra following laser-induced optical breakdown. (United States)

    Parigger, Christian G; Woods, Alexander C; Witte, Michael J; Swafford, Lauren D; Surmick, David M


    In this work, we present time-resolved measurements of atomic and diatomic spectra following laser-induced optical breakdown. A typical LIBS arrangement is used. Here we operate a Nd:YAG laser at a frequency of 10 Hz at the fundamental wavelength of 1,064 nm. The 14 nsec pulses with anenergy of 190 mJ/pulse are focused to a 50 µm spot size to generate a plasma from optical breakdown or laser ablation in air. The microplasma is imaged onto the entrance slit of a 0.6 m spectrometer, and spectra are recorded using an 1,800 grooves/mm grating an intensified linear diode array and optical multichannel analyzer (OMA) or an ICCD. Of interest are Stark-broadened atomic lines of the hydrogen Balmer series to infer electron density. We also elaborate on temperature measurements from diatomic emission spectra of aluminum monoxide (AlO), carbon (C2), cyanogen (CN), and titanium monoxide (TiO). The experimental procedures include wavelength and sensitivity calibrations. Analysis of the recorded molecular spectra is accomplished by the fitting of data with tabulated line strengths. Furthermore, Monte-Carlo type simulations are performed to estimate the error margins. Time-resolved measurements are essential for the transient plasma commonly encountered in LIBS.

  4. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I) (United States)

    Singh, J. S.


    Raman (200-4000 cm-1) and FT-IR (400-4000 cm-1) spectra of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I) have been recorded and analyzed in the range 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Ab initio and DFT calculations [using Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP)] were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-halogenated uracils by employing Gaussian-03 program. Gauss View software was used to make the vibrational analysis. Raman and IR spectra have been computed theoretically for the uracil and 5-halogenated molecules. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. Quantum chemical calculations helped in the reassignments of some fundamental vibrational modes. Most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with available experimental assignments. The ring breathing and kekule stretching modes are found to lower magnitudes compared to those for uracil which could be due to mass effect of halogen atom in place of the hydrogen atom. The C-X (X = F, Cl, Br, I) stretching frequency is distinctly separated from the CH/NH ring stretching frequencies on the pyrimidine ring. All other bands have also been assigned different fundamentals/overtones/combinations.

  5. Retrieval of parameters of few-cycle laser pulses from high-energy photoelectron spectra of atoms by a genetic algorithm (United States)

    Zhou, Zhaoyan; Wang, Xu; Chen, Zhangjin; Lin, C. D.


    According to the quantitative rescattering theory, the laser features are imbedded in the returning electron wave packets. By analyzing high-energy photoelectron wave packets on the two sides of the linearly polarization axis we can retrieve the experimental laser pulse irrespective of the atomic targets. Laser parameters including its carrier-envelope phase, pulse duration, and peak intensity can be retrieved within a small range simultaneously from the output of the genetic algorithm. This is a simple direct retrieval method for characterizing a phase-stabilized few-cycle laser pulse based only on one set of photoelectron spectra.

  6. The change of the LMM auger spectra in 3d-metals due to oxidation and its correlation with the change of the atomic magnetic moment. (United States)

    Zheltysheva, Olga R; Surnin, Dmitry V; Guy, Dmitry E; Gil'mutdinov, Faat Z; Ruts, Yuri V; Grebennikov, Vladimir I


    The surfaces of crystalline samples of 3d-metals (Mn, Fe, Co, Ni, and Cu) and their stoichiometric oxides have been studied by Auger spectroscopy. A correlation between the change in the LVV (L-inner level-valence-valence electron transition) Auger intensities and the change of the squares of the corresponding atomic-magnetic moments has been observed. This is because of the complicated nature of the Auger process. That is, the Auger electron emission is a result of the inner atomic level excitation by electron impact and Auger annihilation of the inner-level hole. Therefore, the Auger process has been considered a second-order process, and spin polarization of the valence states has been taken into account for the LMM (L-inner level-M-inner level-M-inner level electron transition) Auger spectra of 3d-metals.

  7. Ion-atom interaction potential effects on the shape of energy spectra of ions backscattered by a thick target

    Energy Technology Data Exchange (ETDEWEB)

    Urmanov, A.R.; Bazhukov, S.I.; Puzanov, A.A.


    Based on the general Gaudsmit-Saunderson-Lewis model for multiple scattering in a semi-infinite medium, an expression accounting for the effects of multiple scattering on the shape of the backscattering energy spectrum has been obtained. This expression is represented by a series of ion angular distribution moments. The limits of the applicability of the small-angle approximation to the description of multiple scattering are defined. It is shown that the sensitivity of the angular distribution moments of multiple scattered ions to the type of ion-atom potential increases with an increase in the moment order. The possibility of investigation of the ion-atom interaction potential experimentally over a wide range of impact parameters by the backscattering method is discussed.

  8. Auger Spectra and Different Ionic Charges Following 3s, 3p and 3d Sub-Shells Photoionization of Kr Atoms

    Directory of Open Access Journals (Sweden)

    Yehia A. Lotfy


    Full Text Available The decay of inner-shell vacancy in an atom through radiative and non-radiative transitions leads to final charged ions. The de-excitation decay of 3s, 3p and 3d vacancies in Kr atoms are calculated using Monte-Carlo simulation method. The vacancy cascade pathway resulted from the de-excitation decay of deep core hole in 3s subshell in Kr atoms is discussed. The generation of spectator vacancies during the vacancy cascade development gives rise to Auger satellite spectra. The last transitions of the de-excitation decay of 3s, 3p and 3d holes lead to specific charged ions. Dirac-Fock-Slater wave functions are adapted to calculate radiative and non-radiative transition probabilities. The intensity of Kr^{4+} ions are high for 3s hole state, whereas Kr^{3+} and Kr^{2+} ions have highest intensities for 3p and 3d hole states, respectively. The present results of ion charge state distributions agree well with the experimental data.

  9. Inter-Series Interactions on the Atomic Photoionization Spectra Studied by the Phase-Shifted Multichannel-Quantum Defect Theory

    Directory of Open Access Journals (Sweden)

    Chun-Woo Lee


    Full Text Available Development in mathematical formulations of parameterizing the resonance structures using the phase-shifted multichannel quantum defect theory (MQDT and their use in analyzing the effect of inter-series interactions on the autoionizing Rydberg spectra is reviewed. Reformulation of the short-range scattering matrix into the form analogous to S = SBSR in scattering theory are the crucial step in this development. Formulation adopts different directions and goals depending on whether autoionizing series converge to the same limit (degenerate or to different limits (nondegenerate because of the different nature of the perturbation. For the nondegenerate case, finding the simplest form of profile index functions of the autoionizing spectra with the minimal number of parameters is the main goal and some results are reviewed. For the degenerate case where perturbation acts uniformly throughout the entire series, isolation of the overlapped autoionizing series into the unperturbed autoionizing series is the key objective in research and some results in that direction are reviewed.

  10. Molecular geometry, vibrational spectra, atomic charges, frontier molecular orbital and Fukui function analysis of antiviral drug zidovudine (United States)

    Ramkumaar, G. R.; Srinivasan, S.; Bhoopathy, T. J.; Gunasekaran, S.


    The solid phase FT-IR and FT-Raman spectra of zidovudine (AZT) were recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The optimized geometry, frequency and intensity of the vibrational bands of zidovudine were obtained by the Restricted Hartree-Fock (RHF) density functional theory (DFT) with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The harmonic vibrational frequencies for zidovudine were calculated and the scaled values have been compared with experimental values of FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The harmonic vibrational wave numbers and intensities of vibrational bands of zidovudine with its cation and anion were calculated and compared with the neutral AZT. The DFT calculated HOMO and LUMO energies shows that charge transfer occurs within the molecule. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in AZT.

  11. Hydrodynamic, Atomic Kinetic, and Monte Carlo Radiation Transfer Models of the X-ray Spectra of Compact Binaries

    Energy Technology Data Exchange (ETDEWEB)

    Mauche, C W; Liedahl, D A; Akiyama, S; Plewa, T


    We describe the results of an effort, funded by the Lawrence Livermore National Laboratory Directed Research and Development Program, to model, using FLASH time-dependent adaptive-mesh hydrodynamic simulations, XSTAR photoionization calculations, HULLAC atomic data, and Monte Carlo radiation transport, the radiatively-driven photoionized wind and accretion flow of high-mass X-ray binaries (HMXBs). In this final report, we describe the purpose, approach, and technical accomplishments of this effort, including maps of the density, temperature, velocity, ionization parameter, and emissivity distributions of the X-ray emission lines of the well-studied HMXB Vela X-1.

  12. Explicit Hilbert-space representations of atomic and molecular photoabsorption spectra - Computational studies of Stieltjes-Tchebycheff functions (United States)

    Hermann, M. R.; Langhoff, P. W.


    Computational methods are reported for construction of discrete and continuum Schroedinger states in atoms and molecules employing explicit Hilbert space procedures familiar from bound state studies. As theoretical development, the Schroedinger problem of interest is described, the Cauchy-Lanczos bases and orthonormal polynomials used in constructing L-squared Stieltjes-Tchebycheff (ST) approximations to the discrete and continuum states are defined, and certain properties of these functions are indicated. Advantages and limitations of the ST approach to spectral studies relative to more conventional calculations are discussed, and aspects of the approach in single-channel approximations to larger molecules are described. Procedures are indicated for construction of photoejection anisotropies and for performing coupled-channel calculations employing the ST formalism. Finally, explicit descriptive intercomparisons are made of the nature and diagnostic value of ST functions with more conventional scattering functions.

  13. Analytical atomic spectroscopy of plutonium—I. High resolution spectra of plutonium emitted in an inductively coupled plasma (United States)

    Edelson, M. C.; DeKalb, E. L.; Winge, R. K.; Fassel, V. A.

    In the atomic emission spectrum of Pu-242 emitted in an inductively coupled plasma (ICP) 23 lines with detection limits of less than 100 ng/ml were identified in the 200-700 nm spectral range. The line at 453.614 nm had the best detection limit of 15 ng/ml. The isotopic splittings of several Pu emission lines were resolved with a commercial 1.5m spectrometer. The line at 398.988 nm (Pu-240 wavelength) had the greatest isotope shift, but was interfered with by neighboring Pu lines. Other lines were shown to be useful for Pu isotopic analysis. The hyperfine splitting of some intense Pu-239 lines was measured; the Pu 453.614 nm line exhibited the widest splitting (5.9 pm).

  14. Atomic-scale microstructures, Raman spectra and dielectric properties of cubic pyrochlore-typed Bi1.5MgNb1.5O7 dielectric ceramics

    KAUST Repository

    Li, Yangyang


    Single-phase cubic pyrochlore-typed Bi1.5MgNb 1.5O7 (BMN) dielectric ceramics were synthesized at temperatures of 1050-1200 °C by solid-state reaction method. Their atomic-scale microstructures and dielectric properties were investigated. X-ray diffraction patterns revealed that the BMN ceramics had an average cubic pyrochlore structure, whereas the Raman spectra indicated that they had an essentially cubic symmetry with small local deviations at the A and O\\' sites of the cubic pyrochlore structure. This was confirmed by selected electron area diffraction (SAED) patterns, where the reflections of {442} (not allowed in the cubic pyrochlore with Fd3̄m symmetry) were clearly observed. SEM and TEM images revealed that the average grain size was increased with the sintering temperature, and an un-homogeneous grain growth was observed at high temperatures. HRTEM images and SAED patterns revealed the single-crystalline nature of the BMN ceramic grains. Energy dispersive spectroscopy (EDS) elemental mapping studies indicated that the compositional distributions of Bi, Mg, Nb and O elements in the ceramic grains were homogenous, and no elemental precipitation was observed at the grain boundary. Quantitative EDS data on ceramic grains revealed the expected cationic stoichiometry based on the initial composition of Bi1.5MgNb1.5O7. Dielectric constants of all the BMN samples exhibited almost frequency independent characteristic in the frequency range of 102-106 Hz, and the highest value was 195 for the BMN ceramics sintered at sintered at 1150 °C with the highest bulk density. The dielectric losses were stable and less than 0.002 in the frequency range of 102-105 Hz. The high dielectric constants of the present BMN samples can be ascribed to the local atomic deviations at the A and O\\' sites from the ideal atomic positions of the pyrochlore structure, which affect the different polarization mechanisms in the BMN ceramics, and which in turn enhance the dielectric

  15. Spectra of atoms and molecules

    CERN Document Server

    Bernath, Peter F


    1. Introduction. 1.1. Waves, Particles, and Units. 1.2. The Electromagnetic Spectrum. 1.3. Interaction of Radiation with Matter. 1.3a. Blackbody Radiation. 1.3b. Einstein A and B Coefficients. 1.3c. Absorption and Emission of Radiation. 1.3d. Beer''s Law. 1.3e. Lineshape Functions. 1.3f. Natural Lifetime Broadening. 1.3g. Pressure Broadening. 1.3h. Doppler Broadening. 1.3i. Transit-Time Broadening. 1.3j. Power Broadening. 2. Molecular Symmetry. 2.1. Symmetry Operations. 2.1a. Operator Algebra. 2.1b. Symmetry Operator Algebra. 2.2. Groups. 2.2a. Point Groups. 2.2b. Classes. 2.2c. Subgroups. 2.3. Notation for Point Groups. 3. Matrix Representation of Groups. 3.1. Vectors and Matrices. 3.1a. Matrix Eigenvalue Problem. 3.1b. Similarity Transformations. 3.2. Symmetry Operations and Position Vectors. 3.2a. Reflection. 3.2b. Rotation. 3.2c. Rotation-Reflection. 3.2d. Inversion. 3.2e. Identity. 3.3. Symmetry Operators and Basic Vectors. 3.4. Symmetry Operators and Basic Functions. 3.4a. Function Spaces. 3.4b. Gram-Sc...

  16. The Infrared Spectra of Polycyclic Aromatic Hydrocarbons with Excess Peripheral H Atoms (H(sub n)-PAHs) and their Relation to the 3.4 and 6.9 Micrometer PAH Emission Features (United States)

    Sandford, Scott A.; Bernstein, Max P.; Materese, Christopher K.


    A population of polycyclic aromatic hydrocarbons (PAHs) and related materials are thought to be responsible for the family of infrared emission features that are seen towards a wide variety of astrophysical environments. A potentially important subclass of these materials are polycyclic aromatic hydrocarbons whose edges contain excess H atoms (H(sub n)-PAHs). While it has been suggested that this type of compound may be present in the interstellar population, it has been difficult to properly assess this possibility because of a lack of suitable infrared laboratory spectra to assist with analysis of the astronomical data. We present the 4000-500 cm(exp -1) (2.5-20 micrometers) infrared spectra of 23 H(sub n)-PAHs and related molecules isolated in argon matrices, under conditions suitable for use in the interpretation of astronomical data. The spectra of molecules with mixed aromatic and aliphatic domains show unique characteristics that distinguish them from their fully aromatic PAH equivalents. We discuss the changes to the spectra of these types of molecules as they transition from fully aromatic to fully aliphatic forms. The implications for the interpretation of astronomical spectra are discussed with specific emphasis on the 3.4 and 6.9 micrometer features. Laboratory data is compared with emission spectra from IRAS 21282+5050, an object with normal PAH emission features, in addition to IRAS 22272+5435 and IRAS 0496+3429, two protoplanetary nebulae with abnormally large 3.4 micrometer features. We show that 'normal' PAH emission objects contain relatively few H(sub n)-PAHs in their emitter populations, but less evolved protoplanetary nebulae may contain significant abundances of these molecules.

  17. Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs) (United States)

    Bauschlicher, Charles W., Jr.; Bakes, E. L. O.


    We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

  18. An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms (United States)

    Thomas, Phillip S.; Carrington, Tucker


    We propose a method for solving the vibrational Schrödinger equation with which one can compute spectra for molecules with more than ten atoms. It uses sum-of-product (SOP) basis functions stored in a canonical polyadic tensor format and generated by evaluating matrix-vector products. By doing a sequence of partial optimizations, in each of which the factors in a SOP basis function for a single coordinate are optimized, the rank of the basis functions is reduced as matrix-vector products are computed. This is better than using an alternating least squares method to reduce the rank, as is done in the reduced-rank block power method. Partial optimization is better because it speeds up the calculation by about an order of magnitude and allows one to significantly reduce the memory cost. We demonstrate the effectiveness of the new method by computing vibrational spectra of two molecules, ethylene oxide (C2H4O ) and cyclopentadiene (C5H6 ) , with 7 and 11 atoms, respectively.

  19. Atom Skimmers and Atom Lasers Utilizing Them (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.


    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  20. Structure and properties of CdO-B2O3 and CdO-MnO-B2O3 glasses; Criteria of getting the fraction of four coordinated boron atoms from infrared spectra (United States)

    Doweidar, H.; El-Damrawi, G.; El-Stohy, Sh.


    IR spectra of CdO-B2O3 and xCdO·(50 - x)MnO·50B2O3 glasses (0 ≤ x ≤ 50 mol%) have been analyzed. The fraction N4 of four coordinated boron atoms obtained from the integrated area under the IR spectra of CdO-B2O3 glasses is markedly higher than the reported NMR values. In both cases, N4 does not change with CdO content. The difference between N4 values of both techniques has been correlated with the relative absorption coefficient of BO4 unit with respect to BO3 unit, as suggested by Chryssikos et al. N4 data of xCdO·(50 - x)MnO·50B2O3 glasses could be used to calculate the fraction of modifier and former CdO and MnO in the borate matrix, as a function of composition. There is a linear increase in both the density and molar volume with increasing CdO content. The change has been correlated with the contribution of CdO and MnO. Electric conduction is assumed to take place via hopping of small polarons. There is a decrease in conductivity with increasing CdO concentration, which suggests that the electrons related to Cd sites are more localized than those at Mn sites.

  1. Effect of different precursors on generation of reference spectra for structural molecular background correction by solid sampling high-resolution continuum source graphite furnace atomic absorption spectrometry: Determination of antimony in cosmetics. (United States)

    Barros, Ariane Isis; Victor de Babos, Diego; Ferreira, Edilene Cristina; Gomes Neto, José Anchieta


    Different precursors were evaluated for the generation of reference spectra and correction of the background caused by SiO molecules in the determination of Sb in facial cosmetics by high-resolution continuum source graphite furnace atomic absorption spectrometry employing direct solid sample analysis. Zeolite and mica were the most effective precursors for background correction during Sb determination using the 217.581nm and 231.147nm lines. Full 2 3 factorial design and central composite design were used to optimize the atomizer temperature program. The optimum pyrolysis and atomization temperatures were 1500 and 2100°C, respectively. A Pd(NO 3 ) 2 /Mg(NO 3 ) 2 mixture was employed as the chemical modifier, and calibration was performed at 217.581nm with aqueous standards containing Sb in the range 0.5-2.25ng, resulting in a correlation coefficient of 0.9995 and a slope of 0.1548s ng -1 . The sample mass was in the range 0.15-0.25mg. The accuracy of the method was determined by analysis of Montana Soil (II) certified reference material, together with addition/recovery tests. The Sb concentration found was in agreement with the certified value, at a 95% confidence level (paired t-test). Recoveries of Sb added to the samples were in the range 82-108%. The limit of quantification was 0.9mgkg -1 and the relative standard deviation (n=3) ranged from 0.5% to 7.1%. From thirteen analyzed samples, Sb was not detected in ten samples (blush, eye shadow and compact powder); three samples (two blush and one eye shadow) presented Sb concentration in the 9.1-14.5mgkg -1 range. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Atmospheric chemistry of (CF3)2C=CH2: OH radicals, Cl atoms and O3 rate coefficients, oxidation end-products and IR spectra. (United States)

    Papadimitriou, Vassileios C; Spitieri, Christina S; Papagiannakopoulos, Panos; Cazaunau, Mathieu; Lendar, Maria; Daële, Véronique; Mellouki, Abdelwahid


    The rate coefficients for the gas phase reactions of OH radicals, k1, Cl atoms, k2, and O3, k3, with 3,3,3-trifluoro-2(trifluoromethyl)-1-propene ((CF3)2C=CH2, hexafluoroisobutylene, HFIB) were determined at room temperature and atmospheric pressure employing the relative rate method and using two atmospheric simulation chambers and a static photochemical reactor. OH and Cl rate coefficients obtained by both techniques were indistinguishable, within experimental precision, and the average values were k1 = (7.82 ± 0.55) × 10(-13) cm(3) molecule(-1) s(-1) and k2 = (3.45 ± 0.24) × 10(-11) cm(3) molecule(-1) s(-1), respectively. The quoted uncertainties are at 95% level of confidence and include the estimated systematic uncertainties. An upper limit for the O3 rate coefficient was determined to be k3 < 9.0 × 10(-22) cm(3) molecule(-1) s(-1). In global warming potential (GWP) calculations, radiative efficiency (RE) was determined from the measured IR absorption cross-sections and treating HFIB both as long (LLC) and short (SLC) lived compounds, including estimated lifetime dependent factors in the SLC case. The HFIB lifetime was estimated from kinetic measurements considering merely the OH reaction, τOH = 14.8 days and including both OH and Cl chemistry, τeff = 10.3 days. Therefore, GWP(HFIB,OH) and GWP(HFIB,eff) were estimated to be 4.1 (LLC) and 0.6 (SLC), as well as 2.8 (LLC) and 0.3 (SLC) for a hundred year time horizon. Moreover, the estimated photochemical ozone creation potential (ε(POCP)) of HFIB was calculated to be 4.60. Finally, HCHO and (CF3)2C(O) were identified as final oxidation products in both OH- and Cl-initiated oxidation, while HC(O)Cl was additionally observed in the Cl-initiated oxidation.

  3. Mass attenuation coefficient (μ/ρ), effective atomic number (Z{sub eff}) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S. [Centro de Desenvolvimento da Tecnologia Nuclear / CNEN, Pte. Antonio Carlos 6627, Belo Horizonte 31270-901, Minas Gerais (Brazil); Goncalves Z, E., E-mail: [Pontifice Catholic University of Minas Gerais, Av. Dom Jose Gaspar 500, Belo Horizonte 30535-901, Minas Gerais (Brazil)


    In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Z{sub eff} of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Z{sub eff} using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

  4. Inequality spectra (United States)

    Eliazar, Iddo


    Inequality indices are widely applied in economics and in the social sciences as quantitative measures of the socioeconomic inequality of human societies. The application of inequality indices extends to size-distributions at large, where these indices can be used as general gauges of statistical heterogeneity. Moreover, as inequality indices are plentiful, arrays of such indices facilitate high-detail quantification of statistical heterogeneity. In this paper we elevate from arrays of inequality indices to inequality spectra: continuums of inequality indices that are parameterized by a single control parameter. We present a general methodology of constructing Lorenz-based inequality spectra, apply the general methodology to establish four sets of inequality spectra, investigate the properties of these sets, and show how these sets generalize known inequality gauges such as: the Gini index, the extended Gini index, the Rényi index, and hill curves.

  5. Nuclear effects in atomic transitions

    CERN Document Server

    Pálffy, Adriana


    Atomic electrons are sensitive to the properties of the nucleus they are bound to, such as nuclear mass, charge distribution, spin, magnetization distribution, or even excited level scheme. These nuclear parameters are reflected in the atomic transition energies. A very precise determination of atomic spectra may thus reveal information about the nucleus, otherwise hardly accessible via nuclear physics experiments. This work reviews theoretical and experimental aspects of the nuclear effects that can be identified in atomic structure data. An introduction to the theory of isotope shifts and hyperfine splitting of atomic spectra is given, together with an overview of the typical experimental techniques used in high-precision atomic spectroscopy. More exotic effects at the borderline between atomic and nuclear physics, such as parity violation in atomic transitions due to the weak interaction, or nuclear polarization and nuclear excitation by electron capture, are also addressed.

  6. FAC: Flexible Atomic Code (United States)

    Gu, Ming Feng


    FAC calculates various atomic radiative and collisional processes, including radiative transition rates, collisional excitation and ionization by electron impact, energy levels, photoionization, and autoionization, and their inverse processes radiative recombination and dielectronic capture. The package also includes a collisional radiative model to construct synthetic spectra for plasmas under different physical conditions.

  7. A deterministic method to calculate the radiation spectra of nuclides. (United States)

    Stepanek, J


    Recently, the computer program IMRDEC has been developed to determine the radiation spectra due to a single atomic-subshell ionisation of a stable atom by a particle, or due to the atomic deexcitation or decay of nuclides. The data needed to describe the deexcitation or decay scheme are obtained from the Evaluated Nuclear Structure Data File (ENSDF) maintained at Brookhaven National Laboratory; this results in the simplest possible input specification. The atomic data as well as the atomic relaxation probabilities are taken from the Evaluated Atomic Data Library (EADL) from Lawrence Livermore National Laboratory. The program IMRDEC calculates the radiation spectra (inclusively the atomic relaxation cascades) deterministically rather than by the Monte Carlo method; this results in much shorter calculational time per nuclide. Since many assumptions still have to be made in determining the atomic relaxation probabilities and in calculating the atomic relaxation, the deterministic method seems to be a small source of inaccuracy.

  8. Computer simulation of backscattering spectra from paint (United States)

    Mayer, M.; Silva, T. F.


    To study the role of lateral non-homogeneity on backscattering analysis of paintings, a simplified model of paint consisting of randomly distributed spherical pigment particles embedded in oil/binder has been developed. Backscattering spectra for lead white pigment particles in linseed oil have been calculated for 3 MeV H+ at a scattering angle of 165° for pigment volume concentrations ranging from 30 vol.% to 70 vol.% using the program STRUCTNRA. For identical pigment volume concentrations the heights and shapes of the backscattering spectra depend on the diameter of the pigment particles: This is a structural ambiguity for identical mean atomic concentrations but different lateral arrangement of materials. Only for very small pigment particles the resulting spectra are close to spectra calculated supposing atomic mixing and assuming identical concentrations of all elements. Generally, a good fit can be achieved when evaluating spectra from structured materials assuming atomic mixing of all elements and laterally homogeneous depth distributions. However, the derived depth profiles are inaccurate by a factor of up to 3. The depth range affected by this structural ambiguity ranges from the surface to a depth of roughly 0.5-1 pigment particle diameters. Accurate quantitative evaluation of backscattering spectra from paintings therefore requires taking the correct microstructure of the paint layer into account.

  9. Hydrogen-bridge Si(μ-H)3CeH and inserted H3SiCeH molecules: Matrix infrared spectra and DFT calculations for reaction products of silane with Ce atoms (United States)

    Xu, Bing; Shi, Peipei; Huang, Tengfei; Wang, Xuefeng


    Reactions of laser-ablated cerium atoms with silane were investigated by matrix isolation infrared spectroscopy and theoretical calculations. The reaction products, Si(μ-H)3CeH, H3SiCeH, H2Si(μ-H)CeH and HSi(μ-H)2CeH were identified on the basis of the SiD4 isotopic substitutions and DFT frequency calculations. In the solid argon or krypton matrix, the inserted H3SiCeH molecule was observed as initial product on deposition, which rearranged to hydrogen bridge species Si(μ-H)3CeH on follow-up annealing through H2Si(μ-H)CeH and HSi(μ-H)2CeH species. The Sisbnd Hsbnd Ce hydrogen bridge was investigated by NBO and ELF analysis. Calculation suggested that in Si(μ-H)3CeH molecule Ce atom donated one electron to Si atom, resulting in electron-rich SiH3 subunit, which was confirmed by ESP and AIM analysis. The increased basicity of Sisbnd H bond facilitates the formation of hydrogen bridge bond between Si and Ce. For comparison only insertion H3CCeH structure was obtained from the reaction of Ce atoms with CH4.



    Héctor Torres-Silva


    In this paper we study the energy conversion laws of the macroscopic harmonic LC oscillator, the electromagnetic wave (photon) and the hydrogen atom. As our analysis indicates, the energies of these apparently different systems obey exactly the same energy conversion law. Based on our results and the wave-particle duality of electrons, we find that the hydrogen atom is, in fact, a natural chiral microscopic LC oscillator. In the framework of classical electromagnetic field theory we analytica...

  11. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)


    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  12. Atomic Physics

    CERN Document Server

    Foot, Christopher J


    This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

  13. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.


    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  14. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ


    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k(OH +...... of 0.051, 0.058, and 0.055 (100 year time horizon, relative to CFC-11) for CH3OCF2CF2OCH3, CH3O(CF2CF2O)(2)CH3, and CH3O(CF2CF2O)(3)CH3, respectively. Results are discussed with respect to the atmospheric chemistry of hydrofluoropolyethers (HFPEs)....

  15. Atomic spectroscopy and radiative processes

    CERN Document Server

    Landi Degl'Innocenti, Egidio


    This book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e.g., cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.

  16. Spectra of stable sonoluminescence (United States)

    Lewis, Stephen D.


    The continuous emission of picosecond pulses of light has been observed to originate from a bubble trapped at the pressure antinode of a resonant sound field in water and in water/glycerin mixtures. The spectra of this light in several solutions has been measured with a scanning monochrometer/photomultiplier detector system. The spectra are broadband and show strong emission in the UV region. A comparison of this measurement to two other independently produced spectra is made. The spectra are also modeled by a blackbody radiation distribution to determine an effective blackbody temperature and a size is deduced as if Sonoluminescence were characterized by blackbody radiation.

  17. Atomic physics

    CERN Document Server

    Born, Max


    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  18. Early Atomism

    Indian Academy of Sciences (India) Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  19. Atomic Data for UV Astronomy (United States)

    Nave, Gillian


    Spectral lines of iron-group elements are observed in a wide variety of astrophysical objects including A- and B- type stars, the interstellar medium, quasi-stellar objects, and absorption spectra from quasi-stellar objects. Although lines of Fe II, Cr II and Ni II often dominate these spectra, even relatively low abundance elements such as Sc II can be important as their abundance can be significantly higher in some objects. In order to understand these spectra it is necessary to obtain and analyze high-resolution, high signal-to-noise ratio laboratory spectra to obtain accurate wavelengths and energy levels for all of the singly-ionized elements from scandium through nickel. For many years, the atomic spectroscopy groups at the National Institute of Standards and Technology (NIST), USA and Imperial College London, UK, have been recording high-resolution spectra of iron-group elements using Fourier transform (FT) and grating spectroscopy in order to complete their analyses. This has resulted comprehensive analyses of Fe II and Cr II from below 100 nm to 5000 nm, covering almost all of the region in which allowed lines of these spectra are typically observed in astronomical objects. Analysis of spectra of V II, Ti II and Co II recorded in less comprehensive regions using FT spectroscopy have also been published. I shall present our current work to extend the observations and analysis of Co II and Ti II to shorter wavelengths, and our comprehensive analyses of Mn II, Ni II, and Sc II.


    National Aeronautics and Space Administration — This data set contains 94 optical asteroid spectra obtained by Scott Sawyer as part of his Ph.D. dissertation at the University of Texas at Austin. Observational...

  1. Determination of Atomic Data Pertinent to the Fusion Energy Program

    Energy Technology Data Exchange (ETDEWEB)

    Reader, J.


    We summarize progress that has been made on the determination of atomic data pertinent to the fusion energy program. Work is reported on the identification of spectral lines of impurity ions, spectroscopic data assessment and compilations, expansion and upgrade of the NIST atomic databases, collision and spectroscopy experiments with highly charged ions on EBIT, and atomic structure calculations and modeling of plasma spectra.

  2. Atomic theories

    CERN Document Server

    Loring, FH


    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec


    Directory of Open Access Journals (Sweden)

    Héctor Torres-Silva


    Full Text Available In this paper we study the energy conversion laws of the macroscopic harmonic LC oscillator, the electromagnetic wave (photon and the hydrogen atom. As our analysis indicates, the energies of these apparently different systems obey exactly the same energy conversion law. Based on our results and the wave-particle duality of electrons, we find that the hydrogen atom is, in fact, a natural chiral microscopic LC oscillator. In the framework of classical electromagnetic field theory we analytically obtain, for the hydrogen atom, the quantized electron orbit radius , and quantized energy , (n = 1, 2, 3, · · ·, where is the Bohr radius and is the Rydberg constant. Without the adaptation of any other fundamental principles of quantum mechanics, we present a reasonable explanation of the polarization of photon, selection rules and Pauli exclusion principle. Our results also reveal an essential connection between electron spin and the intrinsic helical movement of electrons and indicate that the spin itself is the effect of quantum confinement.En este trabajo se presenta un estudio de las leyes macroscópicas de conversión de energía del oscilador armónico LC, la onda electromagnética (fotones y el átomo de hidrógeno. Como nuestro análisis indica, las energías de estos aparentemente diferentes sistemas obedecen exactamente la misma ley de conversión de la energía. Sobre la base de nuestros resultados y de la dualidad onda-partícula del electrón, nos encontramos con que el átomo de Hidrógeno, de hecho, es un oscilador LC microscópico naturalmente quiral. En el marco de la teoría clásica de campos electromagnéticos se obtiene analíticamente, para el átomo de hidrógeno, el radio cuantizado de la órbita electrónica , y la energía cuantizada , (n=1, 2, 3.., donde es el radio de Bohr, y es la constante de Rydberg. Sin la adaptación de otros principios fundamentales de la mecánica cuántica, se presenta una explicación razonable de

  4. Statistics of electric-quadrupole lines in atomic spectra


    Pain, Jean-Christophe; Gilleron, Franck; Bauche, Jacques; Bauche-Arnoult, Claire


    In hot plasmas, a temperature of a few tens of eV is sufficient for producing highly stripped ions where multipole transitions become important. At low density, the transitions from tightly bound inner shells lead to electric-quadrupole (E2) lines which are comparable in strength with electric-dipole ones. In this work, we propose analytical formulas for the estimation of the number of E2 lines in a transition array. Such expressions rely on statistical descriptions of electron states and J-l...

  5. Atomic Power

    African Journals Online (AJOL)

    Atomic Power. By Denis Taylor: Dr. Taylor was formerly Chief UNESCO Advisor at the University. College, Nairobi, Kenya and is now Professor of Electrical Engineering in the Uni- versity of ... method of producing radioactive isotopes, which are materials .... the sealing and the pressure balancing, all can be carried out ...

  6. Atomic arias (United States)

    Crease, Robert P.


    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  7. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.


    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  8. Spectra, Winter 2014 (United States)


    additional copies or more information, please email LEADINGEDGE 1 Contents 30 Navy Launches UAV from Submerged Submarine 31...the splash, Test Sub submerged and started moving underwater. Flying WANDA With the success of Test Sub, the Flimmer team applied the lessons to...coated for corrosion- proofing against the acidic environ- ment in the fuel cell and then welded together. Looking at the complexity of developing

  9. Pattern recognition in spectra (United States)

    Gebran, M.; Paletou, F.


    We present a new automated procedure that simultaneously derives the effective temperature Teff, surface gravity log g, metallicity [Fe/H], and equatorial projected rotational velocity ve sin i for stars. The procedure is inspired by the well-known PCA-based inversion of spectropolarimetric full-Stokes solar data, which was used both for Zeeman and Hanle effects. The efficiency and accuracy of this procedure have been proven for FGK, A, and late type dwarf stars of K and M spectral types. Learning databases are generated from the Elodie stellar spectra library using observed spectra for which fundamental parameters were already evaluated or with synthetic data. The synthetic spectra are calculated using ATLAS9 model atmospheres. This technique helped us to detect many peculiar stars such as Am, Ap, HgMn, SiEuCr and binaries. This fast and efficient technique could be used every time a pattern recognition is needed. One important application is the understanding of the physical properties of planetary surfaces by comparing aboard instrument data to synthetic ones.

  10. Estimating Spectra from Photometry (United States)

    Bryce Kalmbach, J.; Connolly, Andrew J.


    Measuring the physical properties of galaxies such as redshift frequently requires the use of spectral energy distributions (SEDs). SED template sets are, however, often small in number and cover limited portions of photometric color space. Here we present a new method to estimate SEDs as a function of color from a small training set of template SEDs. We first cover the mathematical background behind the technique before demonstrating our ability to reconstruct spectra based upon colors and then compare our results to other common interpolation and extrapolation methods. When the photometric filters and spectra overlap, we show that the error in the estimated spectra is reduced by more than 65% compared to the more commonly used techniques. We also show an expansion of the method to wavelengths beyond the range of the photometric filters. Finally, we demonstrate the usefulness of our technique by generating 50 additional SED templates from an original set of 10 and by applying the new set to photometric redshift estimation. We are able to reduce the photometric redshifts standard deviation by at least 22.0% and the outlier rejected bias by over 86.2% compared to original set for z ≤ 3.

  11. 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 ...

  12. 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 ...

  13. Cold Light from Hot Atoms and Molecules (United States)

    Lister, Graeme; Curry, John J.


    The introduction of rare earth atoms and molecules into lighting discharges led to great advances in efficacy of these lamps. Atoms such as Dy, Ho and Ce provide excellent radiation sources for lighting applications, with rich visible spectra, such that a suitable combination of these elements can provide high quality white light. Rare earth molecules have also proved important in enhancing the radiation spectrum from phosphors in fluorescent lamps. This paper reviews some of the current aspects of lighting research, particularly rare earth chemistry and radiation, and the associated fundamental atomic and molecular data.

  14. Plasmas applied atomic collision physics, v.2

    CERN Document Server

    Barnett, C F


    Applied Atomic Collision Physics, Volume 2: Plasmas covers topics on magnetically confined plasmas. The book starts by providing the history of fusion research and describing the various approaches in both magnetically and inertially confined plasmas. The text then gives a general discussion of the basic concepts and properties in confinement and heating of a plasma. The theory of atomic collisions that result in excited quantum states, particularly highly ionized impurity atoms; and diverse diagnostic topics such as emission spectra, laser scattering, electron cyclotron emission, particle bea

  15. An Interactive Gallery of Planetary Nebula Spectra (United States)

    Kwitter, K. B.; Henry, R. B. C.


    We have created a website containing high-quality moderate-resolution spectra of 88 planetary nebulae (PNe) from 3600 to 9600 Å, obtained at KPNO and CTIO. Spectra are displayed in a zoomable window, and there are templates available that show wavelength and ion identifications. In addition to the spectra themselves, the website also contains a brief discussion of PNe as astronomical objects and as contributors to our understanding of stellar evolution, and a table with atlas information for each object along with a link to an image. This table can be re-ordered by object name, galactic or equatorial coordinates, distance from the sun, the galactic center, or the galactic plane. We envision that this website, which concentrates a large amount of data in one place, will be of interest to a variety of users. PN researchers might need to check the spectrum of a particular object of interest; the non-specialist astronomer might simply be interested in perusing such a collection of spectra; and finally, teachers of introductory astronomy can use this database to illustrate basic principles of atomic physics and radiation. To encourage such use, we have written two simple exercises at a basic level to introduce beginning astronomy students to the wealth of information that PN spectra contain. We are grateful to Adam Wang of the Williams College OIT and to his summer student teams who worked on various apects of the implementation of this website. This work has been supported by NSF grant AST-9819123 and by Williams College and the University of Oklahoma.

  16. SPECTRW: A software package for nuclear and atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kalfas, C.A., E-mail: [National Centre for Scientific Research Demokritos, Institute of Nuclear & Particle Physics, 15310 Agia Paraskevi, Attiki (Greece); Axiotis, M. [National Centre for Scientific Research Demokritos, Institute of Nuclear & Particle Physics, 15310 Agia Paraskevi, Attiki (Greece); Tsabaris, C. [Hellenic Centre for Marine Research, Institute of Oceanography, 46.7 Km Athens-Sounio Ave, P.O. Box 712, Anavyssos 19013 (Greece)


    A software package to be used in nuclear and atomic spectroscopy is presented. Apart from analyzing γ and X-ray spectra, it offers many additional features such as de-convolution of multiple photopeaks, sample analysis and activity determination, detection system evaluation and an embedded code for spectra simulation.

  17. High Atom Number in Microsized Atom Traps (United States)


    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  18. Control spectra for Quito (United States)

    Aguiar, Roberto; Rivas-Medina, Alicia; Caiza, Pablo; Quizanga, Diego


    The Metropolitan District of Quito is located on or very close to segments of reverse blind faults, Puengasí, Ilumbisí-La Bota, Carcelen-El Inca, Bellavista-Catequilla and Tangahuilla, making it one of the most seismically dangerous cities in the world. The city is divided into five areas: south, south-central, central, north-central and north. For each of the urban areas, elastic response spectra are presented in this paper, which are determined by utilizing some of the new models of the Pacific Earthquake Engineering Research Center (PEER) NGA-West2 program. These spectra are calculated considering the maximum magnitude that could be generated by the rupture of each fault segment, and taking into account the soil type that exists at different points of the city according to the Norma Ecuatoriana de la Construcción (2015). Subsequently, the recurrence period of earthquakes of high magnitude in each fault segment is determined from the physical parameters of the fault segments (size of the fault plane and slip rate) and the pattern of recurrence of type Gutenberg-Richter earthquakes with double truncation magnitude (Mmin and Mmax) is used.

  19. Ab initio calculations and modelling of atomic cluster structure

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Lyalin, Andrey G.; Solov'yov, Andrey V.


    framework for modelling the fusion process of noble gas clusters is presented. We report the striking correspondence of the peaks in the experimentally measured abundance mass spectra with the peaks in the size-dependence of the second derivative of the binding energy per atom calculated for the chain...... of the noble gas clusters up to 150 atoms....

  20. Invisible structures in the X-ray absorption spectra of actinides

    NARCIS (Netherlands)

    Kvashnina, Kristina O.; De Groot, Frank M F|info:eu-repo/dai/nl/08747610X

    The X-ray absorption spectra of actinides are discussed with an emphasis on the fundamental effects that influence their spectral shape, including atomic multiplet theory, charge transfer theory and crystal field theory. Many actinide spectra consist of a single peak and it is shown that the use of

  1. Precise atomic radiative lifetime via photoassociative spectroscopy of ultracold lithium

    NARCIS (Netherlands)

    McAlexander, W.I.; Abraham, E.R.I.; Ritchie, N.W.M.; Williams, C.J.; Stoof, H.T.C.; Hulet, R.G.


    We have obtained spectra of the high-lying vibrational levels of the 13Σg+ state of 6Li2 via photoassociation of ultracold 6Li atoms confined in a magneto-optical trap. The 13Σg+ state of the diatomic molecule correlates to a 2S1/2 state atom plus a 2P1/2 state atom. The long-range part of the

  2. "Bohr's Atomic Model." (United States)

    Willden, Jeff


    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  3. Perfect Precision Detecting Probability Of An Atom Via Sgc Mechanism (United States)

    Hamedi, H. R.


    This letter investigates a scheme of high efficient two-dimensional (2D) atom localization via scanning probe absorption in a Y-type four-level atomic scheme with two orthogonal standing waves. It is shown that because of the position dependent atom-field interaction, the spatial probability distribution of the atom can be directly determined via monitoring the probe absorption and gain spectra. The impact of different controlling parameters of the system on 2D localization is studied. We find that owning the effect of spontaneously generated coherence (SGC), the atom can be localized at a particular position and the maximal probability of detecting the atom within the sub-wavelength domain of the two orthogonal standing waves reaches to hundred percent. Phase controlling of position dependent probe absorption is then discussed. The presented scheme may be helpful in laser cooling or atom nanolithography via high precision and high resolution atom localization.

  4. INTRIGOSS: A new Library of High Resolution Synthetic Spectra (United States)

    Franchini, Mariagrazia; Morossi, Carlo; Di Marcancantonio, Paolo; Chavez, Miguel; GES-Builders


    INTRIGOSS (INaf Trieste Grid Of Synthetic Spectra) is a new High Resolution (HiRes) synthetic spectral library designed for studying F, G, and K stars. The library is based on atmosphere models computed with specified individual element abundances via ATLAS12 code. Normalized SPectra (NSP) and surface Flux SPectra (FSP), in the 4800-5400 Å wavelength range, were computed by means of the SPECTRUM code. The synthetic spectra are computed with an atomic and bi-atomic molecular line list including "bona fide" Predicted Lines (PLs) built by tuning loggf to reproduce very high SNR Solar spectrum and the UVES-U580 spectra of five cool giants extracted from the Gaia-ESO survey (GES). The astrophysical gf-values were then assessed by using more than 2000 stars with homogenous and accurate atmosphere parameters and detailed chemical composition from GES. The validity and greater accuracy of INTRIGOSS NSPs and FSPs with respect to other available spectral libraries is discussed. INTRIGOSS will be available on the web and will be a valuable tool for both stellar atmospheric parameters and stellar population studies.

  5. Sequencing BPS spectra

    Energy Technology Data Exchange (ETDEWEB)

    Gukov, Sergei [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Max-Planck-Institut für Mathematik,Vivatsgasse 7, D-53111 Bonn (Germany); Nawata, Satoshi [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Centre for Quantum Geometry of Moduli Spaces, University of Aarhus,Nordre Ringgade 1, DK-8000 (Denmark); Saberi, Ingmar [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Stošić, Marko [CAMGSD, Departamento de Matemática, Instituto Superior Técnico,Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Mathematical Institute SANU,Knez Mihajlova 36, 11000 Belgrade (Serbia); Sułkowski, Piotr [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Faculty of Physics, University of Warsaw,ul. Pasteura 5, 02-093 Warsaw (Poland)


    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  6. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon


    This book is written to teach atom structure in very easy way. It is divided into nine chapters, which indicates what is the components of matter? when we divide matter continuously, it becomes atom, what did atom look like? particles comprised of matter is not only atom, discover of particles comprised of atom, symbol of element, various radiation, form alchemy to nuclear transmutation, shape of atom is evolving. It also has various pictures in each chapters to explain easily.

  7. Playing pinball with atoms. (United States)

    Saedi, Amirmehdi; van Houselt, Arie; van Gastel, Raoul; Poelsema, Bene; Zandvliet, Harold J W


    We demonstrate the feasibility of controlling an atomic scale mechanical device by an external electrical signal. On a germanium substrate, a switching motion of pairs of atoms is induced by electrons that are directly injected into the atoms with a scanning tunneling microscope tip. By precisely controlling the tip current and distance we make two atom pairs behave like the flippers of an atomic-sized pinball machine. This atomic scale mechanical device exhibits six different configurations.

  8. Recent Developments in the NIST Atomic Databases (United States)

    Kramida, Alexander


    New versions of the NIST Atomic Spectra Database (ASD, v. 4.0) and three bibliographic databases (Atomic Energy Levels and Spectra, v. 2.0, Atomic Transition Probabilities, v. 9.0, and Atomic Line Broadening and Shapes, v. 3.0) have recently been released. In this contribution I will describe the main changes in the way users get the data through the Web. The contents of ASD have been significantly extended. In particular, the data on highly ionized tungsten (W III-LXXIV) have been added from a recently published NIST compilation. The tables for Fe I and Fe II have been replaced with newer, much more extensive lists (10000 lines for Fe I). The other updated or new spectra include H, D, T, He I-II, Li I-III, Be I-IV, B I-V, C I-II, N I-II, O I-II, Na I-X, K I-XIX, and Hg I. The new version of ASD now incorporates data on isotopes of several elements. I will describe some of the issues the NIST ASD Team faces when updating the data.

  9. Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. (United States)

    Ratsch, C; Fielicke, A; Kirilyuk, A; Behler, J; von Helden, G; Meijer, G; Scheffler, M


    The far-infrared vibrational spectra for charged vanadium clusters with sizes of 3-15 atoms have been measured using infrared multiple photon dissociation of Vn+Ar-->Vn(+)+Ar. Using density-functional theory calculations, we calculated the ground state energy and vibrational spectra for a large number of stable and metastable geometries of such clusters. Comparison of the calculated vibrational spectra with those obtained in the experiment allows us to deduce the cluster size specific atomic structures. In several cases, a unique atomic structure can be identified, while in other cases our calculations suggest the presence of multiple isomers.

  10. Highly Dense Isolated Metal Atom Catalytic Sites

    DEFF Research Database (Denmark)

    Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei


    Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X......-ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation...

  11. Interatomic scattering in energy dependent photoelectron spectra of Ar clusters

    Energy Technology Data Exchange (ETDEWEB)

    Patanen, M.; Benkoula, S.; Nicolas, C.; Goel, A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Antonsson, E. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Physikalische und Theoretische Chemie Institut für Chemie und Biochemie, Fachbereich Biologie, Chemie, Pharmazie, Freie Universität Berlin, Takustrasse 3, 14195 Berlin (Germany); Neville, J. J. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2 (Canada); Miron, C., E-mail: [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Extreme Light Infrastructure - Nuclear Physics (ELI-NP), ‘Horia Hulubei’ National Institute for Physics and Nuclear Engineering, 30 Reactorului Street, RO-077125 Măgurele, Jud. Ilfov (Romania)


    Soft X-ray photoelectron spectra of Ar 2p levels of atomic argon and argon clusters are recorded over an extended range of photon energies. The Ar 2p intensity ratios between atomic argon and clusters’ surface and bulk components reveal oscillations similar to photoelectron extended X-ray absorption fine structure signal (PEXAFS). We demonstrate here that this technique allows us to analyze separately the PEXAFS signals from surface and bulk sites of free-standing, neutral clusters, revealing a bond contraction at the surface.

  12. Atomic transition probabilities of Gd i

    Energy Technology Data Exchange (ETDEWEB)

    Lawler, J E; Den Hartog, E A [Department of Physics, University of Wisconsin, 1150 University Avenue, Madison, WI 53706 (United States); Bilty, K A, E-mail:, E-mail:, E-mail: [Department of Physics and Astronomy, University of Wisconsin-Eau Claire, Eau Claire, WI 54702 (United States)


    Fourier transform spectra are used to determine emission branching fractions for 1290 lines of the first spectrum of gadolinium (Gd i). These branching fractions are converted to absolute atomic transition probabilities using previously reported radiative lifetimes from time-resolved laser-induced-fluorescence measurements (Den Hartog et al 2011 J. Phys. B: At. Mol. Opt. Phys. 44 055001). The wavelength range of the data set is from 300 to 1850 nm. A least squares technique for separating blends of the first and second spectra lines is also described and demonstrated in this work.

  13. Control the fear atomic

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jong Gwan [I and Book, Seoul (Korea, Republic of)


    This book has a lot of explanation of nuclear energy with articles. Their titles are the bad man likes atomic, the secret of atom, nuclear explosion, NPT?, the secret of uranium fuel rod, nuclear power plant vs nuclear bomb, I hate atomic, keep plutonium in control, atomic in peace and find out alternative energy.

  14. Optical Frequency Comb Spectroscopy of Rare Earth Atoms (United States)

    Swiatlowski, Jerlyn; Palm, Christopher; Joshi, Trinity; Montcrieffe, Caitlin; Jackson Kimball, Derek


    We discuss progress in our experimental program to employ optical-frequency-comb-based spectroscopy to understand the complex spectra of rare-earth atoms. We plan to carry out systematic measurements of atomic transitions in rare-earth atoms to elucidate the energy level structure and term assignment and determine presently unknown atomic state parameters. This spectroscopic information is important in view of the increasing interest in rare-earth atoms for atomic frequency standards, in astrophysical investigations of chemically peculiar stars, and in tests of fundamental physics (tests of parity and time-reversal invariance, searches for time variation of fundamental constants, etc.). We are presently studying the use of hollow cathode lamps as atomic sources for two-photon frequency comb spectroscopy. Supported by the National Science Foundation under grant PHY-0958749.

  15. Influence of hydrogen on hydrogenated cadmium telluride optical spectra

    Energy Technology Data Exchange (ETDEWEB)

    Pociask, M.; Polit, J.; Sheregii, E.; Cebulski, J. [Institute of Physics, University of Rzeszow (Poland); Kisiel, A. [Institute of Physics, Jagiellonian University, Krakow (Poland); Mycielski, A. [Institute of Physics, PAS, Warszawa (Poland); Morgiel, J. [Polish Academy of Sciences, Institute of Metallurgy and Materials Sciences, Krakow (Poland); Piccinini, M. [INFN-Laboratori Nazionali di Frascati (Italy); Dipartimento Scienze Geologiche, Universita Roma Tre, Rome (Italy); Marcelli, A.; Robouch, B.; Guidi, M.C. [INFN-Laboratori Nazionali di Frascati (Italy); Savchyn, V. [Ivan Franko Lviv National University (Ukraine); Izhnin, I.I. [Institute for Materials SRC ' ' Carat' ' , Lviv (Ukraine); Zajdel, P. [Institute of Fizyki, University of Silesia, 4 Uniwersytecka Str., 40-007 Katowice (Poland); Nucara, A. [Universita' di Roma La Sapienza, P. le Aldo Moro 1, Rome (Italy)


    The presence of oxygen impurity in semiconducting materials affects the electrical properties of crystals and significantly limits their application. To remove oxygen impurity, ultra-pure hydrogen is used while growing Te-containing crystals such as CdTe, CdZnTe, and ZnTe. The hydrogenation of CdTe crystals is a technological process that purifies the basic material from oxygen, mainly cadmium and tellurium oxide compounds incorporated in CdTe crystalline lattice. In the present work we analyses the deformations induced by hydrogen and oxygen atoms in CdTe crystals looking at their influence on the near fundamental band (NFB), middle infrared (MIR) and far infrared (FIR) reflectivity spectra as well as on cathodoluminescence (CL) spectra. Comparison of the hydrogenated CdTe phonon structure profiles confirms the presence of hydrogen atoms bounded inside the lattice. The possible localization of hydrogen and oxygen ions within the tetrahedron coordinated lattice is discussed in the framework of a model that shows a good agreement with recent NFB, MIR and FIR experiments carried out on hydrogenated CdTe crystals. Measured reflection spectra in the wavelength range 190-1400 nm (NFB) indicate the appearance in CdTe(H{sub M}) and CdTe(H{sub L}) of additional maxima at 966 nm related to the electron transitions from level about 0.2 eV above the valence band. The CL spectra confirmed existence of this electron level. We present a possible H{sub 2} alignment similar to the single H model i.e., over the face (at about 0.38 Aa). For this model the angle from the central atom to the H atoms is equal to 64 which is also close to the bonding angle of CdH{sub 2} (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Microwave Spectroscopy of Cold Rubidium Atoms


    Entin, V. M.; Ryabtsev, I. I.


    The effect of microwave radiation on the resonance fluorescence of a cloud of cold $^{85}Rb$ atoms in a magnetooptical trap is studied. The radiation frequency was tuned near the hyperfine splitting frequency of rubidium atoms in the 5S ground state. The microwave field induced magnetic dipole transitions between the magnetic sublevels of the 5S(F=2) and 5S(F=3) states, resulting in a change in the fluorescence signal. The resonance fluorescence spectra were recorded by tuning the microwave r...

  17. Raman spectra of lithium compounds (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.


    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  18. [Spectra and thermal analysis of the arc in activating flux plasma arc welding]. (United States)

    Chai, Guo-Ming; Zhu, Yi-Feng


    In activating flux plasma arc welding the welding arc was analyzed by spectra analysis technique, and the welding arc temperature field was measured by the infrared sensing and computer image technique. The distribution models of welding arc heat flow density of activating flux PAW welding were developed. The composition of welding arc affected by activated flux was studied, and the welding arc temperature field was studied. The results show that the spectral lines of argon atom and ionized argon atom of primary ionization are the main spectra lines of the conventional plasma welding arc. The spectra lines of weld metal are inappreciable in the spectra lines of the conventional plasma welding arc. The gas particle is the main in the conventional plasma welding arc. The conventional plasma welding arc is gas welding arc. The spectra lines of argon atom and ionized argon atom of primary ionization are intensified in the activating flux plasma welding arc, and the spectra lines of Ti, Cr and Fe elements are found in the activating flux plasma welding arc. The welding arc temperature distribution in activating flux plasma arc welding is compact, the outline of the welding arc temperature field is narrow, the range of the welding arc temperature distribution is concentrated, the welding arc radial temperature gradient is large, and the welding arc radial temperature gradient shows normal Gauss distribution.

  19. Interpretation of wave energy spectra

    National Research Council Canada - National Science Library

    Thompson, E.F


    Guidelines for interpreting nondirectional wave energy spectra and presented. A simple method is given for using the spectrum to estimate a significant height and period for each major wave train in most sea states...

  20. Infrared spectra of mineral species

    CERN Document Server

    Chukanov, Nikita V


    This book details more than 3,000 IR spectra of more than 2,000 mineral species collected during last 30 years. It features full descriptions and analytical data of each sample for which IR spectrum was obtained.

  1. Pileup correction of microdosimetric spectra

    CERN Document Server

    Langen, K M; Lennox, A J; Kroc, T K; De Luca, P M


    Microdosimetric spectra were measured at the Fermilab neutron therapy facility using low pressure proportional counters operated in pulse mode. The neutron beam has a very low duty cycle (<0.1%) and consequently a high instantaneous dose rate which causes distortions of the microdosimetric spectra due to pulse pileup. The determination of undistorted spectra at this facility necessitated (i) the modified operation of the proton accelerator to reduce the instantaneous dose rate and (ii) the establishment of a computational procedure to correct the measured spectra for remaining pileup distortions. In support of the latter effort, two different pileup simulation algorithms using analytical and Monte-Carlo-based approaches were developed. While the analytical algorithm allows a detailed analysis of pileup processes it only treats two-pulse and three-pulse pileup and its validity is hence restricted. A Monte-Carlo-based pileup algorithm was developed that inherently treats all degrees of pileup. This algorithm...

  2. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    A nanoscale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon-atom interactions . A neutral - atom platform based on this microfabrication technology will be prealigned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano-waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  3. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J


    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  4. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  5. Photon spectra from WIMP annihilation


    Ruiz Cembranos, José Alberto; Cruz Dombriz, Álvaro de la; Dobado González, Antonio; Lineros, R. A.; López Maroto, Antonio


    If the present dark matter in the Universe annihilates into standard model particles, it must contribute to the fluxes of cosmic rays that are detected on the Earth and, in particular, to the observed gamma-ray fluxes. The magnitude of such a contribution depends on the particular dark matter candidate, but certain features of the produced photon spectra may be analyzed in a rather model-independent fashion. In this work we provide the complete photon spectra coming from WIMP annihilation int...

  6. Two-photon excitation of rubidium atoms inside porous glass (United States)

    Amy, L.; Lenci, L.; Villalba, S.; Failache, H.; Lezama, A.


    We study the two-photon laser excitation to the 5 D5 /2 energy level of 85Rb atoms contained in the interstices of a porous material made from sintered ground glass with typical pore dimensions in the 10-100 μ m range. The excitation spectra show unusual flat-top line shapes, which are shown to be the consequence of wave-vector randomization of the laser light in the porous material. For large atomic densities, the spectra are affected by radiation trapping around the D2 transitions. The effect of the transient atomic response limited by the time of flight between pores walls appears to have a minor influence in the excitation spectra. It is however revealed by the shortening of the temporal evolution of the emitted blue light following a sudden switch-off of the laser excitation.

  7. Atomic Transition Probabilities for Neutral Cerium (United States)

    Lawler, J. E.; den Hartog, E. A.; Wood, M. P.; Nitz, D. E.; Chisholm, J.; Sobeck, J.


    The spectra of neutral cerium (Ce I) and singly ionized cerium (Ce II) are more complex than spectra of other rare earth species. The resulting high density of lines in the visible makes Ce ideal for use in metal halide (MH) High Intensity Discharge (HID) lamps. Inclusion of cerium-iodide in a lamp dose can improve both the Color Rendering Index and luminous efficacy of a MH-HID lamp. Basic spectroscopic data including absolute atomic transition probabilities for Ce I and Ce II are needed for diagnosing and modeling these MH-HID lamps. Recent work on Ce II [1] is now being augmented with similar work on Ce I. Radiative lifetimes from laser induced fluorescence measurements [2] on neutral Ce are being combined with emission branching fractions from spectra recorded using a Fourier transform spectrometer. A total of 14 high resolution spectra are being analyzed to determine branching fractions for 2000 to 3000 lines from 153 upper levels in neutral Ce. Representative data samples and progress to date will be presented. [4pt] [1] J. E. Lawler, C. Sneden, J. J. Cowan, I. I. Ivans, and E. A. Den Hartog, Astrophys. J. Suppl. Ser. 182, 51-79 (2009). [0pt] [2] E. A. Den Hartog, K. P. Buettner, and J. E. Lawler, J. Phys. B: Atomic, Molecular & Optical Physics 42, 085006 (7pp) (2009).

  8. Atomic vapor density monitor

    Energy Technology Data Exchange (ETDEWEB)

    Sewall, N.; Harris, W.; Beeler, R.; Wooldridge, J.; Chen, H.L.


    This report presents information on the Atomic Vapor Density Monitor (AVDM) system that measures the density of a vapor by measuring the absorption of light from a swept-wavelength laser that passes through an atomic vapor stream.

  9. Two-Color Laser Resonance Ionization Spectroscopy of Zirconium Atoms (United States)

    Hasegawa, Shuichi; Nagamoto, Daisuke


    We have performed two-color laser resonance ionization spectroscopy of zirconium atoms to measure the energies of excited states below the third ionization limit. The number of intermediate states that we observed is 19, and energies deduced from the experiments agree with previous data. Complex ionization spectra of the excited states were observed through the intermediate states. The values of the first, second, and third ionization limits were derived from the Rydberg series of the spectra with quantum defect theory.

  10. Playing Pinball with Atoms

    NARCIS (Netherlands)

    Saedi, A.; van Houselt, Arie; van Gastel, Raoul; Poelsema, Bene; Zandvliet, Henricus J.W.


    We demonstrate the feasibility of controlling an atomic scale mechanical device by an external electrical signal. On a germanium substrate, a switching motion of pairs of atoms is induced by electrons that are directly injected into the atoms with a scanning tunneling microscope tip. By precisely

  11. Direct detection of antihydrogen atoms using a BGO crystal

    Energy Technology Data Exchange (ETDEWEB)

    Nagata, Y. [Department of Applied Physics, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei-shi, 184-8588 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Kuroda, N., E-mail: [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Ohtsuka, M. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Leali, M.; Lodi-Rizzini, E.; Mascagna, V. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Tajima, M.; Torii, H.A. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Zurlo, N. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Matsuda, Y. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Venturelli, L. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Yamazaki, Y. [Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan)


    The ASACUSA collaboration has developed a detector consisting of a large size BGO crystal to detect an atomic antihydrogen beam, and performed the direct detection of antihydrogen atoms. Energy spectra from antihydrogen annihilation on the BGO crystal are discussed in comparison to simulation results from the GEANT4 toolkit. Background mainly originating from cosmic rays were strongly suppressed by analyzing the energy deposited in the BGO and requiring a multiplicity of charged pions. Thus antihydrogen events were identified.

  12. Atomic Layer Epitaxial Growth of Gaas on Porous Silicon Substrate


    Mohamed Lajnef; Afrah Bardaoui; Isabelle Sagne; Radwan Chtouroua; Hatem Ezzaouia


    GaAs thin film has been grown on porous silicon by metal organic chemical vapour deposition (MOCVD) for different growth temperatures using atomic layer epitaxy (ALE) technique. The morphology of GaAs layer was investigated by atomic force microscopy (AFM). The effect of growth temperature is studied using photoluminescence measurements (PL).The photoluminescence spectra revealed a dissymmetry form toward high energies attributed to strain effect resulting from the lattice mismatch between Ga...

  13. Atomization characteristics of a prefilming airblast atomizer (United States)

    Hayashi, Shigeru; Koito, Atsushi; Hishiki, Manabu


    The size distribution of water test sprays generated by a prefilming airblast atomizer used for aeroengines was measured in swirling and non-swirling flows with the well established laser scattering particle sizing technique. Atomizing air velocity (or pressure difference) was varied in a range wider than the conditions of actual engines. The Sauter Mean Diameter (SMD) decreased at approximately a 1.5 power of the atomizing air velocity, being a higher velocity index than the previously reported values of 1 to 1.2. It was unexpectedly found that the effect of the liquid/air flow ratio was small. Since swirling flow increased the SMD at lower air velocities yet decreased it at higher ones, it is suggested that the reverse flow near the nozzle pintle adversely affects atomization.


    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail:, E-mail:, E-mail:, E-mail:, E-mail: [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)


    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  15. Single atom electrochemical and atomic analytics (United States)

    Vasudevan, Rama

    In the past decade, advances in electron and scanning-probe based microscopies have led to a wealth of imaging and spectroscopic data with atomic resolution, yielding substantial insight into local physics and chemistry in a diverse range of systems such as oxide catalysts, multiferroics, manganites, and 2D materials. However, typical analysis of atomically resolved images is limited, despite the fact that image intensities and distortions of the atoms from their idealized positions contain unique information on the physical and chemical properties inherent to the system. Here, we present approaches to data mine atomically resolved images in oxides, specifically in the hole-doped manganite La5/8Ca3/8MnO3, on epitaxial films studied by in-situ scanning tunnelling microscopy (STM). Through application of bias to the STM tip, atomic-scale electrochemistry is demonstrated on the manganite surface. STM images are then further analyzed through a suite of algorithms including 2D autocorrelations, sliding window Fourier transforms, and others, and can be combined with basic thermodynamic modelling to reveal relevant physical and chemical descriptors including segregation energies, existence and strength of atomic-scale diffusion barriers, surface energies and sub-surface chemical species identification. These approaches promise to provide tremendous insights from atomically resolved functional imaging, can provide relevant thermodynamic parameters, and auger well for use with first-principles calculations to yield quantitative atomic-level chemical identification and structure-property relations. This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE. Research was conducted at the Center for Nanophase Materials Sciences, which also provided support and is a DOE Office of Science User Facility.

  16. Multilevel Atomic Coherent States and Atomic Holomorphic Representation (United States)

    Cao, Chang-Qi; Haake, Fritz


    The notion of atomic coherent states is extended to the case of multilevel atom collective. Based on atomic coherent states, a holomorphic representation for atom collective states and operators is defined. An example is given to illustrate its application.

  17. Polarization spectroscopy of atomic erbium in a hollow cathode lamp (United States)

    Ang’ong’a, Jackson; Gadway, Bryce


    In this work we perform polarization spectroscopy of erbium atoms in a hollow cathode lamp (HCL). We review the theory behind Doppler-free polarization spectroscopy, theoretically model the expected erbium polarization spectra, and compare the numerically calculated spectra to our experimental data. We further analyze the dependence of the measured spectra on the HCL current and the peak intensities of our pump and probe lasers to determine conditions. Applications include wavelength stabilization of diode laser radiation to the 400.91 nm erbium transition.

  18. Fluorescence Spectra of Highlighter Inks (United States)

    Birriel, Jennifer J.; King, Damon


    Fluorescence spectra excited by laser pointers have been the subject of several papers in "TPT". These papers all describe a fluorescence phenomenon in which the reflected laser light undergoes a change in color: this color change results from the combination of some partially reflected laser light and additional colors generated by…

  19. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan


    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...


    African Journals Online (AJOL)

    Preferred Customer

    characterized by melting point, molar conductivity, magnetic moment, elemental analysis, infrared spectra and thermal analyses. ... methyl-quinazolinone and the final products of the thermogravimetric analysis were recorded on a Perkin-Elmer FT-IR type ..... [Cu(CH3COO)(L)3]. CuO + 5C +12C2H2 + 4NO + NH3 + 0.5N2.

  1. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations


    Cvitas, Marko T.; Soldan, Pavel; Hutson, Jeremy M.


    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  2. Symposium on atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)


    Topics covered by the conference include: fast beam spectroscopy; astrophysical and other spectra; highly ionized spectroscopy; complex spectra; rydberg levels; fine structure, hyperfine structure and isotope shift; lineshapes; lifetimes, oscillator strengths and Einstein coefficients; and spectroscopy with lasers. Abstracts of the conference papers are presented. (GHT)

  3. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant


    Much of our understanding of physics in the last 30-plus years has come from research on atoms, photons, and their interactions. Collecting information previously scattered throughout the literature, Modern Atomic Physics provides students with one unified guide to contemporary developments in the field. After reviewing metrology and preliminary material, the text explains core areas of atomic physics. Important topics discussed include the spontaneous emission of radiation, stimulated transitions and the properties of gas, the physics and applications of resonance fluorescence, coherence, cooling and trapping of charged and neutral particles, and atomic beam magnetic resonance experiments. Covering standards, a different way of looking at a photon, stimulated radiation, and frequency combs, the appendices avoid jargon and use historical notes and personal anecdotes to make the topics accessible to non-atomic physics students. Written by a leader in atomic and optical physics, this text gives a state-of-the...

  4. Single atom microscopy. (United States)

    Zhou, Wu; Oxley, Mark P; Lupini, Andrew R; Krivanek, Ondrej L; Pennycook, Stephen J; Idrobo, Juan-Carlos


    We show that aberration-corrected scanning transmission electron microscopy operating at low accelerating voltages is able to analyze, simultaneously and with single atom resolution and sensitivity, the local atomic configuration, chemical identities, and optical response at point defect sites in monolayer graphene. Sequential fast-scan annular dark-field (ADF) imaging provides direct visualization of point defect diffusion within the graphene lattice, with all atoms clearly resolved and identified via quantitative image analysis. Summing multiple ADF frames of stationary defects produce images with minimized statistical noise and reduced distortions of atomic positions. Electron energy-loss spectrum imaging of single atoms allows the delocalization of inelastic scattering to be quantified, and full quantum mechanical calculations are able to describe the delocalization effect with good accuracy. These capabilities open new opportunities to probe the defect structure, defect dynamics, and local optical properties in 2D materials with single atom sensitivity.

  5. Laser Spectroscopy of Antiprotonic Helium Atoms

    CERN Multimedia


    %PS205 %title\\\\ \\\\Following the discovery of metastable antiprotonic helium atoms ($\\overline{p}He^{+} $) at KEK in 1991, systematic studies of their properties were made at LEAR from 1991 to 1996. In the first two years the lifetime of $\\overline{p}He^{+}$ in liquid and gaseous helium at various temperatures and pressures was measured and the effect of foreign gases on the lifetime of these atoms was investigated. Effects were also discovered which gave the antiproton a 14\\% longer lifetime in $^4$He than in $^3$He, and resulted in important differences in the shape of the annihilation time spectra in the two isotopes.\\\\ \\\\Since 1993 laser spectroscopy of the metastable $\\overline{p}He^{+}$ atoms became the main focus of PS205. Transitions were stimulated between metastable and non-metastable states of the $\\overline{p}He^{+}$ atom by firing a pulsed dye laser beam into the helium target every time an identified metastable atom was present (Figure 1). If the laser frequency matched the transition energy, the...

  6. Investigations of interhydrogen bond dynamical coupling effects in the polarized IR spectra of acetanilide crystals. (United States)

    Flakus, Henryk T; Michta, Anna


    This Article presents the investigation results of the polarized IR spectra of the hydrogen bond in acetanilide (ACN) crystals measured in the frequency range of the proton and deuteron stretching vibration bands, nu(N-H) and nu(N-D). The basic spectral properties of the crystals were interpreted quantitatively in terms of the "strong-coupling" theory. The model of the centrosymmetric dimer of hydrogen bonds postulated by us facilitated the explanation of the well-developed, two-branch structure of the nu(N-H) and nu(N-D) bands as well as the isotopic dilution effects in the spectra. On the basis of the linear dichroic and temperature effects in the polarized IR spectra of ACN crystals, the H/D isotopic "self-organization" effects were revealed. A nonrandom distribution of hydrogen isotope atoms (H or D) in the lattice was deduced from the spectra of isotopically diluted ACN crystals. It was also determined that identical hydrogen isotope atoms occupy both hydrogen bonds in the dimeric systems, where each hydrogen bond belongs to a different chain. A more complex fine structure pattern of nu(N-H) and nu(N-D) bands in ACN spectra in comparison with the spectra of other secondary amides (e.g., N-methylacetamide) can be explained in terms of the "relaxation" theory of the IR spectra of hydrogen-bonded systems.

  7. Solar Spectroscopy: Atomic Processes (United States)

    Mason, H.; Murdin, P.


    A Greek philosopher called DEMOCRITUS (c. 460-370 BC) first introduced the concept of atoms (which means indivisible). His atoms do not precisely correspond to our atoms of today, which are not indivisible, but made up of a nucleus (protons with positive charge and neutrons which have no charge) and orbiting electrons (with negative charge). Indeed, in the solar atmosphere, the temperature is suc...

  8. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  9. Electronic spectra from TDDFT and machine learning in chemical space

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)


    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

  10. Calculation of {beta}-ray spectra. Odd-odd nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering


    In order to study {beta}-ray of atomic nucleus, it is natural to consider {beta}-ray data fundamental and important. In a recent experiment, Rudstam measured {beta}-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on {beta}-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of {beta}-ray through decay heat for its various properties due to the general theory of the {beta}-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the {beta} spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)

  11. Relationship between molecular structure and Raman spectra of quinolines (United States)

    Frosch, Torsten; Popp, Jürgen


    DFT calculations were applied to investigate the relationship between the molecular structure and the Raman spectra of quinolines. A variety of different quinolines with increasing complexity was investigated and an aminoquinoline nucleus was found that describes the Raman spectrum of protonated chloroquine. It was discovered that the biological important, rigid C7-chloro group and C4-side chain of chloroquine significantly disturb certain molecular vibrations. The protonation at the N1 position causes dramatic changes of the Raman bands in the wavenumber region between 1500 cm -1 and 1650 cm -1. These bands are putative marker bands of the aminoquinoline drugs for π-π interactions to the hematin targets in malaria infected cells. The calculation of the normal modes and the illustration of the associated atomic displacements are very valuable for a deeper understanding of the associated bands in the Raman spectra.

  12. Fast atom bombardment mass spectrometry of condensed tannin sulfonate derivatives (United States)

    J.J. Karchesy; L.Y. Foo; Richard W. Hemingway; E. Barofsky; D.F. Barofsky


    Condensed tannin sulfonate derivatives were studied by fast atom bombardment mass spectrometry (FAB-MS) to assess the feasibility of using this technique for determining molecular weight and structural information about these compounds. Both positive- and negative-ion spectra provided useful data with regard to molecular weight, cation species present, and presence of...

  13. Momentum densities and Compton profiles of alkali-metal atoms

    Indian Academy of Sciences (India)

    The latter situation reminds us of the well-known Moseley's law of. X-ray spectra. References. [1] A Sommerfeld, Atomic structure and spectral lines (Methuen and Co. Ltd., London, 1934). [2] N Schwentnu and M Chergeni, J. Chem. Phys. 85, 3458 (1986). A Bhattacharyya, P K Bera, M M Panja and B Talukdar, Phys. Rev.

  14. Single atom identification by energy dispersive x-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lovejoy, T. C.; Dellby, N.; Krivanek, O. L. [Nion, 1102 8th St., Kirkland, Washington 98033 (United States); Ramasse, Q. M. [SuperSTEM Laboratory, STFC Daresbury, Keckwick Lane, Daresbury WA4 4AD (United Kingdom); Falke, M.; Kaeppel, A.; Terborg, R. [Bruker Nano GmbH, Schwarzschildstr. 12, 12489 Berlin (Germany); Zan, R. [School of Physics and Astronomy, University of Manchester, Manchester M13 9PL (United Kingdom)


    Using aberration-corrected scanning transmission electron microscope and energy dispersive x-ray spectroscopy, single, isolated impurity atoms of silicon and platinum in monolayer and multilayer graphene are identified. Simultaneously acquired electron energy loss spectra confirm the elemental identification. Contamination difficulties are overcome by employing near-UHV sample conditions. Signal intensities agree within a factor of two with standardless estimates.

  15. Ultraviolet Fluorescence Spectra of Fingerprints

    Directory of Open Access Journals (Sweden)

    Naoki Saitoh


    Full Text Available We have studied inherent fluorescence spectra and imaging of fingerprints in the deep ultraviolet (UV region with a nanosecond-pulsed Nd-YAG laser system that consists of a tunable laser, a cooled CCD camera, and a grating spectrometer. In this paper, we have studied UV fluorescence spectra of fingerprints under 266-nm illumination. Fluorescence spectra of fingerprints have two main peaks, around 330 nm (peak A and 440 nm (peak B. At first, when a fingerprint has just been pressed, peak A is dominant. However, its intensity reduces as the total illumination time increases. On the other hand, peak B is weak at first. It appears after enough 266-nm illumination and its intensity increases as time elapses. After 3 h of illumination, peak A almost diminishes and peak B becomes dominant. By leaving the fingerprint under a fluorescent lamp in a room without laser illumination, peak A can be restored partly, while the intensity of peak B still increases.Time-resolved fluorescence spectra were also measured for these two peaks. The lifetime of each peak is 2.0 nsec (peak A and 6.2 nsec (peak B on average. Both peaks seem to consist of several components with different lifetimes. In the case of peak A, the 330-nm peak decays fast and a new component at 360 nm becomes dominant when the delay time exceeds 20 nsec. In the case of peak B, unlike peak A, no clear peak separation is observed, but the peak position seems to move from 440 to 460 nm when the delay time becomes larger.

  16. Catalogue of representative meteor spectra (United States)

    Vojáček, V.; Borovička, J.; Koten, P.; Spurný, P.; Štork, R.


    Aims: We present a library of low-resolution meteor spectra that includes sporadic meteors, members of minor meteor showers, and major meteor showers. These meteors are in the magnitude range from +2 to -3, corresponding to meteoroid sizes from 1 mm to 10 mm. Methods: Parallel double-station video observations allowed us to compute heliocentric orbits for all meteors. Most observations were performed during the periods of activity of major meteor showers in the years between 2006 and 2012. Spectra are classified according to relative intensities of the low-temperature emission lines of Mg, Na, and Fe. Results: Shower meteors were found to be of normal composition, except for Southern δ Aquariids and some members of the Geminid shower, neither of which have Na in the meteor spectra. Variations in Na content are typical for the Geminid shower. Three populations of Na-free mereoroids were identified. The first population are iron meteorites, which have an asteroidal-chondritic origin, but one meteoroid with low perihelion (0.11 AU) was found among the iron meteorites. The second population were Sun-approaching meteoroids in which sodium is depleted by thermal desorption. The third population were Na-free meteoroids of cometary origin. Long exposure to cosmic rays on the surface of comets in the Oort cloud and disintegration of this crust might be the origin of this population of meteoroids. Spectra (Figs. 17-30) are only, Tables 4-6 are also available at the CDS via anonymous ftp to ( or via

  17. Current Status of Atomic Spectroscopy Databases at NIST (United States)

    Kramida, Alexander; Ralchenko, Yuri; Reader, Joseph


    NIST's Atomic Spectroscopy Data Center maintains several online databases on atomic spectroscopy. These databases can be accessed via the web page. Our main database, Atomic Spectra Database (ASD), recently upgraded to v. 5.3, now contains critically evaluated data for about 250,000 spectral lines and 109,000 energy levels of almost all elements in the periodic table. This new version has added several thousand spectral lines and energy levels of Sn II, Mo V, W VIII, and Th I-III. Most of these additions contain critically evaluated transition probabilities important for astrophysics, technology, and fusion research. A new feature of ASD is providing line-ratio data for diagnostics of electron temperature and density in plasmas. Saha-Boltzmann plots have been modified by adding an experimental feature allowing the user to specify a multi-element mixture. We continue regularly updating our bibliography databases, ensuring comprehensive coverage of current literature on atomic spectra for energy levels, spectral lines, transition rates, hyperfine structure, isotope shifts, Zeeman and Stark effects. Our other popular databases, such as the Handbook of Basic Atomic Spectroscopy Data, searchable atlases of spectra of Pt-Ne and Th-Ne lamps, and non-LTE plasma-kinetics code comparisons, continue to be maintained.

  18. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip


    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  19. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    A Refresher Course in Applications of Quantum Mechanics to 'Atoms, Molecules and Radiation' will be held at the Indian Academy of Sciences, Bangalore from December 8 to 20. 2014. The Course is primarily aimed at teachers teaching quantum mechanics and/ or atomic and molecular physics at the UG / PG level.

  20. When Atoms Want (United States)

    Talanquer, Vicente


    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  1. Atomicity in Electronic Commerce, (United States)


    Atomicity in Electronic Commerce J. D. Tygar January 1996 CMU-CS-96-112 School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213...other research sponsor. Keywords: electronic commerce , atomicity, NetBill, IBIP, cryptography, transaction pro- cessing, ACID, franking, electronic ...goods over networks. Electronic commerce has inspired a large variety of work. Unfortunately, much of that work ignores traditional transaction

  2. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald


    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  3. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques


    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  4. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski


    Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.

  5. Atomic Data for Stellar Astrophysics: from the UV to the IR (United States)

    Wahlgren, Glenn M.


    The study of stars and stellar evolution relies heavily on the analysis of stellar spectra. The need for atomic line data from the ultraviolet (UV) to the infrared (lR) regions is greater now than ever. In the past twenty years, the time since the launch of the Hubble Space Telescope, great progress has been made in acquiring atomic data for UV transitions. The optical wavelength region, now expanded by progress in detector technology, continues to provide motivation for new atomic data. In addition, investments in new instrumentation for ground-based and space observatories has lead to the availability of high-quality spectra at IR wavelengths, where the need for atomic data is most critical. In this review, examples are provided of the progress made in generating atomic data for stellar studies, with a look to the future for addressing the accuracy and completeness of atomic data for anticipated needs.

  6. Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

    DEFF Research Database (Denmark)

    Martínez-Fernández, L.; Fahleson, Tobias; Norman, Patrick


    The excited electronic states of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing the magnetic circular dichroism (MCD) and one-photon absorption (OPA) spectra at the time-depe...

  7. Database-Driven Analyses of Astronomical Spectra (United States)

    Cami, Jan


    Spectroscopy is one of the most powerful tools to study the physical properties and chemical composition of very diverse astrophysical environments. In principle, each nuclide has a unique set of spectral features; thus, establishing the presence of a specific material at astronomical distances requires no more than finding a laboratory spectrum of the right material that perfectly matches the astronomical observations. Once the presence of a substance is established, a careful analysis of the observational characteristics (wavelengths or frequencies, intensities, and line profiles) allows one to determine many physical parameters of the environment in which the substance resides, such as temperature, density, velocity, and so on. Because of this great diagnostic potential, ground-based and space-borne astronomical observatories often include instruments to carry out spectroscopic analyses of various celestial objects and events. Of particular interest is molecular spectroscopy at infrared wavelengths. From the spectroscopic point of view, molecules differ from atoms in their ability to vibrate and rotate, and quantum physics inevitably causes those motions to be quantized. The energies required to excite vibrations or rotations are such that vibrational transitions generally occur at infrared wavelengths, whereas pure rotational transitions typically occur at sub-mm wavelengths. Molecular vibration and rotation are coupled though, and thus at infrared wavelengths, one commonly observes a multitude of ro-vibrational transitions (see Figure 13.1). At lower spectral resolution, all transitions blend into one broad ro-vibrational molecular band. The isotope. Molecular spectroscopy thus allows us to see a difference of one neutron in an atomic nucleus that is located at astronomical distances! Since the detection of the first interstellar molecules (the CH [21] and CN [14] radicals), more than 150 species have been detected in space, ranging in size from diatomic

  8. [Analysis of three-dimensional fluorescence overlapping spectra using differential spectra and independent component analysis]. (United States)

    Yu, Shao-Hui; Zhang, Yu-Jun; Zhao, Nan-Jing; Xiao, Xue; Wang, Huan-Bo; Yin, Gao-Fang


    The analysis of multi-component three-dimensional fluorescence overlapping spectra is always very difficult. In view of the advantage of differential spectra and based on the calculation principle of two-dimensional differential spectra, the three-dimensional fluorescence spectra with both excitation and emission spectra is fully utilized. Firstly, the excitation differential spectra and emission differential spectra are respectively computed after unfolding the three-dimensional fluorescence spectra. Then the excitation differential spectra and emission differential spectra of the single component are obtained by analyzing the multicomponent differential spectra using independent component analysis. In this process, the use of cubic spline increases the data points of excitation spectra, and the roughness penalty smoothing reduces the noise of emission spectra which is beneficial for the computation of differential spectra. The similarity indices between the standard spectra and recovered spectra show that independent component analysis based on differential spectra is more suitable for the component recognition of three-dimensional fluorescence overlapping spectra.

  9. Atomic transition probabilities of Er i

    Energy Technology Data Exchange (ETDEWEB)

    Lawler, J E; Den Hartog, E A [Department of Physics, University of Wisconsin, 1150 University Ave., Madison, WI 53706 (United States); Wyart, J-F, E-mail: jelawler@wisc.ed, E-mail: jean-francois.wyart@lac.u-psud.f, E-mail: eadenhar@wisc.ed [Laboratoire Aime Cotton, CNRS (UPR3321), Bat. 505, Centre Universitaire Paris-Sud, 91405-Orsay (France)


    Atomic transition probabilities for 562 lines of the first spectrum of erbium (Er i) are reported. These data are from new branching fraction measurements on Fourier transform spectra normalized with previously reported radiative lifetimes from time-resolved laser-induced fluorescence measurements (Den Hartog et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 155004). The wavelength range of the data set is from 298 to 1981 nm. In this work we explore the utility of parametric fits based on the Cowan code in assessing branching fraction errors due to lines connecting to unobserved lower levels.

  10. BPS spectra from BPS graphs


    Gabella, Maxime


    I present a simple graphical method to find the BPS spectra of $A_1$ theories of class S. BPS graphs provide a bridge between spectral networks and BPS quivers, the two main frameworks for the study of BPS states. Here I show how to essentially read off from a BPS graph the quantum spectrum generator (or BPS monodromy), expressed as a product of quantum dilogarithms. Thanks to the framed wall-crossing phenomenon for line defects, the determination of the BPS spectrum reduces to the computatio...

  11. Fractal spectra in generalized Fibonacci one-dimensional magnonic quasicrystals

    Energy Technology Data Exchange (ETDEWEB)

    Costa, C.H.O. [Departamento de Fisica Teorica e Experimental, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Vasconcelos, M.S., E-mail: [Escola de Ciencias e Tecnologia, Universidade Federal do Rio grande do Norte, 59072-970 Natal-RN (Brazil); Barbosa, P.H.R.; Barbosa Filho, F.F. [Departamento de Fisica, Universidade Federal do Piaui, 64049-550 Teresina-Pi (Brazil)


    In this work we carry out a theoretical analysis of the spectra of magnons in quasiperiodic magnonic crystals arranged in accordance with generalized Fibonacci sequences in the exchange regime, by using a model based on a transfer-matrix method together random-phase approximation (RPA). The generalized Fibonacci sequences are characterized by an irrational parameter {sigma}(p,q), which rules the physical properties of the system. We discussed the magnonic fractal spectra for first three generalizations, i.e., silver, bronze and nickel mean. By varying the generation number, we have found that the fragmentation process of allowed bands makes possible the emergence of new allowed magnonic bulk bands in spectra regions that were magnonic band gaps before, such as which occurs in doped semiconductor devices. This interesting property arises in one-dimensional magnonic quasicrystals fabricated in accordance to quasiperiodic sequences, without the need to introduce some deferent atomic layer or defect in the system. We also make a qualitative and quantitative investigations on these magnonic spectra by analyzing the distribution and magnitude of allowed bulk bands in function of the generalized Fibonacci number F{sub n} and as well as how they scale as a function of the number of generations of the sequences, respectively. - Highlights: Black-Right-Pointing-Pointer Quasiperiodic magnonic crystals are arranged in accordance with the generalized Fibonacci sequence. Black-Right-Pointing-Pointer Heisenberg model in exchange regime is applied. Black-Right-Pointing-Pointer We use a theoretical model based on a transfer-matrix method together random-phase approximation. Black-Right-Pointing-Pointer Fractal spectra are characterized. Black-Right-Pointing-Pointer We analyze the distribution of allowed bulk bands in function of the generalized Fibonacci number.

  12. Machine learning molecular dynamics for the simulation of infrared spectra. (United States)

    Gastegger, Michael; Behler, Jörg; Marquetand, Philipp


    Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects - typically neglected by conventional quantum chemistry approaches - we base our machine learning strategy on ab initio molecular dynamics simulations. While these simulations are usually extremely time consuming even for small molecules, we overcome these limitations by leveraging the power of a variety of machine learning techniques, not only accelerating simulations by several orders of magnitude, but also greatly extending the size of systems that can be treated. To this end, we develop a molecular dipole moment model based on environment dependent neural network charges and combine it with the neural network potential approach of Behler and Parrinello. Contrary to the prevalent big data philosophy, we are able to obtain very accurate machine learning models for the prediction of infrared spectra based on only a few hundreds of electronic structure reference points. This is made possible through the use of molecular forces during neural network potential training and the introduction of a fully automated sampling scheme. We demonstrate the power of our machine learning approach by applying it to model the infrared spectra of a methanol molecule, n -alkanes containing up to 200 atoms and the protonated alanine tripeptide, which at the same time represents the first application of machine learning techniques to simulate the dynamics of a peptide. In all of these case studies we find an excellent agreement between the infrared spectra predicted via machine learning models and the respective theoretical and experimental spectra.

  13. Electron-phonon interaction spectra in beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Najdyuk, Yu.G.; Shklyarevskij, O.I. (AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst. Nizkikh Temperatur)


    Micro-contact (MC) method was used to investigate spectra of electron-phonon interaction (EPI) in berillium. MC spectra and the known dependences of phonon state density in this metal have been compared in detail. It is shown that the MC spectra can be used for refining the berillium phonon spectrum. The EPI integral parameter has been determined in the free electron model.

  14. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico


    Single-Atom Nanoelectronics covers the fabrication of single-atom devices and related technology, as well as the relevant electronic equipment and the intriguing new phenomena related to single-atom and single-electron effects in quantum devices. It also covers the alternative approaches related to both silicon- and carbon-based technologies, also from the point of view of large-scale industrial production. The publication provides a comprehensive picture of the state of the art at the cutting edge and constitutes a milestone in the emerging field of beyond-CMOS technology. Although there are

  15. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W


    The fourth edition of Physics of the Atom is designed to meet the modern need for a better understanding of the atomic age. It is an introduction suitable for students with a background in university physics and mathematical competence at the level of calculus. This book is designed to be an extension of the introductory university physics course into the realm of atomic physics. It should give students a proficiency in this field comparable to their proficiency in mechanics, heat, sound, light, and electricity.

  16. Hierarchical resolution of power spectra (United States)

    Badii, R.; Finardi, M.; Broggi, G.; Sepúlveda, M. A.


    We identify the basic ingredients determining the structure of the power spectra of non-linear dynamical systems in a hierarchical order of importance. The analysis, performed with the help of symbolic methods, shows that dynamical invariants such as topological and metric properties of the symbolic orbits explain the main qualitative features of the spectra, whereas the coordinate-dependent values of the observable itself represent a less relevant contribution. Consideration of simple dynamical models with increasing number of topological transition rules evidences the formation of coherent structures (peaks) and explains their position and size. By constructing the parse tree of the allowed symbolic itineraries, it is possible to estimate conditional probabilities by considering orbits belonging to adjacent tree levels. Accordingly, a Markov transition matrix is obtained for each level l and is used to generate signals with statistical properties which approximate those of the actual one increasingly better for l → ∞. A considerable improvement is achieved by recoding the original signal in terms of variable-length words and by re-applying the above procedure to the transformed signal, which is equivalent to a renormalization operation of the associated dynamical map. The accuracy of the estimates is directly related to the convergence of the scaling function for the conditional probabilities. Analytic results are presented for the simplest five Markov models arising from piecewise-linear, continuous, one-dimensional maps. Numerical studies have been performed for the logistic and Hénon maps and for the Lorenz system.

  17. Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra (United States)

    Rueda, Ana; Hegermiller, Christie A.; Antolinez, Jose A. A.; Camus, Paula; Vitousek, Sean; Ruggiero, Peter; Barnard, Patrick L.; Erikson, Li H.; Tomás, Antonio; Mendez, Fernando J.


    Characterization of multimodal directional wave spectra is important for many offshore and coastal applications, such as marine forecasting, coastal hazard assessment, and design of offshore wave energy farms and coastal structures. However, the multivariate and multiscale nature of wave climate variability makes this complex problem tractable using computationally expensive numerical models. So far, the skill of statistical-downscaling model-based parametric (unimodal) wave conditions is limited in large ocean basins such as the Pacific. The recent availability of long-term directional spectral data from buoys and wave hindcast models allows for development of stochastic models that include multimodal sea-state parameters. This work introduces a statistical downscaling framework based on weather types to predict multimodal wave spectra (e.g., significant wave height, mean wave period, and mean wave direction from different storm systems, including sea and swells) from large-scale atmospheric pressure fields. For each weather type, variables of interest are modeled using the categorical distribution for the sea-state type, the Generalized Extreme Value (GEV) distribution for wave height and wave period, a multivariate Gaussian copula for the interdependence between variables, and a Markov chain model for the chronology of daily weather types. We apply the model to the southern California coast, where local seas and swells from both the Northern and Southern Hemispheres contribute to the multimodal wave spectrum. This work allows attribution of particular extreme multimodal wave events to specific atmospheric conditions, expanding knowledge of time-dependent, climate-driven offshore and coastal sea-state conditions that have a significant influence on local nearshore processes, coastal morphology, and flood hazards.

  18. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)



    The Gordon Research Conference (GRC) on Atomic & Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  19. The Casimir atomic pendulum

    Energy Technology Data Exchange (ETDEWEB)

    Razmi, H. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail:; Abdollahi, M. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail:


    We want to introduce an atomic pendulum whose driving force (torque) is due to the quantum vacuum fluctuations. Applying the well-known Casimir-Polder effect to a special configuration (a combined structure of an atomic nanostring and a conducting plate), an atomic pendulum (Casimir atomic pendulum) is designed. Using practically acceptable data corresponding to the already known world of nanotechnology and based on reasonable/reliable numerical estimates, the period of oscillation for the pendulum is computed. This pendulum can be considered as both a new micro(nano)-electromechanical system and a new simple vacuum machine. Its design may be considered as a first step towards realizing the visualized vacuum (Casimir) clock{exclamation_point}.

  20. The Casimir atomic pendulum (United States)

    Razmi, H.; Abdollahi, M.


    We want to introduce an atomic pendulum whose driving force (torque) is due to the quantum vacuum fluctuations. Applying the well-known Casimir-Polder effect to a special configuration (a combined structure of an atomic nanostring and a conducting plate), an atomic pendulum (Casimir atomic pendulum) is designed. Using practically acceptable data corresponding to the already known world of nanotechnology and based on reasonable/reliable numerical estimates, the period of oscillation for the pendulum is computed. This pendulum can be considered as both a new micro(nano)-electromechanical system and a new simple vacuum machine. Its design may be considered as a first step towards realizing the visualized vacuum (Casimir) clock!

  1. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  2. Dalton's Atomic Theory

    National Research Council Canada - National Science Library



    WITH reference to the communications from the authors and from the reviewer of the "New View of the Origin of Dalton's Atomic Theory," published in NATURE for May 14, I beg leave to offer the following remarks...

  3. Atomic Interferometry Project (United States)

    National Aeronautics and Space Administration — Vertical cavity surface emitting lasers (VCSELs) is a new technology which can be used for developing high performance laser components for atom-based sensors...

  4. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E


    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  5. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.


    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)

  6. Scikit-spectra: Explorative Spectroscopy in Python

    Directory of Open Access Journals (Sweden)

    Adam Hughes


    Full Text Available Scikit-spectra is an intuitive framework for explorative spectroscopy in Python. Scikit-spectra leverages the Pandas library for powerful data processing to provide datastructures and an API designed for spectroscopy. Utilizing the new IPython Notebook widget system, scikit-spectra is headed towards a GUI when you want it, API when you need it approach to spectral analysis. As an application, analysis is presented of the surface-plasmon resonance shift in a solution of gold nanoparticles induced by proteins binding to the gold’s surface. Please refer to the scikit-spectra website for full documentation and support:

  7. Atomic Clocks Research - An Overview. (United States)


    magnet. Since atomic deflection in an inhomogeneous magnetic field is inversely proportional to the square of the atomic speed, the atomic velocity...purifier and controlled leak; an atomic source (i.e., the dissociator under 39 study); a dipole electromagnetic with pole pieces shaped to produce an...34Relaxation Magnetique d’Atomes de Rubidium sur des Parois Paraffines," J. Phys. (Paris) 24, 379 (1963). 21. S. Wexler, "Deposition of Atomic Beams

  8. Wave Atom Based Watermarking


    Bukhari, Ijaz; Nuhman-ul-Haq; Hyat, Khizar


    Watermarking helps in ensuring originality, ownership and copyrights of a digital image. This paper aims at embedding a Watermark in an image using Wave Atom Transform. Preference of Wave Atoms on other transformations has been due to its sparser expansion, adaptability to the direction of local pattern, and sharp frequency localization. In this scheme, we had tried to spread the watermark in an image so that the information at one place is very small and undetectable. In order to extract the...

  9. Hirshfeld atom refinement. (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan


    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  10. Atoms, molecules & elements

    CERN Document Server

    Graybill, George


    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  11. Atomic Bomb Health Benefits


    Luckey, T. D.


    Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation,...

  12. Atomic interferometry; Interferometrie atomique

    Energy Technology Data Exchange (ETDEWEB)

    Baudon, J.; Robert, J. [Paris-13 Univ., 93 - Saint-Denis (France)


    Since the theoretical works of L. De Broglie (1924) and the famous experiment of Davisson and Germer (1927), we know that a wave is linked with any particle of mass m by the relation {lambda} = h/(mv), where {lambda} is the wavelength, v the particle velocity and h is the Planck constant. The basic principle of the interferometry of any material particle, atom, molecule or aggregate is simple: using a simple incident wave, several mutually consistent waves (with well-defined relative phases) are generated and controllable phase-shifts are introduced between them in order to generate a wave which is the sum of the previous waves. An interference figure is obtained which consists in a succession of dark and bright fringes. The atomic interferometry is based on the same principle but involves different techniques, different wave equations, but also different beams, sources and correlations which are described in this book. Because of the small possible wavelengths and the wide range of possible atomic interactions, atomic interferometers can be used in many domains from the sub-micron lithography to the construction of sensors like: inertial sensors, gravity-meters, accelerometers, gyro-meters etc. The first chapter is a preliminary study of the space and time diffraction of atoms. The next chapters is devoted to the description of slit, light separation and polarization interferometers, and the last chapter treats of the properties of Bose-Einstein condensates which are interesting in atomic interferometry. (J.S.)

  13. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

    Ichimaru, M.; Tomonaga, M.; Amenomori, T.; Matsuo, T. (Nagasaki Univ. (Japan). School of Medicine)


    Characteristic features of the leukemia among atomic bomb survivors were studied. Dose estimates of atomic bomb radiation were based on T65D, but the new dosimetry system DS86 was used for some analyses. The ratio of a single leukemia type to all leukemias was highest for chronic myelogenous leukemia (CML) in Hiroshima, and the occurrence of CML was thought to be most characteristic to atomic bomb radiation induced leukemia. The threshold of CML occurrence in Hiroshima is likely to be between 0.5{approx}0.09 Gy. However, the threshold of acute leukemia appears to be nearly 1 Gy. In the distribution of acute myeloid leukemia (AML) subtypes by French-American-British classification, there was no M3 case in 1 Gy or more group, although several atypical AML cases of survivors were observed. Although aplastic anemia has not increased as a late effect of the atomic bomb radiation exposure, many atypical leukemia or other myeloproliferative diseases who had been diagnosed as aplastic anemia or its related diseases have been experienced among atomic bomb survivors. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral T-cells in several atomic bomb survivors. (author).

  14. Field-dependent atomic relaxation in a squeezed vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Hassan, S S [Department of Mathematics, College of Science, University of Bahrain, PO Box 32038 (Bahrain); Jarad, T M [UMIST, Department of Mathematics, PO Box 88, Manchester M60 1QD (United Kingdom); Puri, R R [Bhabha Atomic Research Centre, Theoretical Physics Division, Bombay 400085 (India); Bullough, R K [UMIST, Department of Mathematics, PO Box 88, Manchester M60 1QD (United Kingdom)


    The relaxation process of a single two-level atom driven by an intense resonant coherent field is studied in the presence of a broadband squeezed vacuum field. Generalized forms for the self-field operator and the field-dependent damping coefficients are derived. In the steady state, positive atomic inversion ({approx}5%) is shown for some range of the phase of the squeezed vacuum field. The squeezing-induced enhanced and asymmetric coherence (i.e. non-zero dispersive atomic polarization) induces profound asymmetry in the side-bands of the Mollow fluorescent spectrum and the absorptive-dispersive spectra near the Rabi side-band frequencies. The case of two and three cooperative atoms, instead of a single atom, shows (i) positive atomic inversion in the steady state for larger interval of the squeeze phase parameter and more enhanced extrema for the atomic polarization components and (ii) the extra side peaks in the fluorescent spectrum become asymmetric and of dispersive-like profile. Dressed-state analysis in the single-atom case with the field-dependent decay process in the presence of the squeezed vacuum field is presented and shows that the inequality of the (field-dependent) decay rates of the dressed states leads to more positive inversion in the dressed states as compared with the normal vacuum case.

  15. Field-dependent atomic relaxation in a squeezed vacuum (United States)

    Hassan, S. S.; Jarad, T. M.; Puri, R. R.; Bullough, R. K.


    The relaxation process of a single two-level atom driven by an intense resonant coherent field is studied in the presence of a broadband squeezed vacuum field. Generalized forms for the self-field operator and the field-dependent damping coefficients are derived. In the steady state, positive atomic inversion (~5%) is shown for some range of the phase of the squeezed vacuum field. The squeezing-induced enhanced and asymmetric coherence (i.e. non-zero dispersive atomic polarization) induces profound asymmetry in the side-bands of the Mollow fluorescent spectrum and the absorptive-dispersive spectra near the Rabi side-band frequencies. The case of two and three cooperative atoms, instead of a single atom, shows (i) positive atomic inversion in the steady state for larger interval of the squeeze phase parameter and more enhanced extrema for the atomic polarization components and (ii) the extra side peaks in the fluorescent spectrum become asymmetric and of dispersive-like profile. Dressed-state analysis in the single-atom case with the field-dependent decay process in the presence of the squeezed vacuum field is presented and shows that the inequality of the (field-dependent) decay rates of the dressed states leads to more positive inversion in the dressed states as compared with the normal vacuum case.

  16. Double photo-electron momentum spectra of Helium at infrared wavelength

    CERN Document Server

    Zielinski, Alejandro; Scrinzi, Armin


    Double photo-electron momentum spectra of the Helium atom are calculated \\textit{ab initio} at extreme ultra-violet and near infrared wavelengths. At short wavelengths two-photon double ionization yields, two-electron energy spectra, and triply differential cross sections agree with results from recent literature. At the near infrared wavelength of $780\\,nm$ the experimental single-to-double ionization ratio is reproduced up to intensities of $4\\times 10^{14}W/cm^2$, and two-electron energy spectra and joint angular distributions are presented. The time-dependent surface flux (tSurff) approach is extended to full 3+3 spatial dimensions and systematic error control is demonstrated. We analyze our differential spectra in terms of an experimentally accessible quantitative measure of correlation.

  17. Reflectance spectra of primitive chondrites (United States)

    Trigo-Rodríguez, J. M.; Moyano-Cambero, C. E.; Llorca, J.


    We are studying a wide sample of pristine carbonaceous chondrites from the NASA Antarctic collection in order to get clues on the physico-chemical processes occurred in the parent bodies of these meteorites. We are obtaining laboratory reflectance spectra of different groups of carbonaceous chondrites, but here we focus in CM and CI chondrites. We discuss the main spectral features that can be used to identify primitive carbonaceous asteroids by remote sensing techniques. Two different spectrometers were used covering the entire 0.3 to 30 μm electromagnetic window. Only a handful of Near Earth Objects (NEOs) exhibit bands or features clearly associated with aqueous alteration. Among them are the target asteroids of Osiris Rex and Marco Polo-R missions.

  18. Graviton spectra in string cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Galluccio, Massimo [Osservatorio Astronomico di Roma (Roma-IT); Litterio, Marco [Istituto Astronomico dell' Universita (Roma-IT); Occhionero, Franco [Osservatorio Astronomico di Roma (Roma-IT)


    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an ω³ increase and initiates an ω⁻⁷ decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre-Big Bang) and the expanding inflationary era (or post-Big Bang). We evaluate both analytically and numerically the frequency and the intensity of the peak and we show that they may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak is at variance with ordinarily monotonic (either increasing or decreasing) graviton spectra of canonical cosmologies; its detection would therefore offer strong support to string cosmology.

  19. Irradiation effect on infrared spectra of LiF:OH crystals: Theoretical modeling (United States)

    Inerbaev, Talgat; Dauletbekova, Alma; Abdrakhmetova, Ainash


    First-principles simulations of LiF:OH crystal infrared absorption spectra were performed using density functional calculations with periodic boundary conditions to explain the yet unclear nature of experimentally observed irradiation-induced absorption bands in infrared spectra in frequency range 1900-2200 and 1000-1300 cm-1. To model the irradiation effect, various defect structures were explored. Simulations demonstrated that a new type of defect should be taken into consideration to explain the infrared spectra features. Specific new defect is formed by one fluorine atom displaced from the lattice site into the interstitial position due to irradiation. At the same time, hydrogen atom, produced by of hydroxyl group radiolysis decay, occupies position between fluorine atoms in anionic (Fa) and interstitial (Fi) positions forming covalently bonded negatively charged defect, referred to as F-H-F complex. Asymmetrical stretching oscillation of this defect complex is responsible for infrared absorption band near 2200 cm-1. Features in the infrared spectra observed near 1000 cm-1 originate from two types of vibrations: bending vibrations of proposed new defect complex and oscillations of hydrogen ions in the anionic positions. Defect formed by negatively charged hydrogen ion in interstitial position results infrared absorption band at 1288 cm-1. The experimentally observed decrease of the oscillation frequency near 2200 cm-1 under further irradiation is associated with increase of negative charge value on the proposed defect complex caused by F-centers creation.

  20. Universal bosonic tetramers of dimer-atom-atom structure


    Deltuva, A.


    Unstable four-boson states having an approximate dimer-atom-atom structure are studied using momentum-space integral equations for the four-particle transition operators. For a given Efimov trimer the universal properties of the lowest associated tetramer are determined. The impact of this tetramer on the atom-trimer and dimer-dimer collisions is analyzed. The reliability of the three-body dimer-atom-atom model is studied.

  1. Sampling the Hydrogen Atom

    Directory of Open Access Journals (Sweden)

    Graves N.


    Full Text Available A model is proposed for the hydrogen atom in which the electron is an objectively real particle orbiting at very near to light speed. The model is based on the postulate that certain velocity terms associated with orbiting bodies can be considered as being af- fected by relativity. This leads to a model for the atom in which the stable electron orbits are associated with orbital velocities where Gamma is n /α , leading to the idea that it is Gamma that is quantized and not angular momentum as in the Bohr and other models. The model provides a mechanism which leads to quantization of energy levels within the atom and also provides a simple mechanical explanation for the Fine Struc- ture Constant. The mechanism is closely associated with the Sampling theorem and the related phenomenon of aliasing developed in the mid-20th century by engineers at Bell labs.

  2. Pump-probe and Four-wave Mixing Spectra Arising from Recoil-induced Resonance in an Operating Cesium Magneto-Optical Trap (United States)

    Ji, Zhonghua; Zhang, Hongshan; Su, Dianqiang; Zhao, Yanting; Xiao, Liantuan; Jia, Suotang


    We present experimental observation of recoil-induced resonance (RIR) in an operating cesium magneto-optical trap (MOT) by both pump-probe absorption and four-wave mixing spectra simultaneously. We investigate the dependence of amplitudes of these two spectra on pump beam intensity and frequency. The measurement results agree well with the recoil-induced theory with modifications of Raman transition effect and atomic number. The systematical study on RIR spectra is meaningful for the diagnostic measurement of cold atoms in an operating MOT.

  3. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL


    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  4. Calculation of reactor antineutrino spectra in TEXONO

    CERN Document Server

    Chen Dong Liang; Mao Ze Pu; Wong, T H


    In the low energy reactor antineutrino physics experiments, either for the researches of antineutrino oscillation and antineutrino reactions, or for the measurement of abnormal magnetic moment of antineutrino, the flux and the spectra of reactor antineutrino must be described accurately. The method of calculation of reactor antineutrino spectra was discussed in detail. Furthermore, based on the actual circumstances of NP2 reactors and the arrangement of detectors, the flux and the spectra of reactor antineutrino in TEXONO were worked out

  5. High-accuracy coupled cluster calculations of atomic properties

    Energy Technology Data Exchange (ETDEWEB)

    Borschevsky, A. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel and Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0745 Auckland (New Zealand); Yakobi, H.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)


    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  6. Atomic Force Microscope

    Energy Technology Data Exchange (ETDEWEB)

    Day, R.D.; Russell, P.E.


    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  7. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli


    Full Text Available Hirshfeld atom refinement (HAR is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's, all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules, the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  8. Optically pumped atoms

    CERN Document Server

    Happer, William; Walker, Thad


    Covering the most important knowledge on optical pumping of atoms, this ready reference is backed by numerous examples of modelling computation for optical pumped systems. The authors show for the first time that modern scientific computing software makes it practical to analyze the full, multilevel system of optically pumped atoms. To make the discussion less abstract, the authors have illustrated key points with sections of MATLAB codes. To make most effective use of contemporary mathematical software, it is especially useful to analyze optical pumping situations in the Liouville spa

  9. Atoms in Agriculture

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, Thomas S. [University of Tennessee


    Agriculture benefits from the applications of research. Radioactive techniques have been used to study soils, plants, microbes, insects, farm animals, and new ways to use and preserve foodstuffs. Radioactive atoms are not used directly by farmers but are used in research directed by the U. S. Department of Agriculture and Atomic Energy Commission, by the agricultural experiment stations of the various states, and by numerous public and private research institutions. From such research come improved materials and methods which are used on the farm.

  10. From Atoms to Solids (United States)


    Honea. M.L. Homer, J.L. Persson, R.L. Whetten , Chem. atoms Phys. Lett. 171 (1990) 147. [17] M.R. Hoare, Adv. Chem. Phys. 40 (1979) 49. Two types of...Persson, M.E. LaVilla, R.L. tal conditions, the clusters become rigid. Thereafter, Whetten , J. Phys. Chem. 93 (1989) 2869. each newly added atom condenses...106 (1981) 265. M. Broyer, Phys. Rev. A 39 (1989) 6056. [9] W. Ekardt, Ber. Bunsenges. Phys. Chem. 88 (1984) 289. [38] R.L. Whetten , private

  11. Korean atomic bomb victims. (United States)

    Sasamoto, Yukuo


    After colonizing Korea, Japan invaded China, and subsequently initiated the Pacific War against the United States, Britain, and their allies. Towards the end of the war, U.S. warplanes dropped atomic bombs on Hiroshima and Nagasaki, which resulted in a large number of Koreans who lived in Hiroshima and Nagasaki suffering from the effects of the bombs. The objective of this paper is to examine the history of Korea atomic bomb victims who were caught in between the U.S., Japan, the Republic of Korea (South Korea) and the Democratic People's Republic of Korea (North Korea).

  12. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

    Ichimaru, Michito; Tomonaga, Masao; Amenomori, Tatsuhiko; Matsuo, Tatsuki (Nagasaki Univ. (Japan). School of Medicine)


    Characteristic features of leukemia among atomic bomb survivors were studied. The ratio of a single leukemia type to all leukemias was highest for CML in Hiroshima, and the occurrence of CML was thought to be most characteristic for atomic bomb radiation induced leukemia. In the distribution of AML subtypes of FAB classification, there was no M3 cases in 1 Gy or more group, although several atypical AML cases of survivors were observed. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral blood of proximal survivors. (author).

  13. X-ray Signature of Charge Exchange in the Spectra of L-shell Iron Ions

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P; Schweikhard, L; Liebisch, P; Brown, G V


    The X-ray signature of charge exchange between highly charged L-shell iron ions and neutral gas atoms was studied in the laboratory in order to assess its diagnostic utility. Significant differences with spectra formed by electron-impact excitation were observed. In particular, a strong enhancement was found of the emission corresponding to n {le} 4 {yields} n = 2 transitions relative to the n = 3 {yields} n = 2 emission. This enhancement was detectable even with relatively low-resolution X-ray instrumentation (E/{Delta}E {approx} 10) and may enable future identification of charge exchange as a line-formation mechanism in astrophysical spectra.

  14. Atomic Data for the CHIANTI Database (United States)

    Bhatia, Anand K.; Landi, E.


    The CHIANTI spectral code consists of an atomic database and a suite of computer programs to calculate the optically thin spectrum of astrophysical objects and to carry out spectroscopic plasma diagnostics. The database includes atomic energy levels, wavelengths, radiative transition rates, collisional excitation, ionization and recombination rate coefficients, as well as data to calculate free-free, free-bound and two-photon continuum emission. In recent years, we have been pursuing a program to calculate atomic data for ions whose lines have been observed in astrophysical spectra but have been neglected in the literature, and to provide CHIANTI with all the data necessary to predict line intensities. There are two types of such ions: those for which calculations are available for low-energy configurations but not for high-energy configurations (i.e., C-like, N-like, O-like systems), and ions that have never or only seldom been studied. This poster will summarize the current status of this project and indicate the future activities .

  15. Resonance Fluorescence from an Artificial Atom in Squeezed Vacuum

    Directory of Open Access Journals (Sweden)

    D. M. Toyli


    Full Text Available We present an experimental realization of resonance fluorescence in squeezed vacuum. We strongly couple microwave-frequency squeezed light to a superconducting artificial atom and detect the resulting fluorescence with high resolution enabled by a broadband traveling-wave parametric amplifier. We investigate the fluorescence spectra in the weak and strong driving regimes, observing up to 3.1 dB of reduction of the fluorescence linewidth below the ordinary vacuum level and a dramatic dependence of the Mollow triplet spectrum on the relative phase of the driving and squeezed vacuum fields. Our results are in excellent agreement with predictions for spectra produced by a two-level atom in squeezed vacuum [Phys. Rev. Lett. 58, 2539 (1987], demonstrating that resonance fluorescence offers a resource-efficient means to characterize squeezing in cryogenic environments.

  16. Atomic Particle Detection

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal


    This booklet tells how scientists observe the particles and electromagnetic radiation that emerges from an atomic nucleus. The equipment used falls into two general categories: counters which count each particle as it passes by, and track detectors, which make a photographic record of the particle's track.

  17. Atomic physics and reality

    CERN Multimedia


    An account of the long standing debate between Niels Bohr and Albert Einstein regarding the validity of the quantum mechanical description of atomic phenomena.With physicts, John Wheeler (Texas), John Bell (CERN), David Rohm (London), Abner Shimony (Boston), Alain Aspect (Paris)

  18. Ludwig Boltzmann: Atomic genius

    Energy Technology Data Exchange (ETDEWEB)

    Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail:


    On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)

  19. Atomic Force Microscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Atomic Force Microscopy - A Tool to Unveil the Mystery of Biological Systems ... Transcription and Disease Laboratory, Molecular Biology and Genetics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 ...

  20. Observational Evidence for Atoms. (United States)

    Jones, Edwin R., Jr.; Childers, Richard L.


    Discusses the development of the concept of atomicity and some of the many which can be used to establish its validity. Chemical evidence, evidence from crystals, Faraday's law of electrolysis, and Avogadro's number are among the areas which show how the concept originally developed from a purely philosophical idea. (JN)

  1. Atomic resolution imaging and spectroscopy of barium atoms and functional groups on graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Boothroyd, C.B., E-mail: [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Moreno, M.S. [Centro Atómico Bariloche, 8400 – San Carlos de Bariloche (Argentina); Duchamp, M.; Kovács, A. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Monge, N.; Morales, G.M.; Barbero, C.A. [Department of Chemistry, Universidad Nacional de Río Cuarto, X5804BYA Río Cuarto (Argentina); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany)


    We present an atomic resolution transmission electron microscopy (TEM) and scanning TEM (STEM) study of the local structure and composition of graphene oxide modified with Ba{sup 2+}. In our experiments, which are carried out at 80 kV, the acquisition of contamination-free high-resolution STEM images is only possible while heating the sample above 400 °C using a highly stable heating holder. Ba atoms are identified spectroscopically in electron energy-loss spectrum images taken at 800 °C and are associated with bright contrast in high-angle annular dark-field STEM images. The spectrum images also show that Ca and O occur together and that Ba is not associated with a significant concentration of O. The electron dose used for spectrum imaging results in beam damage to the specimen, even at elevated temperature. It is also possible to identify Ba atoms in high-resolution TEM images acquired using shorter exposure times at room temperature, thereby allowing the structure of graphene oxide to be studied using complementary TEM and STEM techniques over a wide range of temperatures. - Highlights: • Graphene oxide modified with Ba{sup 2+} was imaged using TEM and STEM at 80 kV. • High-resolution images and spectra were obtained only by heating above 400 °C. • Elemental maps show the distribution of C, Ba, O and Ca on the graphene oxide. • Single Ba atoms were identified in STEM HAADF and HRTEM images.

  2. Fast ion atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Berry, H.G.; Young, L.; Goodman, L.S.; Somerville, L.P.; Hardis, J.; Neek, D.


    We have set up two collinear fast beam/laser excitation systems, one at the Argonne Dynamitron Accelerator (0.5 to 5.0 MeV beam energy) and another at a small electrostatic accelerator (20 to 130 keV). Our objective is to study fine structure, hyperfine structure and QED effects in ions of a few electrons. Initial projects underway include studies of multi-excited transitions in Li/sup -/ and Li/sup 0/, and transitions to high Rydberg states in H/sup 0/ and He/sup 0/. We have simultaneously excited a sodium jet with a laser at the resonance wavelength (D/sub 1/ or D/sub 2/ lines) and a 1-MeV He/sup +/ beam to produce excitation to autoionizing Na and Na/sup +/ states. The Auger electron spectra are compared to spectra obtained without laser excitation, and indicate strong variations in final state populations. 17 references.

  3. Diagnosing the accretion flow in ultraluminous X-ray sources using soft X-ray atomic features

    NARCIS (Netherlands)

    Middleton, M.J.; Walton, D.J.; Fabian, A.; Roberts, T.P.; Heil, L.; Pinto, C.; Anderson, G.; Sutton, A.


    The lack of unambiguous detections of atomic features in the X-ray spectra of ultraluminous X-ray sources (ULXs) has proven a hindrance in diagnosing the nature of the accretion flow. The possible association of spectral residuals at soft energies with atomic features seen in absorption and/or

  4. Atomic photoelectron-spectroscopy studies using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Kobrin, P.H.


    Photoelectron spectroscopy combined with tunable synchrotron radiation has been used to study the photoionization process in several atomic systems. The time structure of the synchrotron radiation source at the Stanford Synchrotron Radiation Laboratory (SSRL) was used to record time-of-flight (TOF) photoelectron spectra of gaseous Cd, Hg, Ne, Ar, Ba, and Mn. The use of two TOF analyzers made possible the measurement of photoelectron angular distributions as well as branching ratios and partial cross sections.

  5. Coherently controlling Raman-induced grating in atomic media


    Arkhipkin, V. G.; Myslivets, S. A.; Timofeev, I. V.


    We consider dynamically controllable periodic structures, called Raman induced gratings, in three- and four-level atomic media, resulting from Raman interaction in a standing-wave pump. These gratings are due to periodic spatial modulation of the Raman nonlinearity and fundamentally differ from the ones based on electromagnetically induced transparency. The transmission and reflection spectra of such gratings can be simultaneously amplified and controlled by varying the pump field intensity. ...



    position above the surface of the alligator PCW. Our calculations and measurements of Γ1D agree with COMSOL simulations (38) of the trap position, and...Version 8.12. fdtd/. 38. COMSOL Inc. (2009) COMSOL Multiphysics ( COMSOL AB, Stockholm), Version 3.5a. 39...for the infinite structure with COMSOL . The trap depth is calibrated with the 12-MHz AC Stark shift measured from the atomic spectra. Fig. S5B shows

  7. Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

    DEFF Research Database (Denmark)

    de Oteyza, D. G.; Sakko, A.; El-Sayed, A.


    orbitals with significant density of states on the fluorine atoms show different symmetry from those mainly located on C and N atoms. As a result, the angle-dependent linear dichroism in NEXAFS F K-edge spectra is inversed with respect to that in the C and N K-edges. In addition, the significant overlap...... in energy of π* and σ* orbitals throughout the F K-edge spectrum hampers its use for analysis of molecular orientations from angle-dependent NEXAFS measurements....

  8. Mass Spectra of Tetraselenafulvalenes, Diselenadithiafulvalenes and Tetrathiafulvalenes

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Egsgaard, Helge; Larsen, Elfinn


    The mass spectra of 13 heterofulvalenes are reported. The spectra show great similarities within the selenium and within the sulphur series. The main difference between the selenium and the sulphur compounds results from the more facile loss of selenium compared with sulphur, and from the first...

  9. Spectra of Velocity components over Complex Terrain

    DEFF Research Database (Denmark)

    Panofsky, H. A.; Larko, D.; Lipschut, R.


    Spectra have been measured over a variety of types of complex terrain: on tops of hills and escarpments, over land downstream of a water surface, and over rolling terrain. Differences between spectra over many types of complex terrain, and over uniform terrain, can be explained by these hypotheses...

  10. Resolution enhancement in second-derivative spectra. (United States)

    Czarnecki, Mirosław A


    Derivative spectroscopy is a powerful tool for the resolution enhancement in infrared, near-infrared, Raman, ultraviolet-visible, nuclear magnetic resonance, electron paramagnetic resonance, and fluorescence spectroscopy. Despite its great significance in analytical chemistry, not all aspects of the applications of this method have been explored as yet. This is the first systematic study of the parameters that influence the resolution enhancement in the second derivative spectra. The derivative spectra were calculated with the Savitzky-Golay method with different window size (5, 15, 25) and polynomial order (2, 4). The results obtained in this work show that the resolution enhancement in the second derivative spectra strongly depends on the data spacing in the original spectra, window size, polynomial order, and peak profile. As shown, the resolution enhancement is related to variations in the width of the peaks upon the differentiation. The present study reveals that in order to maximize the separation of the peaks in the second derivative spectra, the original spectra should be recorded at high resolution and differentiated using a small window size and high polynomial order. However, working with the real spectra one has to compromise between the noise reduction and optimization of the resolution enhancement in the second derivative spectra.

  11. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.


    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  12. Decomposition of spectra using maximum autocorrelation factors

    DEFF Research Database (Denmark)

    Larsen, Rasmus


    This paper addresses the problem of generating a low dimensional representation of the variation present in a set of spectra, e.g. reflection spectra recorded from a series of objects. The resulting low dimensional description may subseque ntly be input through variable selection schemes into cla......This paper addresses the problem of generating a low dimensional representation of the variation present in a set of spectra, e.g. reflection spectra recorded from a series of objects. The resulting low dimensional description may subseque ntly be input through variable selection schemes...... Fourier decomposition these new variables are located in frequency as well as well wavelength. The proposed algorithm is tested on 100 samples of NIR spectra of wheat....

  13. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky


    Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

  14. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.


    The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground......-stale configuration predominantly present in the laboratory beams based on a direct comparison between the calculated photoabsorptiou response for the Ag-11 isomers and the measured spectra of medium-size silver clusters trapped in noble gas Ar and Ne matrices at different, temperatures. This assignment is confirmed...

  15. Modelling the Energetics of Encapsulation of Atoms and Atomic ...

    Indian Academy of Sciences (India)



    Jul 4, 2015 ... Modelling the Energetics of Encapsulation of. Atoms and Atomic Clusters into Carbon. Nanotubes: Insights from Analytical Approaches. R. S. Swathi. School of Chemistry. Indian Institute of Science Education and Research. Thiruvananthapuram, Kerala, India ...

  16. Role of atoms in atomic gravitational-wave detectors (United States)

    Norcia, Matthew A.; Cline, Julia R. K.; Thompson, James K.


    Recently, it has been proposed that space-based atomic sensors may be used to detect gravitational waves. These proposals describe the sensors either as clocks or as atom interferometers. Here, we seek to explore the fundamental similarities and differences between the two types of proposals. We present a framework in which the fundamental mechanism for sensitivity is identical for clock and atom interferometer proposals, with the key difference being whether or not the atoms are tightly confined by an external potential. With this interpretation in mind, we propose two major enhancements to detectors using confined atoms, which allow for an enhanced sensitivity analogous to large momentum transfer used in atom interferometry (though with no transfer of momentum to the atoms), and a way to extend the useful coherence time of the sensor beyond the atom's excited-state lifetime.

  17. Raman Optical Activity and Raman Spectra of Amphetamine Species

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Shim, Irene; White, Peter Cyril


    Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT......-molecular orbital calculations by use of the Gaussian 03W pro- gram, based on complete geometry minimizations of the conformational energy of the S-(+)-amphetamine molecule, the S-(+)-amphetamine-H+ ion, and the R-(–)-amphetamine molecule. Following this, harmonic frequency calculations have been made, providing...... are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enanti- omer has a considerable influence on the Raman...

  18. Quasiclassical analysis of spectra in two groups of central potentials

    CERN Document Server

    Shpatakovskaya, G V


    The method for the spectra analysis in the gravitational central potentials with the Coulomb feature in the zero (interatomic potentials) and the finite ones in the zero (potentials in the spheric clusters nuclei) is proposed. It is shown that by the degeneration removal by the orbital quantum number for the n-shell by small l the difference epsilon sub n sub l - epsilon sub n sub 0 approx = a subepsilon sub sub n sub sub 0 (l + 1/2) sup 2. The correctness of the presented formula for the internal electrons is demonstrated by the mercury atoms spectrum calculations. The reverse dependence takes place, as a rule, in the cluster potentials. The dependence of the area position with the degenerated level on the N cluster size is analyzed by the example of the Al sub N aluminium clusters. It is known that the increase in the N leads to the pressing-out of this area upwards

  19. Geometry, chemical reactivity and Raman spectra of gold clusters

    Directory of Open Access Journals (Sweden)

    Ngangbam Bedamani Singh


    Full Text Available Structures, stability, and chemical reactivity of Aun (n = 2-10 clusters are investigated using density functional theory (DFT. We have studied the reactivity parameters of the clusters in terms of relevant electronic structure principles. It is observed that stability and properties are strongly dependent on the cluster size. Clusters with an even number of atoms are found to be energetically and chemically more stable than odd-numbered clusters. Electronic structure of clusters has been investigated using partial density of states (PDOS. PDOS analysis clearly shows that energy states of highest occupied molecular orbital and lowest unoccupied molecular orbital are predominantly contributed by s orbital. From time-dependent DFT calculations, it is shown that absorption spectra of even-numbered clusters are more intense and are observed at lower wavelength region than the odd-sized gold clusters.

  20. Moisture dependence of positron annihilation spectra in nylon-6 (United States)

    Singh, J. J.; St. Clair, T. L.; Holt, W. H.; Mock, W., Jr.


    Positron annihilation time spectra have been measured in nylon-6 samples as a function of their moisture content. The measured average long life component lifetime values are: 1722 + or - 47 ps (dry), 1676 + or - 40 ps (14.6 percent saturation value), 1719 + or - 26 ps (29.3 percent saturation value), 1720 + or - 35 ps (50 percent of saturation value), 1857 + or - 35 ps (78.1 percent saturation value), and 1936 + or - 57 ps (saturated). It appears that nylon-6 has a special affinity for water at low concentration levels where H2O molecules enter between the (C = O - H-N) chemical bonds between nylon molecular chains. As the water concentration increases beyond a critical level, nylon-6 specimens start trapping H2O molecules in other bond sites or potential wells. The trapped water increases the free volume in the test specimens and reduces Ps atom formation as well as its subsequent decay rate.

  1. Fractals and spectra related to fourier analysis and function spaces

    CERN Document Server

    Triebel, Hans


    Fractals and Spectra Hans Triebel This book deals with the symbiotic relationship between the theory of function spaces, fractal geometry, and spectral theory of (fractal) pseudodifferential operators as it has emerged quite recently. Atomic and quarkonial (subatomic) decompositions in scalar and vector valued function spaces on the euclidean n-space pave the way to study properties (compact embeddings, entropy numbers) of function spaces on and of fractals. On this basis, distributions of eigenvalues of fractal (pseudo)differential operators are investigated. Diverse versions of fractal drums are played. The book is directed to mathematicians interested in functional analysis, the theory of function spaces, fractal geometry, partial and pseudodifferential operators, and, in particular, in how these domains are interrelated. ------ It is worth mentioning that there is virtually no literature on this topic and hence the most of the presented material is published here the first time. - Zentralblatt MATH (…) ...

  2. Absorption imaging of ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Smith, David A.; Aigner, Simon; Hofferberth, Sebastian


    Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is purposely reflected from the surface. In particular we present...... methods to measure the atom-surface distance, which is a prerequisite for magnetic field imaging and studies of atom surface-interactions....

  3. Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry. (United States)

    Horlick, Gary


    This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

  4. Cavity enhanced atomic magnetometry. (United States)

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer


    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  5. Cavity enhanced atomic magnetometry

    CERN Document Server

    Crepaz, Herbert; Dumke, Rainer


    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  6. Atomes et rayonnement


    Dalibard, Jean; Haroche, Serge


    Matière et lumière sont intimement liées dans notre modélisation du monde physique. De l’élaboration de la théorie quantique à l’invention du laser, l’interaction entre atomes et rayonnement a joué un rôle central dans le développement de la science et de la technologie d’aujourd’hui. La maîtrise de cette interaction permet désormais d’atteindre les plus basses températures jamais mesurées. Le refroidissement de gaz d’atomes par la lumière d’un laser conduit à une « matière quantique » aux pr...

  7. Atomic emission spectroscopy (United States)

    Andrew, K. H.


    The relationship between the Slater-Condon theory and the conditions within the atom as revealed by experimental data was investigated. The first spectrum of Si, Rb, Cl, Br, I, Ne, Ar, and Xe-136 and the second spectrum of As, Cu, and P were determined. Methods for assessing the phase stability of fringe counting interferometers and the design of an autoranging scanning system for digitizing the output of an infrared spectrometer and recording it on magnetic tape are described.

  8. Navigation with Atom Interferometers (United States)


    stability of the design and will be measured at a future time. Angle random walk can be calculated from first principles from the shot-noise limited...interferometer cannot distinguish between the two sources of phase shifts. We describe a design for a dual atom interferometer to simultaneously...stability. This paper is organized as follows: we first describe the basic building blocks of the interferometer: beam splitters and mirrors. We then

  9. Understanding single-color multiphoton ionization spectra by pump--probe technique

    Energy Technology Data Exchange (ETDEWEB)

    Dasgupta, K.; Manohar, K.G.; Bajaj, P.N.; Suri, B.M.; Talukdar, R.K.; Chakraborti, P.K.; Rao, P.R.K.


    A simple but elegant spectroscopic technique using two narrow-band dye lasers has been demonstrated for analyzing single-color resonant multi-photon-ionization spectra of atoms. This technique provides a direct identification of the starting level of the multi-photon-ionization pathway. This method can also be used to determine intermediate levels, which play an important role in the ionization process. Some typical results for uranium are presented.

  10. Probing symmetry and symmetry breaking in resonant soft-x-ray fluorescence spectra of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Glans, P.; Gunnelin, K.; Guo, J. [Uppsala Univ. (Sweden)] [and others


    Conventional non-resonant soft X-ray emission brings about information about electronic structure through its symmetry and polarization selectivity, the character of which is governed by simple dipole rules. For centro-symmetric molecules with the emitting atom at the inversion center these rules lead to selective emission through the required parity change. For the more common classes of molecules which have lower symmetry or for systems with degenerate core orbitals (delocalized over identical sites), it is merely the local symmetry selectivity that provides a probe of the local atomic orbital contribution to the molecular orbital. For instance, in X-ray spectra of first row species the intensities essentially map the p-density at each particular atomic site, and, in a molecular orbital picture, the contribution of the local p-type atomic orbitals in the LCAO description of the molecular orbitals. The situation is different for resonant X-ray fluorescence spectra. Here strict parity and symmetry selectivity gives rise to a strong frequency dependence for all molecules with an element of symmetry. In addition to symmetry selectivity the strong frequency dependence of resonant X-ray emission is caused by the interplay between the shape of a narrow X-ray excitation energy function and the lifetime and vibrational broadenings of the resonantly excited core states. This interplay leads to various observable effects, such as linear dispersion, resonance narrowing and emission line (Stokes) doubling. Also from the point of view of polarization selectivity, the resonantly excited X-ray spectra are much more informative than the corresponding non-resonant spectra. Examples are presented for nitrogen, oxygen, and carbon dioxide molecules.

  11. Into the atom and beyond

    CERN Document Server


    Magnifying an atom to football pitch size. The dense nucleus, carrying almost all the atomic mass, is much smaller than the ball. The players (the electrons) would see something about the size of a marble!

  12. Regularity and Chaos in the Hydrogen Atom Highly Excited with a Strong Magnetic Field

    Directory of Open Access Journals (Sweden)

    M. Amdouni


    Full Text Available The effects of the relativistic corrections on the energy spectra are analyzed. Effective simulations based on manipulations of operators in the Sturmian basis are developed. Discrete and continuous energy spectra of a hydrogen atom with realistic nucleus mass in a strong magnetic field are computed. The transition from regularity to chaos in diamagnetic problem with the effect of the nucleus recoil energy is explored. Anticrossing of energy levels is observed for strong magnetic field.

  13. Infrared spectra and structure of lithium-neodymium double polyphosphate

    Energy Technology Data Exchange (ETDEWEB)

    Rodionov, M.K.; Evtushenko, N.P.; Rez, I.S.; Petrenko, V.I. (Kievskij Politekhnicheskij Inst. (Ukrainian SSR))


    Infrared absorption spectra of binary polyphosphate LiNdP/sub 4/O/sub 12/ are investigated with the aim of clarifying the local symmetry of a central atom, assignment of the spectral bands according to the vibration type and revealing impurity of water molecules in the crystal lattice. Polycrystalline samples in the form of pellets with KBr are used as well as suspensions in vaseline oil. The group-theoretical analysis of the LiNdP,L4O/sub 12/ spectra permitted to prove their multiplet nature and to assign the bands from the vibration forms. The multiplet character and contrast of lines give evidence of the presence of asymmetrical tetrahedrons (PO/sub 4/) in the lattice, their close packing and covalent nature of the cation-anion bonds. It is established that the used process of crystal synthesis (melting together lithium-, neodymium-, phosphorus oxides at the temperature of 950 deg) permits to avoid the incorporation into the lattice of OH-groups that negatively affect the duration of luminescent glow. The refraction index of monocrystals is determined, R=1.634+-0.002.

  14. LIME: Semiautomated line measurement and identification from stellar spectra (United States)

    Sahin, T.


    We present LIME (Line Measurements from ECHELLE Spectra), an IDL-based code, as a powerful tool for semiautomated stellar line measurement and identification. Interactively selected line positions (i.e. wavelengths) are compared with a master line list of the user's selections. Each unknown line that the user interactively chooses is displayed with potential identifications provided by the code in the vicinity of the selected line. The best identification is evaluated on the basis of several criteria (e.g., atomic/molecular line information, wavelength displacement, and theoretical equivalent width for solar atmospheric values). We examined the identifications by LIME in the spectra of post-red supergiant star HD 179821 over a range of signal-to-noise values and wavelength ranges. We found that the results obtained by LIME show virtually complete agreement with the manual identifications for which the conventional and also tedious approach is to use a revised multiplet table as an initial guide and perform a systematic search that makes use of the lower excitation potential and gf-values. Comparison to previous identifications for HD 179821 in the literature revealed not only lines that were unmeasurable and/or blended but also misidentifications. While a manual identification process takes a relatively longer time to be accomplished by an experienced spectroscopist, LIME can provide a rapid extraction of line information in a few hours with moderate user interaction.

  15. Rotational Spectra of Hydrogen Bonded Networks of Amino Alcohols (United States)

    Zhang, Di; Zwier, Timothy S.


    The rotational spectra of several different amino alcohols including D/L-allo-threoninol, 2-amino-1,3-propanediol and 1,3-diamino-2-propanol over the 6.5-18.5 GHz range have been investigated under jet-cooled conditions using chirped-pulsed Fourier transform microwave spectroscopy. Despite the small size of these molecules, a great variety of conformations have been observed in the molecular expansion. While the NH2 group is typically thought of as a H-bond acceptor, it often acts both as acceptor and donor in forming H-bonded networks. With three adjacent H-bonding substituents (a combination of OH and NH2 groups), many different hydrogen bonding patterns are possible, including H-bonded chains and H-bonded cycles. Since many of these structures differ primarily by the relative orientation of the H-atoms, the analysis of these rotational spectra are challenging. Only through an exhaustive conformational search and the comparison with the experimental rotational constants, nuclear quadrupolar splittings, and line strengths are we able to understand the complex nature of these interactions. The ways in which the presence and number of NH2 groups affects the relative energies, and distorts the structures will be explored.

  16. Opacity spectra of silicon and carbon in ICF plasmas (United States)

    Benredjem, D.; Calisti, A.; Ferri, S.; Gilleron, F.; Mondet, G.; Pain, J.-C.


    The knowledge of opacity is very important when one investigates the radiative properties of ICF and astrophysical plasmas. Germanium and silicon are good candidates as dopants in the ablator of some ICF schemes (LMJ in France, NIF at Livermore). In this work we calculate the opacity spectra of silicon and carbon mixtures. Two competitive methods were used. The first one is based on a detailed line calculation in which the atomic database is provided by the MCDF code. A lineshape code based on a fast algorithm was then adapted to the calculation of opacity profiles. All major line broadening mechanisms, including Zeeman splitting and Stark effect, are taken into account. This approach provides accurate opacity spectra but becomes rapidly prohibitive when the number of lines is large. To account for systems involving many ionic stages and thousands of lines, a second approach combines detailed line calculations and statistical calculations. This approach necessitates much smaller calculation times than the first one and is then more appropriate for extensive calculations. The monochromatic opacity and the Rosseland and Planck mean opacities are calculated for relevant densities and temperatures.

  17. Spectra of conformal sigma models

    Energy Technology Data Exchange (ETDEWEB)

    Tlapak, Vaclav


    In this thesis the spectra of conformal sigma models defined on (generalized) symmetric spaces are analysed. The spaces where sigma models are conformal without the addition of a Wess-Zumino term are supermanifolds, in other words spaces that include fermionic directions. After a brief review of the general construction of vertex operators and the background field expansion, we compute the diagonal terms of the one-loop anomalous dimensions of sigma models on semi-symmetric spaces. We find that the results are formally identical to the symmetric case. However, unlike for sigma models on symmetric spaces, off diagonal terms that lead to operator mixing are also present. These are not computed here. We then present a detailed analysis of the one-loop spectrum of the supersphere S{sup 3} {sup vertical} {sup stroke} {sup 2} sigma model as one of the simplest examples. The analysis illustrates the power and simplicity of the construction. We use this data to revisit a duality with the OSP(4 vertical stroke 2) Gross-Neveu model that was proposed by Candu and Saleur. With the help of a recent all-loop result for the anomalous dimension of (1)/(2)BPS operators of Gross-Neveu models, we are able to recover the entire zero-mode spectrum of the supersphere model. We also argue that the sigma model constraints and its equations of motion are implemented correctly in the Gross-Neveu model, including the one-loop data. The duality is further supported by a new all-loop result for the anomalous dimension of the ground states of the sigma model. However, higher-gradient operators cannot be completely recovered. It is possible that this discrepancy is related to a known instability of the sigma model. The instability of sigma models is due to symmetry preserving high-gradient operators that become relevant at arbitrarily small values of the coupling. This feature has been observed long ago in one-loop calculations of the O(N)-vector model and soon been realized to be a generic

  18. Atomic and Molecular Physics Program (United States)


    Atomic Quantum Memories in Nano-Scale Optical Circuits: Jeff Kimble, Oskar Painter (CalTech) • Demonstration of a nanofiber atom trap: A. al, Phys. Rev. Lett. 109, 033603 (2012) • Cavity QED with atomic mirrors: D. Chang, et al, N. J. Phys. 14, 063003 (2012) • Fiber -coupled chip... PMMA -diamond hybrid cavities, coupling stable NV centers • Cavity Optomechanics with Cold Atoms: Dan Stamper-Kurn (UC Berkeley) • Squeezed light

  19. Statistical properties of Fermi GBM GRBs' spectra (United States)

    Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt


    Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

  20. Proceedings of the international seminar on atomic processes in plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Takako; Murakami, Izumi [eds.


    The International Seminar on Atomic Processes in Plasmas (ISAPP), a satellite meeting to the ICPEAC was held July 28-29 at the National Institute for Fusion Science in Toki, Gifu, Japan. About 110 scientists attended the ISAPP meeting and discussed atomic processes and atomic data required for fusion research. This Proceedings book includes the papers of the talks, posters and panel discussion given at the meeting. The invited talks described the super configuration array method for complex spectra, near-LTE atomic kinetics, R-matrix calculations, the binary-encounter dipole model for electron-impact ionization of molecules, other calculations of molecular processes, the ADAS project and the NIFS atomic data-base, and a survey of the role of molecular processes in divertor plasmas. On the experimental side crossed-beam ion-ion collision-experiments for charge transfer, and storage-ring and EBIT measurements of ionization, excitation and dielectronic recombination cross-sections were presented, and atomic processes important for x-ray laser experiments and x-ray spectroscopy of astrophysical plasmas were described. The new method of plasma polarization spectroscopy was outlined. There was also a spectroscopic study of particle transport in JT-60U, new results for detached plasmas, and a sketch of the first hot plasma experiments with the Large Helical Device recently completed at NIFS. The 63 of the presented papers are indexed individually. (J.P.N.)

  1. Calculations of magnetic x-ray dichroism in the 3d absorption spectra of rare-earth compounds

    NARCIS (Netherlands)



    We present atomic calculations for the recently discovered magnetic x-ray dichroism (MXD) displayed by the 3d x-ray-absorption spectra of rare-earth compounds. The spectral shapes expected at T=0 K for linear polarization parallel and normal to the local magnetic field is given, together with the


    NARCIS (Netherlands)



    Experimental data and theoretical calculations are shown for Pr 3d and 4d x-ray photoemission spectra (XPS) of Pr2O3. The observed spectral structures are well explained by the theoretical results that are obtained with the impurity Anderson model by combining intra-atomic multiplet coupling with

  3. Resonant two-electron processes in ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Zavodszky, P.A. E-mail:; Richard, P.; Bhalla, C.P


    A review of some of the recent results in an effort to obtain electron-ion differential scattering cross sections using fast ion-atom collisions is given. In the projectile frame, if we neglect the effects from the target nucleus, the ion-atom collision can be described as an electron-ion scattering process where the energy distribution of the impinging quasi-free electrons is determined by the Compton-profile of the target. In this electron scattering model (ESM), in addition to the direct electron scattering, doubly excited state formation of the projectile ion is also possible. This is a resonant process in which the doubly excited states can subsequently decay by ejecting Auger-electrons. We have studied elastic, inelastic and superelastic electron scattering as a function of incoming electron energy by observing the outgoing electron energy in the ion-atom collision emission spectra.

  4. Lasers, Understanding the Atom Series. (United States)

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. Basic information for understanding the laser is provided including discussion of the electromagnetic spectrum, radio waves, light and the atom, coherent light, controlled…

  5. Breaking the atom with Samson

    NARCIS (Netherlands)

    Väänänen, J.; Coecke, B.; Ong, L.; Panangaden, P.


    The dependence atom =(x,y) was introduced in [11]. Here x and y are finite sets of attributes (or variables) and the intuitive meaning of =(x,y) is that the attributes x completely (functionally) determine the attributes y. One may wonder, whether the dependence atom is truly an atom or whether it

  6. Current Trends in Atomic Spectroscopy. (United States)

    Wynne, James J.


    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  7. Bohmian picture of Rydberg atoms

    Indian Academy of Sciences (India)

    lished the nearly elliptical shapes for the centre-of-mass motion in Rydberg atoms using numerical simulations, we show analytically that the Bohmian trajectories in Rydberg atoms are nearly ellipti- cal. Keywords. Rydberg atom; quantum trajectory. PACS No. 03.65.Ge. 1. Introduction. Ever since the advent of quantum ...

  8. RDANN a new methodology to solve the neutron spectra unfolding problem

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz R, J.M.; Martinez B, M.R.; Vega C, H.R. [UAZ, Av. Ramon Lopez Velarde No. 801, 98000 Zacatecas (Mexico)


    The optimization processes known as Taguchi method and DOE methodology are applied to the design, training and testing of Artificial Neural Networks in the neutron spectrometry field, which offer potential benefits in the evaluation of the behavior of the net as well as the ability to examine the interaction of the weights and neurons inside the same one. In this work, the Robust Design of Artificial Neural Networks methodology is used to solve the neutron spectra unfolding problem, designing, training and testing an ANN using a set of 187 neutron spectra compiled by the International Atomic Energy Agency, to obtain the better neutron spectra unfolded from the Bonner spheres spectrometer's count rates. (Author)

  9. Measurement of XUV-absorption spectra of ZnS radiatively heated foils

    CERN Document Server

    Kontogiannopoulmos, Nikolaos; Thais, Frédéric; Chenais-Popovics, Claude; Sauvan, Pascal; Schott, R; Fölsner, Wolfgang; Arnault, Philippe; Poirier, Michel; Blenski, Thomas


    Time-resolved absorption of zinc sulfide (ZnS) and aluminum in the XUV-range has been measured. Thin foils in conditions close to local thermodynamic equilibrium were heated by radiation from laser-irradiated gold spherical cavities. Analysis of the aluminum foil radiative hydrodynamic expansion, based on the detailed atomic calculations of its absorption spectra, showed that the cavity emitted flux that heated the absorption foils corresponds to a radiation temperature in the range 55 60 eV. Comparison of the ZnS absorption spectra with calculations based on a superconfiguration approach identified the presence of species Zn6+ - Zn8+ and S5+ - S6+. Based on the validation of the radiative source simulations, experimental spectra were then compared to calculations performed by post-processing the radiative hydrodynamic simulations of ZnS. Satisfying agreement is found when temperature gradients are accounted for.

  10. Hydrogenated fullerenes in space: FT-IR spectra analysis

    Energy Technology Data Exchange (ETDEWEB)

    El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)


    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  11. Atomic Energy Levels. As Derived From the Analyses of Optical Spectra. Volume 3 (United States)


    Coris and I.L Murphy, unpubMs matea (MNarch 195). (M) (CL) 0 0 0 0 0 •• 0 0 Cd u Cd u Author Cooflg. Duals J laval interval Author Config. Deuig. J...analysis, from observa- tic .. made with a condensed hollow-cathode discharge in a neon atmosphere, as the source. They retained two levels rejected by...Oreen, Phys. Rev. 64 151 (1943). (1 5) B. FAUd, Plys. Rev. $16 248 (1944). B. Edl~d, unpublkbed matea •l (November 194I). (T) W. R. Sttn andE. R. P

  12. Universal Two-Body Spectra of Ultracold Harmonically Trapped Atoms in Two and Three Dimensions

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas


    of the short-range interaction. The results in three dimensions are examplified for narrow s-wave Feshbach resonances and we show how effective range corrections can modify the rearrangement of the level structure. However, this requires extremely narrow resonances or very tight traps that are not currently...

  13. Consistency of atomic data for the interpretation of beam emission spectra

    NARCIS (Netherlands)

    Delabie, E.; Brix, M.; Giroud, C.; Jaspers, R. J. E.; Marchuk, O.; O' Mullane, M. G.; Ralchenko, Y.; Surrey, E.; von Hellermann, M. G.; Zastrow, K. D.


    Several collisional-radiative (CR) models (Anderson et al 2000 Plasma Phys. Control. Fusion 42 781-806, Hutchinson 2002 Plasma Phys. Control. Fusion 44 71-82, Marchuk et al 2008 Rev. Sci. Instrum. 79 10F532) have been developed to calculate the attenuation and the population of excited states of

  14. Empirical maps for the calculation of amide I vibrational spectra of proteins from classical molecular dynamics simulations. (United States)

    Małolepsza, Edyta; Straub, John E


    New sets of parameters (maps) for calculating amide I vibrational spectra for proteins through a vibrational exciton model are proposed. The maps are calculated as a function of electric field and van der Waals forces on the atoms of peptide bonds, taking into account the full interaction between peptide bonds and the surrounding environment. The maps are designed to be employed using data obtained from standard all-atom molecular simulations without any additional constraints on the system. Six proteins representing a wide range of sizes and secondary structure complexity were chosen as a test set. Spectra calculated for these proteins reproduce experimental data both qualitatively and quantitatively. The proposed maps lead to spectra that capture the weak second peak observed in proteins containing β-sheets, allowing for clear distinction between α-helical and β-sheet proteins. While the parametrization is specific to the CHARMM force field, the methodology presented can be readily applied to any empirical force field.

  15. Primary populations of metastable antiprotonic $^{4}He$ and $^{3}He$ atoms

    CERN Document Server

    Hori, Masaki; Hayano, R S; Ishikawa, T; Sakuguchi, J; Tasaki, T; Widmann, E; Yamaguchi, H; Torii, H A; Juhász, B; Horváth, D; Yamazaki, T


    Initial population distributions of metastable antiprotonic **4He and **3He atoms over principal and angular momentum quantum numbers were investigated using laser spectroscopy. The total fractions of antiprotons captured into the metastable states of the atoms were deduced. Cascade calculations were performed using the measure populations to reproduce the delayed annihilation time spectrum. Results showed agreement between the simulated and measured spectra. (Edited abstract) 30 Refs.

  16. Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975. [Program, abstracts, and author index

    Energy Technology Data Exchange (ETDEWEB)


    Abstracts of one hundred papers given at the conference are presented along with the conference program and an author index. Session topics include: highly ionized atoms; laser spectroscopy and hyperfine structure; complex spectra; laser spectroscopy, radiation theory; theory of highly ionized atoms and analysis of plasmas; plasma spectroscopy, line strengths; spectral analysis, instrumentation, reference wavelengths; beam foil spectroscopy, line strengths, energy levels; absorption spectroscopy, autoionization, and related theory; and spectral analysis, instrumentation, and VUV physics. (GHT)

  17. Improved peak shape fitting in alpha spectra. (United States)

    Pommé, S; Caro Marroyo, B


    Peak overlap is a recurrent issue in alpha-particle spectrometry, not only in routine analyses but also in the high-resolution spectra from which reference values for alpha emission probabilities are derived. In this work, improved peak shape formulae are presented for the deconvolution of alpha-particle spectra. They have been implemented as fit functions in a spreadsheet application and optimum fit parameters were searched with built-in optimisation routines. Deconvolution results are shown for a few challenging spectra with high statistical precision. The algorithm outperforms the best available routines for high-resolution spectrometry, which may facilitate a more reliable determination of alpha emission probabilities in the future. It is also applicable to alpha spectra with inferior energy resolution. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  18. Power spectra of currents off Bombay

    Digital Repository Service at National Institute of Oceanography (India)

    Varkey, M.J.

    Current measurements were carried out using a recording current meter across the continental shelf off Bombay, Maharashtra, India at 4 stations from an anchored ship. Power spectra were computed for selected lengths of records. Spectral energy...

  19. LARSON FTS SPECTRA V1.0 (United States)

    National Aeronautics and Space Administration — This data set contains 107 asteroid spectra obtained between the years 1975 and 1982 inclusive, with the infrared fourier transform spectrometer (FTS) of H. P....

  20. VILAS ASTEROID SPECTRA V1.0 (United States)

    National Aeronautics and Space Administration — This data set contains 85 published spectra of asteroids obtained by Faith Vilas during the years 1982 - 1992. These appeared in the following papers:...

  1. Cold atoms close to surfaces

    DEFF Research Database (Denmark)

    Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian


    Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...

  2. Topics in atomic collision theory

    CERN Document Server

    Geltman, Sydney; Brueckner, Keith A


    Topics in Atomic Collision Theory originated in a course of graduate lectures given at the University of Colorado and at University College in London. It is recommended for students in physics and related fields who are interested in the application of quantum scattering theory to low-energy atomic collision phenomena. No attention is given to the electromagnetic, nuclear, or elementary particle domains. The book is organized into three parts: static field scattering, electron-atom collisions, and atom-atom collisions. These are in the order of increasing physical complexity and hence necessar

  3. Phase-sensitive atom localization for closed-loop quantum systems (United States)

    Hamedi, H. R.; Juzeliūnas, Gediminas


    A scheme of high-precision two- and three-dimensional (3D) atom localization is proposed and analyzed by using a density matrix method for a five-level atom-light coupling scheme. In this system four strong laser components (which could be standing waves) couple a pair of atomic internal states to another pair of states in all possible ways to form a closed-loop diamond-shape configuration of the atom-light interaction. By systematically solving the density matrix equations of the motion, we show that the imaginary part of the susceptibility for the weak probe field is position dependent. As a result, one can obtain information about the position of the atom by measuring the resulting absorption spectra. Focusing on the signatures of the relative phase of the applied fields stemming from the closed- loop structure of the diamond- shape subsystem, we find out that there exists a significant phase dependence of the eigenvalues required to have a maximum in the probe absorption spectra. It is found that by properly selecting the controlling parameters of the system, a nearly perfect 2D atom localization can be obtained. Finally, we numerically explore the phase control of 3D atom localization for the present scheme and show the possibility to obtain 1/2 detecting probability of finding the atom at a particular volume in 3D space within one period of standing waves.

  4. Improved peak shape fitting in alpha spectra




    Peak overlap is a recurrent issue ina lpha-particle spectrometry, not only in routine analyses but also in the high-resolution spectra from which reference values for alpha emission probabilities are derived. In this work, improved peak shape formulae are presented for the deconvolution of alpha-particle spectra. They have been implemented as fit functions in a spreadsheet application and optimum fit parameters were searched with built-in optimisation routines. Deconvolution results are shown...

  5. Quantum twin spectra in nanocrystalline silicon (United States)

    Matsumoto, Takahiro; Ohhara, Takashi; Sugimoto, Hidehiko; Bennington, Stephen M.; Ikeda, Susumu


    Using inelastic neutron-scattering spectroscopy, we have identified twin-split scattering spectra in hydrogen-terminated nanocrystalline silicon. We show that this duality originates from the cooperative motion of hydrogen and silicon. Our formalism for the inelastic neutron-scattering spectrum, which is derived from the Hermite orthogonal wave functions in terms of the normal coordinates, elucidates the physical origin of the observed quantum twin spectra and predicts the possible occurrence of this behavior in other materials such as metal hydrides.

  6. Baryon spectra with instanton induced forces


    Semay, Claude; Brau, Fabian; Silvestre-Brac, B.


    Except the vibrational excitations of $K$ and $K^*$ mesons, the main features of spectra of mesons composed of quarks $u$, $d$, and $s$ can be quite well described by a semirelativistic potential model including instanton induced forces. The spectra of baryons composed of the same quarks is studied using the same model. The results and the limitations of this approach are described. Some possible improvements are suggested.

  7. Selection and Characterization of Interesting Grism Spectra


    Meurer, G. R.


    Observations with the ACS Wide Field Camera and G800L grism can produce thousands of spectra within a single WFC field producing a potentially rich treasure trove of information. However, the data are complicated to deal with. Here we describe algorithms to find and characterize spectra of emission line galaxies and supernovae using tools we have developed in conjunction with off the shelf software.

  8. Cavity QED with atomic mirrors (United States)

    Chang, D. E.; Jiang, L.; Gorshkov, A. V.; Kimble, H. J.


    A promising approach to merge atomic systems with scalable photonics has emerged recently, which consists of trapping cold atoms near tapered nanofibers. Here, we describe a novel technique to achieve strong, coherent coupling between a single atom and photon in such a system. Our approach makes use of collective enhancement effects, which allow a lattice of atoms to form a high-finesse cavity within the fiber. We show that a specially designated ‘impurity’ atom within the cavity can experience strongly enhanced interactions with single photons in the fiber. Under realistic conditions, a ‘strong coupling’ regime can be reached, wherein it becomes feasible to observe vacuum Rabi oscillations between the excited impurity atom and a single cavity quantum. This technique can form the basis for a scalable quantum information network using atom-nanofiber systems.

  9. Chameleon Induced Atomic Afterglow

    CERN Document Server

    Brax, Philippe


    The chameleon is a scalar field whose mass depends on the density of its environment. Chameleons are necessarily coupled to matter particles and will excite transitions between atomic energy levels in an analogous manner to photons. When created inside an optical cavity by passing a laser beam through a constant magnetic field, chameleons are trapped between the cavity walls and form a standing wave. This effect will lead to an afterglow phenomenon even when the laser beam and the magnetic field have been turned off, and could be used to probe the interactions of the chameleon field with matter.

  10. Atomic mechanics of solids

    CERN Document Server

    MacPherson, A K


    This volume brings together some of the presently available theoretical techniques which will be useful in the design of solid-state materials. At present, it is impossible to specify the atomic composition of a material and its macroscopic physical properties. However, the future possibilities for such a science are being laid today. This is coming about due to the development of fast, cheap computers which will be able to undertake the calculations which are necessary.Since this field of science is fairly new, it is not yet quite clear which direction of analysis will eventually prov

  11. Electroless atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, David Bruce; Cappillino, Patrick J.; Sheridan, Leah B.; Stickney, John L.; Benson, David M.


    A method of electroless atomic layer deposition is described. The method electrolessly generates a layer of sacrificial material on a surface of a first material. The method adds doses of a solution of a second material to the substrate. The method performs a galvanic exchange reaction to oxidize away the layer of the sacrificial material and deposit a layer of the second material on the surface of the first material. The method can be repeated for a plurality of iterations in order to deposit a desired thickness of the second material on the surface of the first material.

  12. Atomic data for fusion

    Energy Technology Data Exchange (ETDEWEB)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.


    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  13. Identifying Broadband Rotational Spectra with Neural Networks (United States)

    Zaleski, Daniel P.; Prozument, Kirill


    A typical broadband rotational spectrum may contain several thousand observable transitions, spanning many species. Identifying the individual spectra, particularly when the dynamic range reaches 1,000:1 or even 10,000:1, can be challenging. One approach is to apply automated fitting routines. In this approach, combinations of 3 transitions can be created to form a "triple", which allows fitting of the A, B, and C rotational constants in a Watson-type Hamiltonian. On a standard desktop computer, with a target molecule of interest, a typical AUTOFIT routine takes 2-12 hours depending on the spectral density. A new approach is to utilize machine learning to train a computer to recognize the patterns (frequency spacing and relative intensities) inherit in rotational spectra and to identify the individual spectra in a raw broadband rotational spectrum. Here, recurrent neural networks have been trained to identify different types of rotational spectra and classify them accordingly. Furthermore, early results in applying convolutional neural networks for spectral object recognition in broadband rotational spectra appear promising. Perez et al. "Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer." Chem. Phys. Lett., 2013, 571, 1-15. Seifert et al. "AUTOFIT, an Automated Fitting Tool for Broadband Rotational Spectra, and Applications to 1-Hexanal." J. Mol. Spectrosc., 2015, 312, 13-21. Bishop. "Neural networks for pattern recognition." Oxford university press, 1995.

  14. Double-atomic layer of Tl on Si(111): Atomic arrangement and electronic properties (United States)

    Mihalyuk, Alexey N.; Bondarenko, Leonid V.; Tupchaya, Alexandra Y.; Gruznev, Dimitry V.; Chou, Jyh-Pin; Hsing, Cheng-Rong; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.


    Metastable double-atomic layer of Tl on Si(111) has recently been found to display interesting electric properties, namely superconductivity below 0.96 K and magnetic-field-induced transition into an insulating phase intermediated by a quantum metal state. In the present work, using a set of experimental techniques, including low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, in a combination with density-functional-theory calculations, we have characterized atomic and electronic properties of the Tl double layer on Si(111). The double Tl layer has been concluded to contain ∼ 2.4 monolayer of Tl. A top Tl layer has a '1 × 1' basic structure and displays 6 × 6 moiré pattern which originates from various residence sites of Tl atoms. Upon cooling below ∼ 140 K, the 6 × 6 moiré pattern changes to that having a 6√{ 3} × 6√{ 3} periodicity. However, the experimentally determined electron band dispersions show a 1 × 1 periodicity. The calculated band structure unfolded into the 1 × 1 surface Brillouin zone reproduces well the main features of the photoelectron spectra.

  15. Neuromorphic atomic switch networks.

    Directory of Open Access Journals (Sweden)

    Audrius V Avizienis

    Full Text Available Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system.

  16. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S


    We analyze the time delay between emission of photoelectrons from the outer valence $ns$ and $np$ sub-shells in noble gas atoms following absorption of an attosecond XUV pulse. By solving the time dependent Schr\\"odinger equation and carefully examining the time evolution of the photoelectron wave packet, we establish the apparent "time zero" when the photoelectron leaves the atom. Various processes such as elastic scattering of the photoelectron on the parent ion and many-electron correlation affect the quantum phase of the dipole transition matrix element, the energy dependence of which defines the emission timing. This qualitatively explains the time delay between photoemission from the $2s$ and $2p$ sub-shells of Ne as determined experimentally by attosecond streaking [{\\em Science} {\\bf 328}, 1658 (2010)]. However, with our extensive numerical modeling, we were only able to account for less than a half of the measured time delay of $21\\pm5$~as. We argue that the XUV pulse alone cannot produce such a larg...

  17. Parameterizing Stellar Spectra Using Deep Neural Networks (United States)

    Li, Xiang-Ru; Pan, Ru-Yang; Duan, Fu-Qing


    Large-scale sky surveys are observing massive amounts of stellar spectra. The large number of stellar spectra makes it necessary to automatically parameterize spectral data, which in turn helps in statistically exploring properties related to the atmospheric parameters. This work focuses on designing an automatic scheme to estimate effective temperature ({T}{eff}), surface gravity ({log}g) and metallicity [Fe/H] from stellar spectra. A scheme based on three deep neural networks (DNNs) is proposed. This scheme consists of the following three procedures: first, the configuration of a DNN is initialized using a series of autoencoder neural networks; second, the DNN is fine-tuned using a gradient descent scheme; third, three atmospheric parameters {T}{eff}, {log}g and [Fe/H] are estimated using the computed DNNs. The constructed DNN is a neural network with six layers (one input layer, one output layer and four hidden layers), for which the number of nodes in the six layers are 3821, 1000, 500, 100, 30 and 1, respectively. This proposed scheme was tested on both real spectra and theoretical spectra from Kurucz’s new opacity distribution function models. Test errors are measured with mean absolute errors (MAEs). The errors on real spectra from the Sloan Digital Sky Survey (SDSS) are 0.1477, 0.0048 and 0.1129 dex for {log}g, {log}{T}{eff} and [Fe/H] (64.85 K for {T}{eff}), respectively. Regarding theoretical spectra from Kurucz’s new opacity distribution function models, the MAE of the test errors are 0.0182, 0.0011 and 0.0112 dex for {log}g, {log}{T}{eff} and [Fe/H] (14.90 K for {T}{eff}), respectively.

  18. Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates† †Electronic supplementary information (ESI) available: IR spectra, thermogravimetric analysis data, powder diffraction patterns, crystal morphology data, details of solubility studies, additional crystallographic and magnetochemical data and comment on the unassigned signals in the ESI mass spectra. CCDC 1432847–1432850. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc04571a Click here for additional data file. Click here for additional data file. (United States)

    Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul


    Antimonato polyoxovanadate (POV) cluster compounds {M(en)3}3[V15Sb6O42(H2O)x]·nH2O (M = FeII, CoII, NiII and x = 0 or 1) obtained under solvothermal conditions exhibit unusual high water solubility making these compounds promising synthons for generation of new POV structure types. Electrospray ionization mass spectrometry provides evidence (i) for a water molecule encapsulated inside the cavity of a fraction of the spherical cluster shells, (ii) for a post-functionalization in water, namely a slow exchange of VO against Sb2O, (iii) for the inner-phase reactivity of the encapsulated water that is capable of opening an oxo-bridge, and (iv) for a significant acceleration of the 16O/18O exchange reactions of oxygen atoms in the cluster periphery with surrounding H2 18O, when encapsulated water is present. To the best of our knowledge, this is the first example in polyoxovanadate chemistry for the transduction of inner-phase reactivity of an encapsulated guest molecule into changes in the outer-phase reactivity of the cluster. Magnetic susceptibility measurements reflect the individual contributions of the frustrated {V15} spin polytope and the {M(en)3}2+ complexes, with very weak coupling between these groups. PMID:28660041

  19. Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

    DEFF Research Database (Denmark)

    van der Heijden, Nadine J.; Smith, Daniel; Calogero, Gaetano


    Doping graphene by heteroatoms such as nitrogen presents an attractive route to control the position of the Fermi level in the material. We prepared N-doped graphene on Cu(111) and Ir(111) surfaces via chemical vapor deposition of two different molecules. Using scanning tunneling microscopy images...... as a benchmark, we show that the position of the dopant atoms can be determined using atomic force microscopy. Specifically, the frequency shift-distance curves Delta f(z) acquired above a N atom are significantly different from the curves measured over a C atom. Similar behavior was found for N-doped graphene...

  20. Can atom-surface potential measurements test atomic structure models? (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D


    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  1. Determination of the fast neutrons spectra by the Elastic scattering method (n, p)

    CERN Document Server

    Elizalde, J


    This work consists in determining the fast neutron spectra emitted by a Pu-Be isotopic source. The implemented technique is based in the spectrometry (n, p). This consists in making to fall on a fast neutrons beams (polyenergetic) over a thin film of hydrogenated material, detecting the spectra of emitted protons at a fix angle. The polyethylene film and the used solid state detector are inside of a vacuum chamber. The detector is placed at 30 degree with respect to direction of the incident neutrons beam. The protons spectra is stored in a multichannel. the energy is obtained with the prior calibration of the system. The data processing involves the transformation of the protons spectra observed at the falling on neutrons spectra over the film. The energy of the neutrons is related with that of the protons, according to the collision kinematical equations. The cross section of elastic collision of the neutrons with the hydrogen atoms is obtained from literature. Applying these relations to the observed spect...

  2. Background noise spectra of global seismic stations

    Energy Technology Data Exchange (ETDEWEB)

    Wada, M.M.; Claassen, J.P.


    Over an extended period of time station noise spectra were collected from various sources for use in estimating the detection and location performance of global networks of seismic stations. As the database of noise spectra enlarged and duplicate entries became available, an effort was mounted to more carefully select station noise spectra while discarding others. This report discusses the methodology and criteria by which the noise spectra were selected. It also identifies and illustrates the station noise spectra which survived the selection process and which currently contribute to the modeling efforts. The resulting catalog of noise statistics not only benefits those who model network performance but also those who wish to select stations on the basis of their noise level as may occur in designing networks or in selecting seismological data for analysis on the basis of station noise level. In view of the various ways by which station noise were estimated by the different contributors, it is advisable that future efforts which predict network performance have available station noise data and spectral estimation methods which are compatible with the statistics underlying seismic noise. This appropriately requires (1) averaging noise over seasonal and/or diurnal cycles, (2) averaging noise over time intervals comparable to those employed by actual detectors, and (3) using logarithmic measures of the noise.

  3. Cloud supersaturations from CCN spectra Hoppel minima (United States)

    Hudson, James G.; Noble, Stephen; Tabor, Samantha


    High-resolution cloud condensation nucleus (CCN) spectral measurements in two aircraft field projects, Marine Stratus/Stratocumulus Experiment (MASE) and Ice in Clouds Experiment-Tropical (ICE-T), often showed bimodality that had previously been observed in submicrometer aerosol size distributions obtained by differential mobility analyzers. However, a great deal of spectral shape variability from very bimodal to very monomodal was observed in close proximity. Cloud supersaturation (S) estimates based on critical S, Sc, at minimal CCN concentrations between two modes (Hoppel minima) were ascertained for 63% of 325 measured spectra. These cloud S were lower than effective S (Seff) determined by comparing ambient CCN spectra with nearby cloud droplet concentrations (Nc). Averages for the polluted MASE stratus were 0.15 and 0.23% and for the cumulus clouds of ICE-T 0.44 and 1.03%. This cloud S disagreement between the two methods might in part be due to the fact that Hoppel minima include the effects of cloud processing, which push CCN spectra toward lower S. Furthermore, there is less cloud processing by the smaller cloud droplets, which might be related to smaller droplets evaporating more readily. Significantly lower concentrations within the more bimodal spectra compared with the monomodal spectra indicated active physical processes: Brownian capture of interstitial CCN and droplet coalescence. Chemical cloud processing also contributed to bimodality, especially in MASE.

  4. Program Spectra Analysis with Theory of Evidence

    Directory of Open Access Journals (Sweden)

    Rattikorn Hewett


    Full Text Available This paper presents an approach to automatically analyzing program spectra, an execution profile of program testing results for fault localization. Using a mathematical theory of evidence for uncertainty reasoning, the proposed approach estimates the likelihood of faulty locations based on evidence from program spectra. Our approach is theoretically grounded and can be computed online. Therefore, we can predict fault locations immediately after each test execution is completed. We evaluate the approach by comparing its performance with the top three performing fault localizers using a benchmark set of real-world programs. The results show that our approach is at least as effective as others with an average effectiveness (the reduction of the amount of code examined to locate a fault of 85.6% over 119 versions of the programs. We also study the quantity and quality impacts of program spectra on our approach where the quality refers to the spectra support in identifying that a certain unit is faulty. The results show that the effectiveness of our approach slightly improves with a larger number of failed runs but not with a larger number of passed runs. Program spectra with support quality increases from 1% to 100% improves the approach's effectiveness by 3.29%.

  5. Artificial intelligence analysis of paraspinal power spectra. (United States)

    Oliver, C W; Atsma, W J


    OBJECTIVE: As an aid to discrimination of sufferers with back pain an artificial intelligence neural network was constructed to differentiate paraspinal power spectra. DESIGN: Clinical investigation using surface electromyography. METHOD: The surface electromyogram power spectra from 60 subjects, 33 non-back-pain sufferers and 27 chronic back pain sufferers were used to construct a back propagation neural network that was then tested. Subjects were placed on a test frame in 30 degrees of lumbar forward flexion. An isometric load of two-thirds maximum voluntary contraction was held constant for 30 s whilst surface electromyograms were recorded at the level of the L(4-5). Paraspinal power spectra were calculated and loaded into the input layer of a three-layer back propagation network. The neural network classified the spectra into normal or back pain type. RESULTS: The back propagation neural was shown to have satisfactory convergence with a specificity of 79% and a sensitivity of 80%. CONCLUSIONS: Artificial intelligence neural networks appear to be a useful method of differentiating paraspinal power spectra in back-pain sufferers.

  6. Disk-averaged synthetic spectra of Mars. (United States)

    Tinetti, Giovanna; Meadows, Victoria S; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather


    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

  7. Optical angular momentum and atoms. (United States)

    Franke-Arnold, Sonja


    Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

  8. Optical nanofibres and neutral atoms

    CERN Document Server

    Nieddu, Thomas; Chormaic, Sile Nic


    Optical nanofibres are increasingly being used in cold atom experiments due to their versatility and the clear advantages they have when developing all-fibred systems for quantum technologies. They provide researchers with a method of overcoming the Rayleigh range for achieving high intensities in a focussed beam over a relatively long distance, and can act as a noninvasive tool for probing cold atoms. In this review article, we will briefly introduce the theory of mode propagation in an ultrathin optical fibre and highlight some of the more significant theoretical and experimental progresses to date, including the early work on atom probing, manipulation and trapping, the study of atom-dielectric surface interactions, and the more recent observation of nanofibre-mediated nonlinear optics phenomena in atomic media. The functionality of optical nanofibres in relation to the realisation of atom-photon hybrid quantum systems is also becoming more evident as some of the earlier technical challenges are surpassed ...

  9. Atomic iodine laser

    Energy Technology Data Exchange (ETDEWEB)

    Fisk, G.A.; Gusinow, M.A.; Hays, A.K.; Padrick, T.D.; Palmer, R.E.; Rice, J.K.; Truby, F.K.; Riley, M.E.


    The atomic iodine photodissociation laser has been under intensive study for a number of years. The physics associated with this system is now well understood and it is possible to produce a 0.1 nsec (or longer) near-diffraction-limited laser pulse which can be amplified with negligible temporal distortion and little spatial deformation. The output of either a saturated or unsaturated amplifier consists of a high-fidelity near-diffraction-limited, energetic laser pulse. The report is divided into three chapters. Chapter 1 is a survey of the important areas affecting efficient laser operation and summarizes the findings of Chap. 2. Chapter 2 presents detailed discussions and evaluations pertinent to pumps, chemical regeneration, and other elements in the overall laser system. Chapter 3 briefly discusses those areas that require further work and the nature of the work required to complete the full-scale evaluation of the applicability of the iodine photodissociation laser to the inertial confinement program.

  10. Conformational landscape, photochemistry, and infrared spectra of sulfanilamide. (United States)

    Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, Rui


    A combined matrix isolation FTIR and theoretical DFT(B3LYP)/6-311++G(3df,3pd) study of sulfanilamide (SA) was performed. The full conformational search on the potential energy surface of the compound allowed the identification of four different minima, all of them bearing the sulfamide nitrogen atom placed in the perpendicular orientation relatively to the aromatic ring and differing from each other in the orientation of the hydrogen atoms connected to the two nitrogen atoms of the molecule. All conformers were predicted to be significantly populated in the gas phase (at 100 °C, their relative populations were estimated as being 1:0.9:0.3:0.2). However, in agreement with the theoretically calculated low-energy barriers for conformational isomerization, in the low-temperature matrices, only the most stable conformer could be observed, with the remaining forms being converted into this form during matrix deposition (conformational cooling). The unimolecular photochemistry of matrix-isolated SA (in both argon and xenon) was also investigated. Upon broadband UV irradiation (λ > 215 nm), two photofragmentation pathways were observed: the prevalent pathway (A), leading to extrusion of sulfur dioxide and simultaneous formation of benzene-1,4-diamine, which then converts to 2,5-cyclohexadiene-1,4-diimine, and the minor pathway (B), conducting an γ-cleavage plus [1,3] H-atom migration from the sulfamide group to the aromatic ring, which leads to formation of iminosulfane dioxide and aniline, the latter undergoing subsequent phototransformation into cyclohexa-2,5-dien-1-imine. Finally, the crystalline polymorph of SA resulting from warming (265 K) the amorphous solid obtained from fast cooling of the vapor of the compound onto the cold (13 K) substrate of the cryostat was identified spectroscopically, and found to be the γ-crystalline phase, the one exhibiting in average longer H-bonds and an infrared spectrum resembling more that of the low temperature SA glass. Full

  11. Atomic kinetics of a neon photoionized plasma experiment at Z (United States)

    Mayes, D. C.; Mancini, R. C.; Schoenfeld, R. P.; Bailey, J. E.; Loisel, G. P.; Rochau, G. A.; ZAPP Collaboration


    We discuss an experimental effort to study the atomic kinetics in neon photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at various distances from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 120 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of collecting both time-integrated and time-gated data is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal-densities and charge state distributions, which can be compared with results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas. This work was sponsored in part by DOE Office of Science Grant DE-SC0014451, and the Z Facility Fundamental Science Program of SNL.

  12. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

    Saffman, Mark; Walker, T.G.; Mølmer, Klaus


    Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

  13. HPAM: Hirshfeld partitioned atomic multipoles (United States)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.


    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL: Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  14. Power spectra of the angular fractals (United States)

    Zhong, Xihua; Zhu, Yafen; Zhou, Yueming


    Based on the angular backbone taken from the triangular Sierpinski gasket, several seLf-similar structures are disigned, corresponding diffraction screens are made, and the Fraunhofer patterns as power spectra of them are given. Based upon a viewpoint of generative production and by means of the ui-branched displacement operation, we have found the recurrence formulae of spectral structure factor for these angular fractals. As a example, the recurrence formulae of power spectra for a coherent point group is given, corresponding a series of curves as well as an isogram are plotted. The analysis of result shows that the power spectra of this fractal point group has a rotation symmetry and a mirror symmetry, and appears a period doubling phenomenon which follows the process of generative production.

  15. Tunneling spectra of graphene on copper unraveled

    DEFF Research Database (Denmark)

    Zhang, Xin; Stradi, Daniele; Liu, Lei


    mechanisms, etc. The interpretation of the spectra can be complicated, however. Specifically for graphene grown on copper, there have been conflicting reports of tunneling spectra. A clear understanding of the mechanisms behind the variability is desired. In this work, we have revealed that the root cause...... of the variability in tunneling spectra is the variation in graphene-substrate coupling under various experimental conditions, providing a salutary perspective on the important role of 2D material-substrate interactions. The conclusions are drawn from measured data and theoretical calculations for monolayer, AB......-stacked bilayer, and twisted bilayer graphene coexisting on the same substrates in areas with and without intercalated oxygen, demonstrating a high degree of consistency. The Van Hove singularities of the twisted graphene unambiguously indicate the Dirac energy between them, lending strong evidence to our...

  16. Linear Atom Guides: Guiding Rydberg Atoms and Progress Toward an Atom Laser (United States)

    Traxler, Mallory A.

    In this thesis, I explore a variety of experiments within linear, two-wire, magnetic atom guides. Experiments include guiding of Rydberg atoms; transferring between states while keeping the atoms contained within the guide; and designing, constructing, and testing a new experimental apparatus. The ultimate goal of the atom guiding experiments is to develop a continuous atom laser. The guiding of 87Rb 59D5/2 Rydberg atoms is demonstrated. The evolution of the atoms is driven by the combined effects of dipole forces acting on the center-of-mass degree of freedom as well as internal-state transitions. Time delayed microwave and state-selective field ionization, along with ion detection, are used to investigate the evolution of the internal-state distribution as well as the Rydberg atom motion while traversing the guide. The observed decay time of the guided-atom signal is about five times that of the initial state. A population transfer between Rydberg states contributes to this lengthened lifetime, and also broadens the observed field ionization spectrum. The population transfer is attributed to thermal transitions and, to a lesser extent, initial state-mixing due to Rydberg-Rydberg collisions. Characteristic signatures in ion time-of-flight signals and spatially resolved images of ion distributions, which result from the coupled internal-state and center-of-mass dynamics, are discussed. Some groups have used a scheme to make BECs where atoms are optically pumped from one reservoir trap to a final state trap, irreversibly transferring those atoms from one trap to the other. In this context, transfer from one guided ground state to another is studied. In our setup, before the atoms enter the guide, they are pumped into the | F = 1, mF = --1> state. Using two repumpers, one tuned to the F = 1 → F' = 0 transition (R10) and the other tuned to the F = 1 → F' = 2 transition (R12), the atoms are pumped between these guided states. Magnetic reflections within the guide

  17. BETA SPECTRA. I. Negatrons spectra; ESPECTROS BETA. I. Espectros simples de negatrones

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Garcia-Torano, E.


    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  18. Introduction to light forces, atom cooling, and atom trapping


    Savage, Craig


    This paper introduces and reviews light forces, atom cooling and atom trapping. The emphasis is on the physics of the basic processes. In discussing conservative forces the semi-classical dressed states are used rather than the usual quantized field dressed states.

  19. Atomic Force Microscopy and Real Atomic Resolution. Simple Computer Simulations

    NARCIS (Netherlands)

    Koutsos, V.; Manias, E.; Brinke, G. ten; Hadziioannou, G.


    Using a simple computer simulation for AFM imaging in the contact mode, pictures with true and false atomic resolution are demonstrated. The surface probed consists of two f.c.c. (111) planes and an atomic vacancy is introduced in the upper layer. Changing the size of the effective tip and its

  20. Intermolecular atom-atom bonds in crystals - a chemical perspective. (United States)

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R


    Short atom-atom distances between molecules are almost always indicative of specific intermolecular bonding. These distances may be used to assess the significance of all hydrogen bonds, including the C-H⋯O and even weaker C-H⋯F varieties.

  1. On Thom spectra, orientability, and cobordism

    CERN Document Server

    Rudyak, Yu B


    For many years, algebraic topology rests on three legs: 'ordinary' cohomology, K-theory, and cobordism. This book is the first guide on the subject of cobordism since R. Stong's encyclopaedic and influential notes of a generation ago. It concentrates on Thom spaces (spectra), orientability theory and (co)bordism theory (including (co)bordism with singularities and, in particular, Morava K-theories), framed by (co)homology theories and spectra. From the Foreword by Haynes Miller The author has also performed a service to the history of science in this book, giving detailed attributions. This sa

  2. Energy spectra of geomagnetically trapped oxygen ions

    CERN Document Server

    Leicher, M; Enge, W


    In a series of COSMOS satellite flights plastic nuclear track detectors have been exposed in low-earth orbits to monitor anomalous cosmic rays (ACR) at energies below 25 MeV/nuc. The analysis of energy spectra has now been extended to energies up to 40 MeV/nuc for two exposures aboard COSMOS 2260 in 1993 and COSMOS 2311 in 1995. Our data on trapped ACR (TACR) oxygen energy spectra might indicate the influence of energy-dependent stripping probabilities and the presence of multiply charged ACR oxygen at high energies as reported by latest SAMPEX observations.

  3. Nonlinear FMR spectra in yttrium iron garnet

    Directory of Open Access Journals (Sweden)

    Yu.M. Bunkov, P.M. Vetoshko, I.G. Motygullin, T.R. Safin, M.S. Tagirov, N.A. Tukmakova


    Full Text Available Results of demagnetizing effect studies in yttrium iron garnet Y3Fe5O12 thin films are reported. Experiments were performed on X-Band of electron paramagnetic resonance spectrometer at room temperature. The ferromagnetic resonance (FMR spectra were obtained for one-layer single crystal YIG films for different values of the applied microwave power. Nonlinear FMR spectra transformation by the microwave power increasing in various directions of magnetic field sweep was observed. It is explained by the influence of the demagnetization action of nonequilibrium magnons.

  4. RM-CLEAN: RM spectra cleaner (United States)

    Heald, George


    RM-CLEAN reads in dirty Q and U cubes, generates rmtf based on the frequencies given in an ASCII file, and cleans the RM spectra following the algorithm given by Brentjens (2007). The output cubes contain the clean model components and the CLEANed RM spectra. The input cubes must be reordered with mode=312, and the output cubes will have the same ordering and thus must be reordered after being written to disk. RM-CLEAN runs as a MIRIAD (ascl:1106.007) task and a Python wrapper is included with the code.

  5. Algorithms for classification of astronomical object spectra (United States)

    Wasiewicz, P.; Szuppe, J.; Hryniewicz, K.


    Obtaining interesting celestial objects from tens of thousands or even millions of recorded optical-ultraviolet spectra depends not only on the data quality but also on the accuracy of spectra decomposition. Additionally rapidly growing data volumes demands higher computing power and/or more efficient algorithms implementations. In this paper we speed up the process of substracting iron transitions and fitting Gaussian functions to emission peaks utilising C++ and OpenCL methods together with the NOSQL database. In this paper we implemented typical astronomical methods of detecting peaks in comparison to our previous hybrid methods implemented with CUDA.

  6. Spectra of barium, radium, and element 120; application of the combined correlation potential, singles-doubles, and configuration interaction ab initio method

    CERN Document Server

    Ginges, J S M


    We apply a version of the recently developed approach combining the correlation potential, linearized singles-doubles coupled-cluster, and the configuration interaction methods to the spectra of the heavy alkaline earths barium, radium, and element 120. Quantum electrodynamics radiative corrections are included. We have found unprecedented agreement between ab initio theory and experiment for the spectra of barium and radium, and we make accurate predictions for missing and unreliable data for all three atoms.

  7. Aberration-corrected STEM for atomic-resolution imaging and analysis. (United States)

    Krivanek, O L; Lovejoy, T C; Dellby, N


    Aberration-corrected scanning transmission electron microscopes are able to form electron beams smaller than 100 pm, which is about half the size of an average atom. Probing materials with such beams leads to atomic-resolution images, electron energy loss and energy-dispersive X-ray spectra obtained from single atomic columns and even single atoms, and atomic-resolution elemental maps. We review briefly how such electron beams came about, and show examples of applications. We also summarize recent developments that are propelling aberration-corrected scanning transmission electron microscopes in new directions, such as complete control of geometric aberration up to fifth order, and ultra-high-energy resolution EELS that is allowing vibrational spectroscopy to be carried out in the electron microscope. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  8. Multi-level cascaded electromagnetically induced transparency in cold atoms using an optical nanofibre interface

    CERN Document Server

    Kumar, Ravi; Chormaic, Síle Nic


    Ultrathin optical fibres integrated into cold atom setups are proving to be ideal building blocks for atom-photon hybrid quantum networks. Such optical nanofibres (ONF) can be used for the demonstration of nonlinear optics and quantum interference phenomena in atomic media. Here, we report on the observation of multilevel cascaded electromagnetically induced transparency (EIT) using an optical nanofibre to interface cold $^{87}$Rb atoms through the intense evanescent fields that can be achieved at ultralow probe and coupling powers. Both the probe (at 780 nm) and the coupling (at 776 nm) beams propagate through the nanofibre. The observed multipeak transparency spectra of the probe beam could offer a method for simultaneously slowing down multiple wavelengths in an optical nanofibre or for generating ONF-guided entangled beams, showing the potential of such an atom-nanofibre system for quantum information. We also demonstrate all-optical-switching in the all fibred system using the obtained EIT effect.

  9. Atom-surface studies with Rb Rydberg atoms (United States)

    Chao, Yuanxi; Sheng, Jiteng; Sedlacek, Jonathon; Shaffer, James


    We report on experimental and theoretical progress studying atom-surface interactions using rubidium Rydberg atoms. Rydberg atoms can be strongly coupled to surface phonon polariton (SPhP) modes of a dielectric material. The coherent interaction between Rydberg atoms and SPhPs has potential applications for quantum hybrid devices. Calculations of TM-mode SPhPs on engineered surfaces of periodically poled lithium niobate (PPLN) and lithium tantalate (PPLT) for different periodic domains and surface orientations, as well as natural materials such as quartz, are presented. Our SPhP calculations account for the semi-infinite anisotropic nature of the materials. In addition to theoretical calculations, we show experimental results of measurements of adsorbate fields and coupling of Rydberg atoms to SPhPs on quartz.

  10. Coherent Atom Optics with fast metastable rare gas atoms (United States)

    Grucker, J.; Baudon, J.; Karam, J.-C.; Perales, F.; Bocvarski, V.; Vassilev, G.; Ducloy, M.


    Coherent atom optics experiments making use of an ultra-narrow beam of fast metastable atoms generated by metastability exchange are reported. The transverse coherence of the beam (coherence radius of 1.7 μm for He*, 1.2 μm for Ne*, 0.87 μm for Ar*) is demonstrated via the atomic diffraction by a non-magnetic 2μm-period reflection grating. The combination of the non-scalar van der Waals (vdW) interaction with the Zeeman interaction generated by a static magnetic field gives rise to "vdW-Zeeman" transitions among Zeeman sub-levels. Exo-energetic transitions of this type are observed with Ne*(3P2) atoms traversing a copper micro-slit grating. They can be used as a tunable beam splitter in an inelastic Fresnel bi-prism atom interferometer.

  11. 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.


    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...

  12. Hydrogen and surface excitation in electron spectra of polyethylene (United States)

    Orosz, G. T.; Gergely, G.; Menyhard, M.; Tóth, J.; Varga, D.; Lesiak, B.; Jablonski, A.


    The inelastic mean free path (IMFP) of electrons of polyethylene was determined by elastic peak electron spectroscopy (EPES). Hydrogen cannot be detected directly by conventional electron spectroscopies, such as Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), reflection electron energy loss spectroscopy (REELS) and EPES. The evaluation of electron spectra on polyethylene (PE) and other polymers needs corrections for hydrogen and surface excitation. Electron elastic backscattering on H atoms appears in the splitting of the elastic peak, shifting and Doppler broadening of the H peak produced by recoil effect. This shift is 0.34-3.8 eV for E=0.2-2.0 keV. Experiments resulted in separating the very low H elastic signal from the background. Surface excitation is characterised by the parameter Pse( E) which was described by formulae of Tanuma, Werner and Chen, using different definitions. The Pse( E) of PE was determined by our new procedure. Si and Ag were used as reference samples for its determination by EPES experiments. Experiments were made with a HSA spectrometer of high energy resolution. Their Monte Carlo evaluation was based on the NIST 64 database and IMFP of Tanuma et al., Gries and Cumpson. Pse( E) of PE was determined by best fit of experimental parameters, comparing the different IMFPs and surface excitation correction factors of Chen and Werner et al. The criteria of best fit are the RMS deviations from the different corrections. The total backscattering spectra (elastic and inelastic) of PE, C and Cu resulted in indirect observation of H.


    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM, 88349-0059 (United States); Prieto, Carlos Allende, E-mail: [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)


    We investigated the reliability of our silicon atomic model and the influence of non-local thermodynamical equilibrium (NLTE) on the formation of neutral silicon (Si i) lines in the near-infrared (near-IR) H -band. We derived the differential Si abundances for 13 sample stars with high-resolution H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE), as well as from optical spectra, both under local thermodynamical equilibrium (LTE) and NLTE conditions. We found that the differences between the Si abundances derived from the H -band and from optical lines for the same stars are less than 0.1 dex when the NLTE effects are included, and that NLTE reduces the line-to-line scatter in the H -band spectra for most sample stars. These results suggest that our Si atomic model is appropriate for studying the formation of H -band Si lines. Our calculations show that the NLTE corrections of the Si i H -band lines are negative, i.e., the final Si abundances will be overestimated in LTE. The corrections for strong lines depend on surface gravity, and tend to be larger for giants, reaching ∼−0.2 dex in our sample, and up to ∼−0.4 dex in extreme cases of APOGEE targets. Thus, the NLTE effects should be included in deriving silicon abundances from H -band Si i lines, especially for the cases where only strong lines are available.

  14. Traps for neutral radioactive atoms

    CERN Document Server

    Sprouse, G D; Grossman, J S; Orozco, L A; Pearson, M R


    We describe several methods for efficiently injecting a small number of radioactive atoms into a laser trap. The characteristics of laser traps that make them desirable for physics experiments are discussed and several different experimental directions are described. We describe recent experiments with the alkali element Fr and point to future directions of the neutral atom trapping program.

  15. The Stair-Step Atom. (United States)

    Jordan, Thomas M.; And Others


    Presents a model of a generic atom that is used to represent the movement of electrons from lower to higher levels and vice-versa due to excitation and de-excitation of the atom. As the process of de-excitation takes place, photons represented by colored ping-pong balls are emitted, indicating the emission of light. (MDH)

  16. Atomic collisions involving pulsed positrons

    DEFF Research Database (Denmark)

    Merrison, J. P.; Bluhme, H.; Field, D.


    instantaneous intensities be achieved with in-beam accumulation, but more importantly many orders of magnitude improvement in energy and spatial resolution can be achieved using positron cooling. Atomic collisions can be studied on a new energy scale with unprecedented precion and control. The use...... of accelerators for producing intense positron pulses will be discussed in the context of atomic physics experiments....

  17. Bohmian picture of Rydberg atoms

    Indian Academy of Sciences (India)

    Abstract. Unlike the previous theoretical results based on standard quantum mechanics that established the nearly elliptical shapes for the centre-of-mass motion in Rydberg atoms using numerical simulations, we show analytically that the Bohmian trajectories in Rydberg atoms are nearly elliptical.

  18. [Characteristics analysis of human tongue reflectance spectra]. (United States)

    Zhao, Jing; Liu, Ming; Lu, Xiao-zuo; Li, Gang


    The present paper presents the spectroscopic analysis method. Eighty samples of spectra data of tongue parts with coating and without coating were collected by Usb4000 spectrometer of Ocean Optics, then comparing the spectra data of the different parts of tongue we found that there was a relation between the spectra characteristics and tongue coating, and further analysis of the spectra data showed that there was a big difference between the two parts within the wavelength range between 500 and 600 nm. It was also found that the biggest differences appear when the wavelength is 579.39 nm, and at the same time, different colors of tongue coating were also compared, and the spectrum was also quite different because of different color and thickness of the tongue coating. The experiment results show that different color, thickness, and dryness of the human tongue coating lead to different spectral characteristics, and compared with the current colorimetric method of tongue characterization, spectral reflectance can reflect more physiological and pathological information. The experiment results also indicated that the different spectral characteristics of tongue property and tongue coating will be used for further separation of these two parts, and to provide an objective analysis index for tongue coating qualitative and quantitative analysis, so as to promote the objectivity of the TCM.

  19. Computer program package for PIXE spectra evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Kajfosz, J. [Institute of Nuclear Physics, Cracow (Poland)


    The computer programs described here were developed for calculating the concentrations of elements in samples analysed by the PIXE (Proton Induced X-ray Emission) method from the X-ray spectra obtained in those analyses. (author). 10 refs, 2 figs.

  20. [Fluorescence spectra of ponceau-4R]. (United States)

    Shi, Ai-Min; Zhu, Tuo; Gu, En-Dong; Liu, Zhou-Yi; Xu, Hui


    The fluorescence spectra of ponceau 4R induced by 220-400 nm light were studied in the present paper. The result shows that ponceau 4R has four obvious fluorescence spectral peaks respectively located at 420, 530, 635 and 687 nm, each of these fluorescence spectral peaks has different best induced light, and the corresponding fluorescence spectra were listed. It was considered that this fluorescence comes from the transition n --> pi* of n electrons in the -OH and pi* --> pi of pi electrons in the naphthalene. The fluorescence spectral peaks at 420 nm come from the transition n --> pi* and the other three fluorescence spectral peaks come from pi* --> pi. But the intensity of the four fluorescence spectral peaks changes differently with the excited wavelength This paper attempted to give the expression of the four fluorescence spectral peaks based on the microcosmic mechanism. The reason for that ponceau 4R has complex fluorescence characteristic is that ponceau 4R not only has big and conjugate structure such as naphthalene and provides electron group -OH which can intensify its ability to emit fluorescence, but also absorbs electron group such as N=N which can depress its ability to emit fluorescence. Investigation on the fluorescence spectra and its characteristics will contribute to the study on the fluorescence spectra of other azo pigment and help find a new way for checking food safety.

  1. Generalized pattern spectra sensitive to spatial information

    NARCIS (Netherlands)

    Wilkinson, MHF; Kasturi, R; Laurendeau, D; Suen, C


    Morphological pattern spectra computed from granulometrics are frequently used to classify the size classes of details in textures and images. An extension of this technique, which retains information on the spatial distribution of the details in each size class is developed. Algorithms for

  2. Polarization Spectra of Extrasolar Giant Planets

    NARCIS (Netherlands)

    Stam, D.M.


    We present simulated spectra of the flux and degree of polarization of starlight that is reflected by extrasolar giant planets (EGPs). In particular the polarization depends strongly on the structure of the planetary atmosphere, and appears to be a valuable tool for the characterization of EGPs.

  3. Spectra of turbulent flow in cumulus cloud (United States)

    Gotoh, Toshiyuki; Saito, Izumi; Watanabe, Takeshi


    We have seamlessly simulated evolution of droplets and turbulence for about ten minutes in a small box which is ascending inside the maritime cumulus cloud. Under the prescribed vertical structure of the mean temperature and water vapor mixing ratio and the periodic boundary condition, the turbulence is computed by the DNS and the particles evolve obeying the condensation-evaporation, collision-coalescence with the hydrodynamic interaction, the Reynolds number dependent drag, and the gravitational sedimentation. It is found that the kinetic energy spectrum obeys nearly Kolmogorov spectrum k - 5 / 3 while the spectra of the temperature and water vapor mixing ratio are much shallower than k - 5 / 3. An explanation of modification of the spectra is explored by examining the droplet number density spectrum En(k , t) and the condensation rate spectrum ECd(k , t) . Two spectra are very similar to each other, nearly k1 at low wavenumber range and k-α , 1 droplets and temperature and water vapor mixing ratio through the condensation-evaporation yields the shallow spectra. Comparison with the data observed at mountain top is also made. JSPS Kakenhi 15H02218, HPCI hp160085 and hp170189, JHPCN jh170013.

  4. Exploring the Morphology of RAVE Stellar Spectra

    NARCIS (Netherlands)

    Matijevic, G.; Zwitter, T.; Bienayme, O.; Bland-Hawthorn, J.; Boeche, C.; Freeman, K. C.; Gibson, B. K.; Gilmore, G.; Grebel, E. K.; Helmi, A.; Munari, U.; Navarro, J.; Parker, Q. A.; Reid, W.; Seabroke, G.; Siebert, A.; Siviero, A.; Steinmetz, M.; Watson, F. G.; Williams, M.; Wyse, R. F. G.

    The RAdial Velocity Experiment (RAVE) is a medium-resolution (R similar to 7500) spectroscopic survey of the Milky Way that has already obtained over half a million stellar spectra. They present a randomly selected magnitude-limited sample, so it is important to use a reliable and automated


    NARCIS (Netherlands)



    Raman spectra of human dental calculus have been observed for the first time by use of micro-Raman spectroscopy. The spectral features of calculus were influenced easily by heating caused by laser irradiation. Therefore, the measurements were carried out at relatively low power (5 mW, 1-mu m spot

  6. Discriminating Dysarthria Type from Envelope Modulation Spectra (United States)

    Liss, Julie M.; LeGendre, Sue; Lotto, Andrew J.


    Purpose: Previous research demonstrated the ability of temporally based rhythm metrics to distinguish among dysarthrias with different prosodic deficit profiles (J. M. Liss et al., 2009). The authors examined whether comparable results could be obtained by an automated analysis of speech envelope modulation spectra (EMS), which quantifies the…

  7. Infrared spectra, thermogravimetric analysis and antifungal studies ...

    African Journals Online (AJOL)

    O, FeCl3.6H2O and Cu(CH3COO)2.2H2O in a mixture of an ethanol-bidistilled water (1:1), at 60 °C. They were characterized by melting point, molar conductivity, magnetic moment, elemental analysis, infrared spectra and thermal analyses.

  8. Atoms in astrophysics

    CERN Document Server

    Eissner, W; Hummer, D; Percival, I


    It is hard to appreciate but nevertheless true that Michael John Seaton, known internationally for the enthusiasm and skill with which he pursues his research in atomic physics and astrophysics, will be sixty years old on the 16th of January 1983. To mark this occasion some of his colleagues and former students have prepared this volume. It contains articles that de­ scribe some of the topics that have attracted his attention since he first started his research work at University College London so many years ago. Seaton's association with University College London has now stretched over a period of some 37 years, first as an undergraduate student, then as a research student, and then, successively, as Assistant Lecturer, Lecturer, Reader, and Professor. Seaton arrived at University College London in 1946 to become an undergraduate in the Physics Department, having just left the Royal Air Force in which he had served as a navigator in the Pathfinder Force of Bomber Command. There are a number of stories of ho...

  9. Deep atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Barnard, H.; Drake, B.; Randall, C.; Hansma, P. K. [Department of Physics, University of California, Santa Barbara, California 93106 (United States)


    The Atomic Force Microscope (AFM) possesses several desirable imaging features including the ability to produce height profiles as well as two-dimensional images, in fluid or air, at high resolution. AFM has been used to study a vast selection of samples on the scale of angstroms to micrometers. However, current AFMs cannot access samples with vertical topography of the order of 100 μm or greater. Research efforts have produced AFM scanners capable of vertical motion greater than 100 μm, but commercially available probe tip lengths are still typically less than 10 μm high. Even the longest probe tips are below 100 μm and even at this range are problematic. In this paper, we present a method to hand-fabricate “Deep AFM” probes with tips of the order of 100 μm and longer so that AFM can be used to image samples with large scale vertical topography, such as fractured bone samples.

  10. Effect of atomic vacancies on ionic polarization of nonstoichiometric strontium titanate ceramics (United States)

    Sase, Ryuichi; Hoshina, Takuya; Takeda, Hiroaki; Tsurumi, Takaaki


    We prepared nonstoichiometric strontium titanate with different Sr/Ti atomic ratios and measured the THz dielectric spectra to discuss the effect of atomic vacancies on the ionic polarization. In the presence of atomic vacancies in strontium titanate, the lattice volume increased and the dielectric permittivity decreased. The expansion of the lattice volume originated from repulsion between oxygen vacancies and cations or between cation vacancies and O ions, causing the reduction in the covalency of the Ti-O bond. In addition, THz dielectric spectra and first-principles calculation revealed that the reduction of permittivity is mainly explained by the hardening of the Slater-type phonon mode. In the presence of oxygen- and titanium-vacancies, the repulsion of the Ti-O bond increased, and then the ionic polarization due to the Slater mode decreased.

  11. Atom mapping with constraint programming. (United States)

    Mann, Martin; Nahar, Feras; Schnorr, Norah; Backofen, Rolf; Stadler, Peter F; Flamm, Christoph


    Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the "Atom Mapping Problem" of finding this bijection is left as an important computational task for many practical applications in computational chemistry and systems biology. Elementary chemical reactions feature a cyclic imaginary transition state (ITS) that imposes additional restrictions on the bijection between educt and product atoms that are not taken into account by previous approaches. We demonstrate that Constraint Programming is well-suited to solving the Atom Mapping Problem in this setting. The performance of our approach is evaluated for a manually curated subset of chemical reactions from the KEGG database featuring various ITS cycle layouts and reaction mechanisms.

  12. Exotic objects of atomic physics (United States)

    Eletskii, A. V.


    There has been presented a short survey of physical properties, methods of production and exploration as well as directions of practical usage of the objects of atomic physics which are not yet described in detail in modern textbooks and manuals intended for students of technical universities. The family of these objects includes negative and multicharged ions, Rydberg atoms, excimer molecules, clusters. Besides of that, in recent decades this family was supplemented with new nanocarbon structures such as fullerenes, carbon nanotubes and graphene. The textbook “Exotic objects of atomic physics” [1] edited recently contains some information on the above-listed objects of the atomic physics. This textbook can be considered as a supplement to classic courses of atomic physics teaching in technical universities.

  13. Advanced Spectral Library (ASTRAL): Atomic Fluorescence in Cool, Evolved Stars (United States)

    Carpenter, Ken G.; Nielsen, Krister E.; Kober, Gladys V.; Rau, Gioia


    The "Advanced Spectral Library (ASTRAL) Project: Cool Stars" (PI = T. Ayres) collected a definitive set of representative, high-resolution (R~46,000 in the FUV up to ~1700 Å, R~30,000 for 1700-2150 Å, and R~114,000 >2150 Å) and high signal/noise (S/N>100) UV spectra of eight F-M evolved cool stars. These extremely high-quality STIS UV echelle spectra are available from the HST archive and from the Univ. of Colorado ( and will enable investigations of a broad range of problems -- stellar, interstellar, and beyond -- for many years. In this paper, we extend our study of the very rich emission-line spectra of the four evolved K-M stars in the sample, Beta Gem (K0 IIIb), Gamma Dra (K5 III), Gamma Cru (M3.4 III), and Alpha Ori (M2 Iab), to study the atomic fluorescence processes operating in their outer atmospheres. We summarize the pumping transitions and fluorescent line products known on the basis of previous work (e.g. Carpenter 1988, etc.) and newly identified in our current, on-going analysis of these extraordinary ASTRAL STIS spectra.

  14. Mid-infrared spectra of comet nuclei (United States)

    Kelley, Michael S. P.; Woodward, Charles E.; Gehrz, Robert D.; Reach, William T.; Harker, David E.


    Comet nuclei and D-type asteroids have several similarities at optical and near-IR wavelengths, including near-featureless red reflectance spectra, and low albedos. Mineral identifications based on these characteristics are fraught with degeneracies, although some general trends can be identified. In contrast, spectral emissivity features in the mid-infrared provide important compositional information that might not otherwise be achievable. Jovian Trojan D-type asteroids have emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 μm thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis reveals no evidence for a coma or tail at the time of observation, suggesting the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74-0.83, are systematically lower than the Jupiter-family comet population mean of 1.03 ± 0.11, derived from 16- and 22-μm photometry. We suggest this may be either an artifact of the spectral reduction, or the consequence of an emissivity low near 16 μm. When the spectra are normalized by the NEATM model, a weak 10-μm silicate plateau is evident, with a shape similar to those seen in mid-infrared spectra of D-type asteroids. A silicate plateau is also evident in previously published Spitzer spectra of the nucleus of comet 9P/Tempel 1. We compare, in detail, these comet nucleus emission features to those seen in spectra of the Jovian Trojan D-types (624) Hektor, (911) Agamemnon, and (1172) Aneas, as well

  15. Atomic form factor for twisted vortex photons interacting with atoms (United States)

    Guthrey, Pierson; Kaplan, Lev; McGuire, J. H.


    The relatively new atomic form factor for twisted (vortex) beams, which carry orbital angular momentum (OAM), is considered and compared to the conventional atomic form factor for plane-wave beams that carry only spin angular momentum. Since the vortex symmetry of a twisted photon is more complex that that of a plane wave, evaluation of the atomic form factor is also more complex for twisted photons. On the other hand, the twisted photon has additional parameters, including the OAM quantum number, ℓ, the nodal radial number, p, and the Rayleigh range, zR, which determine the cone angle of the vortex. This Rayleigh range may be used as a variable parameter to control the interaction of twisted photons with matter. Here we address (i) normalization of the vortex atomic form factor, (ii) displacement of target atoms away from the center of the beam vortex, and (iii) formulation of transition probabilities for a variety of photon-atom processes. We attend to features related to experiments that can test the range of validity and accuracy of calculations of these variations of the atomic form factor. Using the absolute square of the form factor for vortex beams, we introduce a vortex factor that can be directly measured.

  16. The Tübingen Model-Atom Database: A Revised Aluminum Model Atom and its Application for the Spectral Analysis of White Dwarfs (United States)

    Löbling, L.


    Aluminum (Al) nucleosynthesis takes place during the asymptotic-giant-branch (AGB) phase of stellar evolution. Al abundance determinations in hot white dwarf stars provide constraints to understand this process. Precise abundance measurements require advanced non-local thermodynamic stellar-atmosphere models and reliable atomic data. In the framework of the German Astrophysical Virtual Observatory (GAVO), the Tübingen Model-Atom Database (TMAD) contains ready-to- use model atoms for elements from hydrogen to barium. A revised, elaborated Al model atom has recently been added. We present preliminary stellar-atmosphere models and emergent Al line spectra for the hot white dwarfs G191-B2B and RE 0503-289.

  17. Atomic Configuration and Conductance of Tantalum Single-Atom Contacts and Single-Atom Wires (United States)

    Kizuka, Tokushi; Murata, Satoshi


    The tensile deformation and successive fracture process of tantalum (Ta) nanocontacts (NCs) while applying various bias voltages was observed in situ by high-resolution transmission electron microscopy using a picometer-precision dual-goniometer nanotip manipulation technique. Simultaneously, the variation in the conductance of the contacts was measured. The NCs were thinned atom by atom during mechanical elongation, resulting in the formation of two types of single-atom cross-sectional contacts: single-atom contacts (SACs) and single-atom wires (SAWs), in which two electrodes, typically nanotips, are connected by a single shared atom or a one-line array of single atoms, respectively. When the bias voltage was 11 mV, Ta SACs were formed during tensile deformation; however, elongation of the single-atom cross-sectional part did not occur. In contrast, when the bias voltage was increased to 200 mV, Ta SACs were first formed during the tensile deformation, followed by elongation of the single-atom cross section up to a length of three atoms, i.e., the formation of SAWs. Thus, the present observation shows that Ta SAWs are stable even at such a high bias voltage. The conductance of the SACs was approximately 0.10G0 (G0 = 2e2/h, where e is the electron charge and h is Planck’s constant), whereas the conductance of the three-atom-long SAWs ranged from 0.01G0 to 0.22G0. Lower conductances were observed for linear SAWs, whereas higher conductances resulted from kinked SAWs.

  18. Improving interpretation of infrared spectra for OM characterization by subtraction of spectra from incinerated samples (United States)

    Ellerbrock, Ruth H.; Gerke, Horst H.; Leue, Martin


    Non-destructive methods such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFT) have been applied to characterize organic matter (OM) at intact structural surfaces among others. However, it is often difficult to distinguish effects of organic components on DRIFT signal intensities from those of mineral components. The objective of this study was to re-evaluate DRIFT spectra from intact earthworm burrow walls and coated cracks to improve the interpretation of C-H and C=O bands. We compared DRIFT and transmission Fourier transform infrared (FTIR) spectra of entire samples that were from the same pedogenetic soil horizon, but different in mineral composition and texture (i.e., glacial till versus loess). Spectra of incinerated samples were subtracted from the original spectra. Transmission FTIR and DRIFT spectra were almost identical for entire soil samples. However, the DRIFT spectra were affected by the bulk mode bands (i.e., wavenumbers 2000 to 1700 cm-1) that affected spectral resolution and reproducibility. The ratios between C-H and C=O band intensities as indicator for OM quality obtained with DRIFT were smaller than those obtained from transmission FTIR. A spectral subtraction procedure was found to reduce effects of mineral absorption bands on DRIFT spectra allowing an improved interpretation. DRIFT spectroscopy as a non-destructive method for analyzing OM composition at intact surfaces in structured soils could be calibrated with information obtained with the more detailed transmission FTIR and complementary methods.

  19. Evaluating the New Automatic Method for the Analysis of Absorption Spectra Using Synthetic Spectra

    Directory of Open Access Journals (Sweden)

    Matthew B. Bainbridge


    Full Text Available We recently presented a new “artificial intelligence” method for the analysis of high-resolution absorption spectra (Bainbridge and Webb, Mon. Not. R. Astron. Soc. 2017, doi:10.1093/mnras/stx179. This new method unifies three established numerical methods: a genetic algorithm (GVPFIT; non-linear least-squares optimisation with parameter constraints (VPFIT; and Bayesian Model Averaging (BMA. In this work, we investigate the performance of GVPFIT and BMA over a broad range of velocity structures using synthetic spectra. We found that this new method recovers the velocity structures of the absorption systems and accurately estimates variation in the fine structure constant. Studies such as this one are required to evaluate this new method before it can be applied to the analysis of large sets of absorption spectra. This is the first time that a sample of synthetic spectra has been utilised to investigate the analysis of absorption spectra. Probing the variation of nature’s fundamental constants (such as the fine structure constant, through the analysis of absorption spectra, is one of the most direct ways of testing the universality of physical laws. This “artificial intelligence” method provides a way to avoid the main limiting factor, i.e., human interaction, in the analysis of absorption spectra.

  20. Optically polarized atoms understanding light-atom interactions

    CERN Document Server

    Auzinsh, Marcis; Rochester, Simon M


    This book is addressed at upper-level undergraduate and graduate students involved in research in atomic, molecular, and optical Physics. It will also be useful to researchers practising in this field. It gives an intuitive, yet sufficiently detailed and rigorous introduction to light-atom interactions with a particular emphasis on the symmetry aspects of the interaction, especially those associated with the angular momentum of atoms and light. The book will enable readers to carryout practical calculations on their own, and is richly illustrated with examples drawn from current research topic

  1. Atomic and Electronic Structure of Defects in Semiconductors. (United States)


    Ultramicroscopy, (1981) Vol 7, p. 59-64. 3. "Electron Energy Loss Spectroscopy as a probe of the Local Atomic Environment" O.L. Krivanek , M.M. Disko, J...Electron Energy-Loss Spectra, M.M. Disko, O.L. Krivanek and P. Rez, Phys. Rev. B15, #6, p. 4252 (1982). 8. "Electronic Structure of the Unreconstructed 30...and Preliminary Orientation Depencence Results" M. Disko, 0. Krivanek and J.C.H. Spence, Proc. EMSA, 1981. G.W. Bailey, Ed, Claitors Publishing Division

  2. Atoms, Light, and Lasers (United States)

    Bellac, Michel Le


    Up to now, the spatial properties of quantum particles played no more than a secondary role: we only needed the de Broglie relation (1.4) which gives the quantum particles wavelength, and our discussion of the quantum properties of photons was based mainly on their polarization, which is an internal degree of freedom of the photon. The probability amplitudes which we used did not involve the positions or velocities of the particles, which are spatial, or external degrees of freedom. In the present chapter, we shall introduce spatial dependence by defining probability amplitudes a(ěc r) that are functions of the position ěc r. In full generality, a(ěc r) is a complex number, but we shall avoid this complication and discuss only cases where the probability amplitudes may be taken real. For simplicity, we also limit ourselves to particles propagating along a straight line, which we take as the Ox axis: x will define the position of the particle and the corresponding probability amplitude will be a function of x, a(x). In our discussion, we shall need to introduce the so-called potential well, where a particle travels back and forth between two points on the straight line. One important particular case is the infinite well, where the particle is confined between two infinitely high walls over which it cannot pass. This example is not at all academic, and we shall meet it again in Chapter 6 when explaining the design of a laser diode! Furthermore, it will allow us to introduce the notion of energy level, to write down the Heisenberg inequalities, to understand the interaction of a light wave with an atom and finally to explain schematically the principles of the laser.

  3. Qualitative and quantitative validation of the SINBAD code on complex HPGe gamma-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Rohee, E.; Coulon, R.; Normand, S.; Carrel, F. [CEA, LIST, Laboratoire Capteurs et Architectures electroniques, F-91191 Gif-sur-Yvette, (France); Dautremer, T.; Barat, E.; Montagu, T. [CEA, LIST, Laboratoire Modelisation, Simulation et Systemes, F-91191 Gif-sur-Yvette, (France); Jammes, C. [CEA/DEN/SPEx/LDCI, Centre de Cadarache, F-13109 Saint-Paul-lez-Durance, (France)


    Radionuclides identification and quantification is a serious concern for many applications as safety or security of nuclear power plant or fuel cycle facility, CBRN risk identification, environmental radioprotection and waste measurements. High resolution gamma-ray spectrometry based on HPGe detectors is a performing solution for all these topics. During last decades, a great number of software has been developed to improve gamma spectra analysis. However, some difficulties remain in the analysis when photoelectric peaks are folded together with a high ratio between theirs amplitudes, when the Compton background is much larger compared to the signal of a single peak and when spectra are composed of a great number of peaks. This study deals with the comparison between conventional methods in radionuclides identification and quantification and the code called SINBAD ('Spectrometrie par Inference Non parametrique Bayesienne Deconvolutive'). For many years, SINBAD has been developed by CEA LIST for unfolding complex spectra from HPGe detectors. Contrary to conventional methods using fitting procedures, SINBAD uses a probabilistic approach with Bayesian inference to describe spectrum data. This conventional fitting method founded for example in Genie 2000 is compared with the nonparametric SINBAD approach regarding some key figures of merit as the peak centroid evaluation (identification) and peak surface evaluation (quantification). Unfriendly cases are studied for nuclides detection with closed gamma-rays energies and high photoelectric peak intensity differences. Tests are performed with spectra from the International Atomic Energy Agency (IAEA) for gamma spectra analysis software benchmark and with spectra acquired at the laboratory. Results show that SINBAD and Genie 2000 performances are quite similar with sometimes best results for SINBAD with the important difference that to achieve same performances the nonparametric method is user-friendly compared

  4. Electronic structure of atoms: atomic spectroscopy information system (United States)

    Kazakov, V. V.; Kazakov, V. G.; Kovalev, V. S.; Meshkov, O. I.; Yatsenko, A. S.


    The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (, and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists.

  5. High-order-harmonic generation in atomic and molecular systems (United States)

    Suárez, Noslen; Chacón, Alexis; Pérez-Hernández, Jose A.; Biegert, Jens; Lewenstein, Maciej; Ciappina, Marcelo F.


    High-order-harmonic generation (HHG) results from the interaction of ultrashort laser pulses with matter. It configures an invaluable tool to produce attosecond pulses, moreover, to extract electron structural and dynamical information of the target, i.e., atoms, molecules, and solids. In this contribution, we introduce an analytical description of atomic and molecular HHG, that extends the well-established theoretical strong-field approximation (SFA). Our approach involves two innovative aspects: (i) First, the bound-continuum and rescattering matrix elements can be analytically computed for both atomic and multicenter molecular systems, using a nonlocal short range model, but separable, potential. When compared with the standard models, these analytical derivations make possible to directly examine how the HHG spectra depend on the driven media and laser-pulse features. Furthermore, we can turn on and off contributions having distinct physical origins or corresponding to different mechanisms. This allows us to quantify their importance in the various regions of the HHG spectra. (ii) Second, as reported recently [N. Suárez et al., Phys. Rev. A 94, 043423 (2016), 10.1103/PhysRevA.94.043423], the multicenter matrix elements in our theory are free from nonphysical gauge- and coordinate-system-dependent terms; this is accomplished by adapting the coordinate system to the center from which the corresponding time-dependent wave function originates. Our SFA results are contrasted, when possible, with the direct numerical integration of the time-dependent Schrödinger equation in reduced and full dimensionality. Very good agreement is found for single and multielectronic atomic systems, modeled under the single active electron approximation, and for simple diatomic molecular systems. Interference features, ubiquitously present in every strong-field phenomenon involving a multicenter target, are also captured by our model.

  6. [Synthesis, characterization and study on vibration spectra of potassium triborate]. (United States)

    Zhang, Jin-Ping; Sun, Yong; Yang, Gang; Li, Zuo-Hu


    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.

  7. Line broadening in the neutral and ionized mercury spectra (United States)

    Gavrilov, M.; Skočić, M.; Burger, M.; Bukvić, S.; Djeniže, S.


    The neutral, singly, doubly and triply ionized mercury (Hg I-IV, respectively) spectral line shapes and line center positions have been investigated in the laboratory helium plasma at electron densities ranging between 9.3 × 1022 m-3 and 1.93 × 1023 m-3 and electron temperatures around 19,500 K, both interesting for astrophysics. The mercury (natural isotope composition) atoms were sputtered from the cylindrical amalgamated gold plates located in the homogenous part of the pulsed helium discharge operating at a pressure of 665 Pa in a flowing regime. The mercury spectral line profiles were recorded using the McPherson model 209 spectrograph and the Andor ICCD camera as the detection system. This research presents Stark broadening parameters, the width (W) and the shift (d), of one Hg I, 19 Hg II, 6 Hg III and 4 Hg IV lines, not investigated so far. Our experimental W values were compared with the data calculated applying various approaches. The shape and intensity of astrophysically important 398.4 nm Hg II spectral line was discussed taking into account the isotope shift, hyperfine structure and Penning effects. At the mentioned plasma parameters the Stark broadening is found to be a main line broadening mechanism of the lines (λ > 200 nm) in the Hg I-IV spectra.

  8. Absorption spectra of superconducting qubits driven by bichromatic microwave fields (United States)

    Pan, Jiazheng; Jooya, Hossein Z.; Sun, Guozhu; Fan, Yunyi; Wu, Peiheng; Telnov, Dmitry A.; Chu, Shih-I.; Han, Siyuan


    We report experimental observation of two distinct quantum interference patterns in the absorption spectra when a transmon superconducting qubit is subjected to a bichromatic microwave field with the same Rabi frequencies. Within the two-mode Floquet formalism with no dissipation processes, we propose a graph-theoretical representation to model the interaction Hamiltonian for each of these observations. This theoretical framework provides a clear visual representation of various underlying physical processes in a systematic way beyond rotating-wave approximation. The presented approach is valuable to gain insights into the behavior of multichromatic field driven quantum two-level systems, such as two-level atoms and superconducting qubits. Each of the observed interference patterns is represented by appropriate graph products on the proposed color-weighted graphs. The underlying mechanisms and the characteristic features of the observed fine structures are identified by the transitions between the graph vertices, which represent the doubly dressed states of the system. The good agreement between the numerical simulation and experimental data confirms the validity of the theoretical method. Such multiphoton interference may be used in manipulating the quantum states and/or generate nonclassical microwave photons.

  9. Quantum Electronics for Atomic Physics

    CERN Document Server

    Nagourney, Warren


    Quantum Electronics for Atomic Physics provides a course in quantum electronics for researchers in atomic physics. The book covers the usual topics, such as Gaussian beams, cavities, lasers, nonlinear optics and modulation techniques, but also includes a number of areas not usually found in a textbook on quantum electronics. It includes such practical matters as the enhancement of nonlinear processes in a build-up cavity, impedance matching into a cavity, laser frequencystabilization (including servomechanism theory), astigmatism in ring cavities, and atomic/molecular spectroscopic techniques

  10. Fundamentals in hadronic atom theory

    CERN Document Server

    Deloff, A


    Hadronic atoms provide a unique laboratory for studying hadronic interactions essentially at threshold. This text is the first book-form exposition of hadronic atom theory with emphasis on recent developments, both theoretical and experimental. Since the underlying Hamiltonian is a non-self-adjoined operator, the theory goes beyond traditional quantum mechanics and this book covers topics that are often glossed over in standard texts on nuclear physics. The material contained here is intended for the advanced student and researcher in nuclear, atomic or elementary-particle physics. A good know

  11. Laser-Assisted Atom Probe Tomography of Deformed Minerals: A Zircon Case Study. (United States)

    La Fontaine, Alexandre; Piazolo, Sandra; Trimby, Patrick; Yang, Limei; Cairney, Julie M


    The application of atom probe tomography to the study of minerals is a rapidly growing area. Picosecond-pulsed, ultraviolet laser (UV-355 nm) assisted atom probe tomography has been used to analyze trace element mobility within dislocations and low-angle boundaries in plastically deformed specimens of the nonconductive mineral zircon (ZrSiO4), a key material to date the earth's geological events. Here we discuss important experimental aspects inherent in the atom probe tomography investigation of this important mineral, providing insights into the challenges in atom probe tomography characterization of minerals as a whole. We studied the influence of atom probe tomography analysis parameters on features of the mass spectra, such as the thermal tail, as well as the overall data quality. Three zircon samples with different uranium and lead content were analyzed, and particular attention was paid to ion identification in the mass spectra and detection limits of the key trace elements, lead and uranium. We also discuss the correlative use of electron backscattered diffraction in a scanning electron microscope to map the deformation in the zircon grains, and the combined use of transmission Kikuchi diffraction and focused ion beam sample preparation to assist preparation of the final atom probe tip.

  12. Dynamic molecular structure retrieval from low-energy laser-induced electron diffraction spectra (United States)

    Vu, Dinh-Duy T.; Phan, Ngoc-Loan T.; Hoang, Van-Hung; Le, Van-Hoang


    A recently developed quantitative rescattering theory showed that a laser-free elastic cross section can be separated from laser-induced electron diffraction (LIED) spectra. Based upon this idea, Blaga et al investigated the possibility of reconstructing molecular structure from LIED spectra (2012 Nature 483 7388). In the above study, an independent atoms model (IAM) was used to interpret high-energy electron–molecule collisions induced by a mid-infrared laser. Our research aims to extend the application range of this structural retrieval method to low-energy spectra induced by more common near-infrared laser sources. The IAM is insufficient in this case, so we switch to a more comprehensive model—the multiple scattering (MS) theory. From the original version concerning only neutral targets, we upgrade the model so that it is compatible with electron–ion collisions at low energy. With available LIED experiment data of CO2 and O2, the upgraded MS is shown to be greatly effective as a tool for molecular imaging from spectra induced by a near-infrared laser. The captured image is at about 2 fs after the ionization, shorter than the period 4–6 fs by using the mid-infrared laser in Blaga’s experiment.

  13. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol (United States)

    Moorthi, P. P.; Gunasekaran, S.; Swaminathan, S.; Ramkumaar, G. R.


    A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule.

  14. Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation. (United States)

    Seibert, Jakob; Bannwarth, Christoph; Grimme, Stefan


    A fully quantum mechanical (QM) treatment to calculate electronic absorption (UV-vis) and circular dichroism (CD) spectra of typical biomolecules with thousands of atoms is presented. With our highly efficient sTDA-xTB method, spectra averaged along structures from molecular dynamics (MD) simulations can be computed in a reasonable time frame on standard desktop computers. This way, nonequilibrium structure and conformational, as well as purely quantum mechanical effects like charge-transfer or exciton-coupling, are included. Different from other contemporary approaches, the entire system is treated quantum mechanically and neither fragmentation nor system-specific adjustment is necessary. Among the systems considered are a large DNA fragment, oligopeptides, and even entire proteins in an implicit solvent. We propose the method in tandem with experimental spectroscopy or X-ray studies for the elucidation of complex (bio)molecular structures including metallo-proteins like myoglobin.

  15. An MS-DOS-based program for analyzing plutonium gamma-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Ruhter, W.D.; Buckley, W.M.


    A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, a data-analysis application to analyze plutonium gamma-ray spectra, for plutonium isotopic ratios and weight percents of total plutonium, and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 3 contains the software listings for these applications.

  16. AtomPy: an open atomic-data curation environment (United States)

    Bautista, Manuel; Mendoza, Claudio; Boswell, Josiah S; Ajoku, Chukwuemeka


    We present a cloud-computing environment for atomic data curation, networking among atomic data providers and users, teaching-and-learning, and interfacing with spectral modeling software. The system is based on Google-Drive Sheets, Pandas (Python Data Analysis Library) DataFrames, and IPython Notebooks for open community-driven curation of atomic data for scientific and technological applications. The atomic model for each ionic species is contained in a multi-sheet Google-Drive workbook, where the atomic parameters from all known public sources are progressively stored. Metadata (provenance, community discussion, etc.) accompanying every entry in the database are stored through Notebooks. Education tools on the physics of atomic processes as well as their relevance to plasma and spectral modeling are based on IPython Notebooks that integrate written material, images, videos, and active computer-tool workflows. Data processing workflows and collaborative software developments are encouraged and managed through the GitHub social network. Relevant issues this platform intends to address are: (i) data quality by allowing open access to both data producers and users in order to attain completeness, accuracy, consistency, provenance and currentness; (ii) comparisons of different datasets to facilitate accuracy assessment; (iii) downloading to local data structures (i.e. Pandas DataFrames) for further manipulation and analysis by prospective users; and (iv) data preservation by avoiding the discard of outdated sets.

  17. Gamma-ray Spectra of Starburst Galaxies (United States)

    Moncada, Roberto Jose; Paglione, Timothy


    Starburst galaxies offer a unique window into the nature of star formation, its driving forces, and the energetic interactions within the galaxy. Their supernovae enrich the surrounding environment with cosmic rays that interact with the interstellar medium and galactic magnetic fields producing gamma-rays and non-thermal radio emission. We generated gamma-ray spectra for the 7 brightest starburst galaxies using 8.6 years of Pass 8 Large Area Telescope (LAT) data from the Fermi Gamma-ray Space Telescope. In addition to new detections, we will report on the results of simultaneously modeling the gamma-ray and radio spectra. These results confirm prior studies favoring high magnetic field strengths in the starburst regions.

  18. Strategies for Interpreting Two Dimensional Microwave Spectra (United States)

    Martin-Drumel, Marie-Aline; Crabtree, Kyle N.; Buchanan, Zachary


    Microwave spectroscopy can uniquely identify molecules because their rotational energy levels are sensitive to the three principal moments of inertia. However, a priori predictions of a molecule's structure have traditionally been required to enable efficient assignment of the rotational spectrum. Recently, automated microwave double resonance spectroscopy (AMDOR) has been employed to rapidly generate two dimensional spectra based on transitions that share a common rotational level, which may enable automated extraction of rotational constants without any prior estimates of molecular structure. Algorithms used to date for AMDOR have relied on making several initial assumptions about the nature of a subset of the linked transitions, followed by testing possible assignments by "brute force." In this talk, we will discuss new strategies for interpreting AMDOR spectra, using eugenol as a test case, as well as prospects for library-free, automated identification of the molecules in a volatile mixture.

  19. Cathodoluminescence spectra of gallium nitride nanorods. (United States)

    Tsai, Chia-Chang; Li, Guan-Hua; Lin, Yuan-Ting; Chang, Ching-Wen; Wadekar, Paritosh; Chen, Quark Yung-Sung; Rigutti, Lorenzo; Tchernycheva, Maria; Julien, François Henri; Tu, Li-Wei


    Gallium nitride [GaN] nanorods grown on a Si(111) substrate at 720°C via plasma-assisted molecular beam epitaxy were studied by field-emission electron microscopy and cathodoluminescence [CL]. The surface topography and optical properties of the GaN nanorod cluster and single GaN nanorod were measured and discussed. The defect-related CL spectra of GaN nanorods and their dependence on temperature were investigated. The CL spectra along the length of the individual GaN nanorod were also studied. The results reveal that the 3.2-eV peak comes from the structural defect at the interface between the GaN nanorod and Si substrate. The surface state emission of the single GaN nanorod is stronger as the diameter of the GaN nanorod becomes smaller due to an increased surface-to-volume ratio.

  20. Polarization in astronomical spectra - Theoretical evidence (United States)

    Fymat, A. L.


    Theoretical evidence for the existence and behavior of polarization in astronomical spectra is provided. The theory for the study of spectral multiple scattering of arbitrarily polarized light is first developed, and the detailed and integrated spectropolarimetry of a planetary atmosphere is then studied for cases in which the spectra are formed in the presence of either very small nonspherical particles (Rayleigh-Cabannes scattering) or large polydisperse spherical particles (Mie scattering). It is shown in both cases that polarization is indeed present; it increases with the line strength but decreases afterwards as the line becomes very strong and tends to saturation. A polarization reversal is also predicted during latitudinal (pole-to-equator) scan and possibly also during longitudinal (terminator-to-limb) scan of the planet. The reversal happened at all phase angles considered. Our companion article (Forbes and Fymat) will provide observational substantiation to these theoretical predictions.

  1. Dynamical analysis of highly excited molecular spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kellman, M.E. [Univ. of Oregon, Eugene (United States)


    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  2. High Resolution Spectra of HE Detonations (United States)


    region. We shall assume for present purposes that the emissivity of the detonation products of a 50 to 100 lb HE explosion is also in the viciity of... speed . Incorporated in the emulsion layers are dye forming coup- lers which react simultaneously during I , developmentto produce a separate dye S...Best Available Cop 1~EV~ AFTAC-TR-80-24 HIGH RESOLUTION SPECTRA OF HE DETONATIONS HSS Inc 2 Alfred Circle Bedford, MA 01730 7 JULY 1980 AUG 4 9D

  3. Understanding the baryon and meson spectra

    Energy Technology Data Exchange (ETDEWEB)

    Pennington, Michael R. [JLAB


    A brief overview is given of what we know of the baryon and meson spectra, with a focus on what are the key internal degrees of freedom and how these relate to strong coupling QCD. The challenges, experimental, theoretical and phenomenological, for the future are outlined, with particular reference to a program at Jefferson Lab to extract hadronic states in which glue unambiguously contributes to their quantum numbers.

  4. Molecular Dynamics and Spectra. II. Diatomic Raman. (United States)


    a degeneracy factor g is introduced which depends on the symmetry of the molecule For our IT- homonuclear diatomic, z is gj, the nuclear spin...classi~a mechanical viewpoint. with some caveats for features In which anharmonicity is important, such as the de- tailed shape of Q branches. it compute the Spectra of coa- plex molecular systems, for example of large molecules , clusters, liquids, solutions, and solids. Second, this

  5. Dimer-atom-atom recombination in the universal four-boson system


    Deltuva, A.


    The dimer-atom-atom recombination process in the system of four identical bosons with resonant interactions is studied. The description uses the exact Alt, Grassberger and Sandhas equations for the four-particle transition operators that are solved in the momentum-space framework. The dimer-dimer and atom-trimer channel contributions to the ultracold dimer-atom-atom recombination rate are calculated. The dimer-atom-atom recombination rate greatly exceeds the three-atom recombination rate.

  6. Janus spectra in two-dimensional flows

    CERN Document Server

    Liu, Chien-Chia; Chakraborty, Pinaki


    In theory, large-scale atmospheric flows, soap-film flows and other two-dimensional flows may host two distinct types of turbulent energy spectra---in one, $\\alpha$, the spectral exponent of velocity fluctuations, equals $3$ and the fluctuations are dissipated at the small scales, and in the other, $\\alpha=5/3$ and the fluctuations are dissipated at the large scales---but measurements downstream of obstacles have invariably revealed $\\alpha = 3$. Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which $\\alpha$ has transitioned from $3$ to $5/3$ for the streamwise fluctuations but remains equal to $3$ for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows...

  7. Analysis of positron lifetime spectra in polymers (United States)

    Singh, Jag J.; Mall, Gerald H.; Sprinkle, Danny R.


    A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

  8. The ultraviolet spectra of the Jovian aurora

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.; Dalgarno, A. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138 (United States)


    The ultraviolet spectra of molecular hydrogen H{sub 2} due to electron impact excitation are calculated and compared with the high-resolution (0.56 A) spectra of the Jovian aurora obtained with the {ital Hubble} {ital Space} {ital Telescope} Goddard High-Resolution Spectrograph. All the observed features are reproduced by electron impact excitation emissions of H{sub 2}, and the predicted intensities agree well with the observed intensities. Accurate molecular parameters are used, and effects of secondary electrons are included. The auroral emissions are reproduced by energetic electron impact excitation of H{sub 2} with a temperature of 400{endash}600 K. Large temperature gradients occur with respect to altitude within the auroral emission regions. The auroral spectra contain a cascade contribution to the Lyman band emission from high-lying {ital E} and {ital F} states that are populated by the low-energy secondary electrons produced as the energetic auroral electrons slow down. {copyright} {ital 1996 The American Astronomical Society.}

  9. Neutral atom traps of radioactives

    CERN Document Server

    Behr, J A


    Neutral atoms trapped with modern laser cooling techniques offer the promise of improving several broad classes of experiments with radioactive isotopes. In nuclear beta decay, neutrino spectroscopy from beta-recoil coincidences, along with highly polarized samples, enable experiments to search for non-Standard Model interactions, test whether parity symmetry is maximally violated, and search for new sources of time reversal violation. Ongoing efforts at TRIUMF, Los Alamos and Berkeley will be highlighted. The traps also offer bright sources for Doppler-free spectroscopy, particularly in high-Z atoms where precision measurements could measure the strength of weak neutral nucleon-nucleon and electron-nucleon interactions. Physics with francium atoms has been vigorously pursued at Stony Brook. Several facilities plan work with radioactive atom traps; concrete plans and efforts at KVI Groningen and Legnaro will be among those summarized. Contributions to the multidisciplinary field of trace analysis will be left...

  10. PubChem atom environments. (United States)

    Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H


    Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

  11. Atomic layer deposition for semiconductors

    CERN Document Server

    Hwang, Cheol Seong


    This edited volume discusses atomic layer deposition (ALD) for all modern semiconductor devices, moving from the basic chemistry of ALD and modeling of ALD processes to sections on ALD for memories, logic devices, and machines.

  12. Rydberg atoms: Two to tango (United States)

    Löw, Robert


    The old adage that you can't tango alone is certainly true for humans. But recent experiments show that it may also be applicable to Rydberg atoms, which keep a beat through the coherent exchange of energy.

  13. High-energy atomic physics

    CERN Document Server

    Drukarev, Evgeny G


    This self-contained text introduces readers to the field of high-energy atomic physics - a new regime of photon-atom interactions in which the photon energies significantly exceed the atomic or molecular binding energies, and which opened up with the recent advent of new synchrotron sources. From a theoretical point of view, a small-parameter characteristic of the bound system emerged, making it possible to perform analytic perturbative calculations that can in turn serve as benchmarks for more powerful numerical computations. The first part of the book introduces readers to the foundations of this new regime and its theoretical treatment. In particular, the validity of the small-parameter perturbation expansion and of the lowest-order approximation is critically reviewed. The following chapters then apply these insights to various atomic processes, such as photoionization as a many-body problem, dominant mechanisms for the production of ions at higher energies, Compton scattering and ionization accompanied b...

  14. Inorganic WS{sub 2} nanotubes revealed atom by atom using ultra-high-resolution transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bar Sadan, Maya; Heidelmann, Markus; Houben, Lothar [Forschungszentrum Juelich GmbH, Institute of Solid State Research and Ernst Ruska Centre for Microscopy and Spectroscopy with Electrons, Juelich (Germany); Tenne, Reshef [Weizmann Institute of Science, Materials and Interfaces Department, Rehovot (Israel)


    The characterization of nanostructures to the atomic dimensions becomes more important, as devices based on a single particle are being produced. In particular, inorganic nanotubes were shown to host interesting properties making them excellent candidates for various devices. The WS{sub 2} nanotubes outperform the bulk in their mechanical properties offering numerous applications especially as part of high strength nanocomposites. In contrast, their electrical properties are less remarkable. The structure-function relationship can be investigated by aberration-corrected high-resolution transmission electron microscopy (HRTEM), which enables the insight into their atomic structure as well as performing spectroscopic measurements down to the atomic scale. In the present work, the deciphering of atomic structure and the chiral angle of the different shells in a multiwall WS{sub 2} nanotube is demonstrated. In certain cases, the helicity of the structure can also be deduced. Finally, first electron energy loss spectra (EELS) of a single tube are presented, acquired by a new acquisition technique that allows for high spatial resolution (denoted StripeSTEM). The measured band gap values correspond with the values found in literature for thin films, obtained by spectroscopic techniques, and are higher than the values resulting from STM measurements. (orig.)

  15. Resonant Photoemission and M_{2,3}-Absorption Spectra in Nickel Dichloride (United States)

    Igarashi, J.

    Ni 3p-resonant photoemission and Ni M_{2,3}-absorption spectra are calculated in detail on a cluster of (NiCl_6)^{4-} with the use of the transition matrix elements evaluated on the Herman-Skillman potential in Ni atom. Overall spectral shape agrees well with experiment, allowing a determination of the parameters which characterize Ni 3d and Cl 3p states. Resonance behavior is discussed near the Ni 3p-core level photothreshold. The resonant enhancement is found to be larger for the peak with higher binding energy in the d^7-multiplets.

  16. Photoemission spectra and electronic properties of K sub x C sub 60

    Energy Technology Data Exchange (ETDEWEB)

    Wertheim, G.K.; Rowe, J.E.; Buchanan, D.N.E.; Chaban, E.E.; Hebard, A.F.; Kortan, A.R.; Makhija, A.V.; Haddon, R.C. (AT and T Bell Labs., Murray Hill, NJ (United States))


    Photoemission spectra of vacuum deposited layers of C{sub 60}, before and after exposure to K vapor, show that the K donates its conduction electron into the band derived from the lowest unoccupied molecular orbital. A compound with composition of K{sub 3}C{sub 60}, corresponding to the maximum conductivity, has been prepared. In it the potassium atoms presumably occupy both the octahedral and the two tetrahedral interstitial sites of the face-centered-cubic (fcc) C{sub 60} structure.

  17. DFT study on the Raman spectra of Fe(II-porphin

    Directory of Open Access Journals (Sweden)

    Hovorun D. M.


    Full Text Available DFT quantum-chemical calculations of the Raman spectra of Fe(II-porphin in quintet (ground state were performed. Spin-unrestricted UB3LYP functional in 6-311G basis was used for geometry optimization and Raman calculation. All active modes of Raman spectrum were analyzed in detail. It was noted that the insertion of Fe(II ion into porphin leads to the considerable changes in frequencies and intensities for those vibrational modes which involve nitrogen atoms displacement. The Raman depolarization ratio for plane polarized incident light is discussed

  18. Application of smooth exterior scaling method to calculate the high harmonic generation spectra. (United States)

    Kalita, Dhruba J; Gupta, Ashish K


    We have calculated the high harmonic generation spectra from Xe atom by imposing different kinds of absorbing potentials. Owing to the center of inversion of the model system, one should get odd harmonics only. However, using negative imaginary potentials as an absorbing boundary condition, we have also got even order harmonics along with the odd order harmonics. These non-odd order harmonics are generated due to the spurious reflections occurring at the grid boundary. On the contrary, when smooth exterior scaling methods are used as an absorbing boundary condition, only odd order harmonics are obtained. Hence, smooth exterior scaling methods impose proper absorbing boundary condition.

  19. Modeling IR spectra of CO2 isotopologues and CH4 trapped In type I clathrate

    Directory of Open Access Journals (Sweden)

    Lakhlifi A.


    Full Text Available To test the hypothesis of atmospheric carbon dioxide or methane storage in metastable clathrate, a theoretical formalism is developed to model and simulate the spectra of the CO2 or CH4 molecule trapped in clathrates. 12-6 Lennard-Jones atomatom potentials are used to account for short and long range interactions between the atoms of the trapped molecules and atoms of H2O molecules of the cage. Effective electric charges are used for electrostatic interactions with H2O molecules. The calculations were performed on clathrates of type I, with a small and a large cage to determine equilibrium configurations for both CO2 and CH4 and vibrational shifts were determined for CO2 in an undistorted trapping nano-cage.

  20. Accurate high-harmonic spectra from time-dependent two-particle reduced density matrix theory

    CERN Document Server

    Lackner, Fabian; Sato, Takeshi; Ishikawa, Kenichi L; Burgdörfer, Joachim


    The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger systems. In this paper we present a fully three-dimensional implementation of the time-dependent two-particle reduced density matrix (TD-2RDM) method for many-electron atoms. We benchmark this approach by a comparison with multi-configurational time-dependent Hartree-Fock (MCTDHF) results for the harmonic spectra of beryllium and neon. We show that the TD-2RDM is very well-suited to describe the non-linear atomic response and to reveal the influence of electron-correlation effects.

  1. Lattice dynamics of quasi-two-dimensional CdSe nanoplatelets and their Raman and infrared spectra (United States)

    Lebedev, Alexander I.


    Phonon spectra of CdSe nanoplatelets (2-6 ML) with the zinc-blende structure were calculated from first principles within the density-functional theory. It turned out that the Lamb modes in nanoplatelets are in fact optical rather than acoustic vibrations. Phonon spectra of the nanoplatelets show the appearance of a large number of low-frequency modes inherited from TA phonons in bulk CdSe. Calculations of the Raman spectra indicate a need to revise the interpretation of available experimental data. The largest contribution to the Raman spectra is provided by the quasi-Lamb modes with the A1 symmetry. The B2 modes whose frequencies depend on the environment of nanoplatelets and whose properties are closest to the properties of LO phonons explain the results obtained in the "nanoparticle-on-mirror" geometry. The features in Raman spectra previously attributed to surface optical (SO) modes should be interpreted as a manifestation of lower-order quasi-Lamb A1 modes. Calculations of the infrared spectra find, in addition to the TO phonon line, the appearance of intense lines from surface modes originating from terminating F(Cl) atoms on the surface of nanoplatelets and true SO modes.

  2. Chain formation of metal atoms

    DEFF Research Database (Denmark)

    Bahn, Sune Rastad; Jacobsen, Karsten Wedel


    The possibility of formation of single-atomic chains by manipulation of nanocontacts is studied for a selection of metals (Ni, Pd, Pt, Cu, Ag, Au). Molecular dynamics simulations show that the tendency for chain formation is strongest for Au and Pt. Density functional theory calculations indicate...... that the metals which form chains exhibit pronounced many-atom interactions with strong bonding in low coordinated systems....

  3. Copper atomic-scale transistors

    Directory of Open Access Journals (Sweden)

    Fangqing Xie


    Full Text Available We investigated copper as a working material for metallic atomic-scale transistors and confirmed that copper atomic-scale transistors can be fabricated and operated electrochemically in a copper electrolyte (CuSO4 + H2SO4 in bi-distilled water under ambient conditions with three microelectrodes (source, drain and gate. The electrochemical switching-on potential of the atomic-scale transistor is below 350 mV, and the switching-off potential is between 0 and −170 mV. The switching-on current is above 1 μA, which is compatible with semiconductor transistor devices. Both sign and amplitude of the voltage applied across the source and drain electrodes (Ubias influence the switching rate of the transistor and the copper deposition on the electrodes, and correspondingly shift the electrochemical operation potential. The copper atomic-scale transistors can be switched using a function generator without a computer-controlled feedback switching mechanism. The copper atomic-scale transistors, with only one or two atoms at the narrowest constriction, were realized to switch between 0 and 1G0 (G0 = 2e2/h; with e being the electron charge, and h being Planck’s constant or 2G0 by the function generator. The switching rate can reach up to 10 Hz. The copper atomic-scale transistor demonstrates volatile/non-volatile dual functionalities. Such an optimal merging of the logic with memory may open a perspective for processor-in-memory and logic-in-memory architectures, using copper as an alternative working material besides silver for fully metallic atomic-scale transistors.

  4. Rydberg Atom Quantum Hybrid Systems (United States)

    Chao, Yuanxi; Sheng, Jiteng; Kumar, Santosh; Bigelow, Nicholas P.; Shaffer, James P.


    We report on our recent experimental and theoretical work with Rydberg atom-cavity and Rydberg atom-surface hybrid quantum systems. In the atom-cavity system, Rb contained in a dipole trap is transported into a high-finesse optical cavity using a focus-tunable lens. Cavity assisted Rydberg EIT is observed in the cavity transmission and used to characterize the electric fields in the cavity. The electric fields are attributed to surface adsorbates adhering to the cavity mirrors. We also investigate the coupling of a Rydberg atom ensemble to surface phonon polaritons (SPhPs) propagating on piezoelectric superlattices made from thin film ferroelectric materials. Strong coupling between the atomic and surface excitations can be achieved, due to the large Rydberg transition dipole moments and the local field enhancement of the SPhP modes. The system has many advantages for information transport since the atoms need only be placed at distances on the order of mms from the surface and the SPhPs do not couple to free space electro-magnetic fields. Experimental progress will be discussed, including the fabrication of submicron-period periodically poled Lithium Niobate using the direct e-beam writing technique. This work is supported by AFOSR.

  5. Spectra-structure correlations from the infrared spectra of some transition metal complexes of 8-hydroxyquinoline (United States)

    Engelter, Carola; Jackson, Graham E.; Knight, Cheryl L.; Thornton, David A.


    The IR spectra of twenty-one transition metal complexes of 8-hydroxyquinoline over the range 700-50 cm -1 are discussed in relation to their known or inferred structures. The complexes are of three types: (a) the bis(aquo) complexes of the 3 d metal(II) ions trans-[M(ox) 2(H 2O) 2] (M = Mn, Fe, Co, Ni, Cu, Zn); (b) the corresponding anhydrous complexes, [M(ox) 2] (M = Mn, Co, Ni, Cu, Zn); and (c) the complexes of the metal(III) ions, [M(ox) 3] (M = Sc, V, Cr, Mn, Fe, Co, Ga). 8-Hydroxyquinoline- d7 has been synthesized and used to assist in the metal-ligand assignments which are further based on 64,68Zn labelling of the bis(aquo) zinc complex and on the effects of metal ion substitution in relation to expectations based on crystal field theory. The effects of Jahn-Teller distortion on the spectra of the complexes of Cu(II) and Mn(III) are discussed. The spectra of the bis(aquo) adducts support the previously proposed trans-octahedral structure. The spectra of the anhydrous complexes are consistent with tetrahedral Mn, Ni and Zn but suggest that the Co complex has polymeric octahedral coordination rather than the previously-proposed tetrahedral structure. The six-coordinate α-Cu complex and five-coordinate β-Cu complex exhibit distinctive differences in their spectra which support the elongated axial Cu-O bonds observed in crystal structure determinations. The spectra of the metal(III) tris(oxinates) are consistent with the facial ( cis-cis) coordination previously proposed. The spectra of these complexes are discussed in relation to bonding considerations based on crystal field theory.

  6. Atomic Transition Probabilities in TiI (United States)

    Nitz, David E.; Siewert, Lowell K.; Schneider, Matthew N.


    We have measured branching fractions and atomic transition probabilities in TiI for 50 visible and near-IR transitions which connect odd-parity levels lying 25000 cm-1 to 27000 cm-1 above the ground state to low-lying even parity levels. Branching fractions are obtained from the analysis of six hollow cathode emission spectra recorded using the Fourier transform spectrometer at the National Solar Observatory, supplemented in cases susceptible to radiation-trapping problems by conventional emission spectroscopy using a commercial sealed lamp operated at very low discharge current. The absolute scale for normalizing the branching fractions is established using radiative lifetimes from time-resolved laser-induced fluorescence measurements.(S. Salih and J.E. Lawler, Astronomy and Astrophysics 239, 407 (1990).) Uncertainties of the transition probabilities range from ±5% for the stronger branches to ±20% for the weaker ones. Among the 16 lines for which previously-measured transition probabilities are listed in the NIST critical compilation,(G. A. Martin, J. R. Fuhr, and W. L. Wiese, J. Phys. Chem. Ref. Data 17, Suppl. 3, 85 (1988).) several significant discrepancies are noted.

  7. Atomic Models for Motional Stark Effects Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Gu, M F; Holcomb, C; Jayakuma, J; Allen, S; Pablant, N A; Burrell, K


    We present detailed atomic physics models for motional Stark effects (MSE) diagnostic on magnetic fusion devices. Excitation and ionization cross sections of the hydrogen or deuterium beam traveling in a magnetic field in collisions with electrons, ions, and neutral gas are calculated in the first Born approximation. The density matrices and polarization states of individual Stark-Zeeman components of the Balmer {alpha} line are obtained for both beam into plasma and beam into gas models. A detailed comparison of the model calculations and the MSE polarimetry and spectral intensity measurements obtained at the DIII-D tokamak is carried out. Although our beam into gas models provide a qualitative explanation for the larger {pi}/{sigma} intensity ratios and represent significant improvements over the statistical population models, empirical adjustment factors ranging from 1.0-2.0 must still be applied to individual line intensities to bring the calculations into full agreement with the observations. Nevertheless, we demonstrate that beam into gas measurements can be used successfully as calibration procedures for measuring the magnetic pitch angle through {pi}/{sigma} intensity ratios. The analyses of the filter-scan polarization spectra from the DIII-D MSE polarimetry system indicate unknown channel and time dependent light contaminations in the beam into gas measurements. Such contaminations may be the main reason for the failure of beam into gas calibration on MSE polarimetry systems.

  8. Atom-by-Atom Construction of a Quantum Device. (United States)

    Petta, Jason R


    Scanning tunneling microscopes (STMs) are conventionally used to probe surfaces with atomic resolution. Recent advances in STM include tunneling from spin-polarized and superconducting tips, time-domain spectroscopy, and the fabrication of atomically precise Si nanoelectronics. In this issue of ACS Nano, Tettamanzi et al. probe a single-atom transistor in silicon, fabricated using the precision of a STM, at microwave frequencies. While previous studies have probed such devices in the MHz regime, Tettamanzi et al. probe a STM-fabricated device at GHz frequencies, which enables excited-state spectroscopy and measurements of the excited-state lifetime. The success of this experiment will enable future work on quantum control, where the wave function must be controlled on a time scale that is much shorter than the decoherence time. We review two major approaches that are being pursued to develop spin-based quantum computers and highlight some recent progress in the atom-by-atom fabrication of donor-based devices in silicon. Recent advances in STM lithography may enable practical bottom-up construction of large-scale quantum devices.

  9. [Influence of cold spot temperature on 253.7 nm resonance spectra line of electrodeless discharge lamps]. (United States)

    Dong, Jin-yang; Zhang, Gui-xin; Wang, Chang-quan


    As a kind of new electric light source, electrodeless discharge lamps are of long life, low mercury and non-stroboscopic light. The lighting effect of electrodeless discharge lamps depends on the radiation efficiency of 253.7 nm resonance spectra line to a large extent. The influence of cold temperature on 253.7 nm resonance spectra line has been studied experimentally by atomic emission spectral analysis. It was found that the radiation efficiency of 253.7 nm resonance spectra line is distributed in a nearly normal fashion with the variation of cold spot temperature, in other words, there is an optimum cold spot temperature for an electrodeless discharge lamp. At last, the results of experiments were analyzed through gas discharge theory, which offers guidance to the improvement of lighting effect for electrodeless discharge lamps.

  10. Van der Waals universality in homonuclear atom-dimer elastic collisions

    CERN Document Server

    Giannakeas, P


    The universal aspects of atom-dimer elastic collisions are investigated within the framework of Faddeev equations. The two-body interactions between the neutral atoms are approximated by the separable potential approach. Our analysis considers a pure van der Waals potential tail as well as soft-core van der Waals interactions permitting us in this manner to address the universally general features of atom-dimer resonant spectra. In particular, we show that the atom-dimer resonances are solely associated with the {\\it excited} Efimov states. Furthermore, the positions of the corresponding resonances for a soft-core potentials with more than 5 bound states are in good agreement with the corresponding results from an infinitely deep pure van der Waals tail potential.

  11. Vacuum ultraviolet radiation/atomic oxygen synergism in fluorinated ethylene propylene Teflon erosion (United States)

    Stiegman, A. E.; Brinza, David E.; Laue, Eric G.; Anderson, Mark S.; Liang, Ranty H.


    A micrographic investigation is reported of samples of the fluorinated ethylene propylene (FEP) Teflon thermal-blanketing materials recovered from the Long-Duration Exposure Facility (LDEF) satellite. The samples are taken from the trailing edge and row 8 which correspond to exposures to vacuum UV (VUV) and VUV + atomic O, respectively. Data are taken from SEM and IR-spectra observations, and the LDEF leading-edge FEP shows a high degree of erosion, roughening, and sharp peaks angled in the direction of the flow of atomic O. The trailing edge sample influenced primarily by VUV shows a hard brittle layer and some cracked mosaic patterns. Comparisons to a reference sample suggest that the brittle layer is related to exposure to VUV and is removed by atomic-O impingement. Polymers that are stable to VUV radiation appear to be more stable in terms of atomic oxygen.

  12. Peculiarities of FeSi phonon spectrum induced by a change of atomic volume

    Energy Technology Data Exchange (ETDEWEB)

    Parshin, P. P., E-mail:, E-mail:; Chumakov, A. I.; Alekseev, P. A. [National Research Center Kurchatov Institute (Russian Federation); Nemkovski, K. S. [Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Sciences (JCNS), Heinz Maier-Leibnitz Zentrum (MLZ) (Germany); Dubrovinskii, L. [Universität Bazreuth, Bayerisches Geoinstitut (Germany); Kantor, A. [European Synchrotron Radiation Facility (France); Perßon, J. [JARA-FIT Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science (JCNS) and Peter Grünberg Institut (PGI) (Germany); Rüffer, R. [European Synchrotron Radiation Facility (France)


    We analyze in detail the results of experimental investigations of the evolution of the thermal vibration spectra for iron atoms in iron monosilicide FeSi depending on two external parameters, viz., temperature T (in the range 46–297 K at pressure P = 0.1 MPa) and pressure P (in the range 0.1 MPa–43 GPa at temperature T = 297 K), obtained by nuclear inelastic scattering of synchrotron radiation. The decrease of the atomic volume is accompanied by a rearrangement of the phonon spectrum, which is manifested, in particular, in the splitting of the low-energy peak in the spectrum and in an increase of the energy for all phonons. The changes of the average energy of the iron atom vibrational spectrum and of the Debye energy with decreasing atomic volume are analyzed. Different versions of FeSi electron spectrum variation, which can be used to explain the observed phonon anomalies, are considered.

  13. Electron-atom potential scattering assisted by a bichromatic elliptically polarized laser field (United States)

    Korajac, Arman; Habibović, Dino; Čerkić, Aner; Busuladžić, Mustafa; Milošević, Dejan B.


    Electron-atom potential scattering assisted by a bichromatic (two-component) elliptically polarized laser field is analyzed in the frame of the S-matrix theory. The second Born approximation is applied in the expansion of the S-matrix element. The first term in the expansion corresponds to the single scattering, while the second term in the expansion corresponds to the double scattering of electrons on atomic targets. The double scattering is possible in the presence of a laser field. The electron that has scattered on an atomic target may be driven back by the laser field and scatter again on the same atom. The double-scattered electrons may have considerably higher energies than those that scattered only once. We have investigated the dependence of the energy spectrum on various laser-field and incident electron parameters. The calculated electron energy spectra show the plateau-like structures with abrupt cutoffs. These cutoffs are explained by a classical analysis.

  14. Classification of specialty seed meals from NIR reflectance spectra (United States)

    Near infrared reflectance spectroscopy was used to identify alternative seed meals proposed for food and feed formulations. Spectra were collected from cold pressed Camelina (Camelina sativa), Coriander (Coriandrum sativum), and Pennycress (Thlaspi arvense) meals. Additional spectra were collected ...

  15. Evaluation of secondary and prompt fission neutron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Porodzinskij, Yu.V.; Sukhovitskij, E.Sh. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)


    A simple model allowing to split neutron emission spectra into reaction partials is suggested. Predicted spectra of (n,n`{gamma}), (n,n`f), etc appear to be much harder than usually evaluated. (author)

  16. Photon and photoneutron spectra produced in radiotherapy Linacs

    Energy Technology Data Exchange (ETDEWEB)

    Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Calle Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Martinez O, S. A. [Universidad Pedagogica y Tecnologica de Colombia, Grupo de Fisica Nuclear Aplicada y Simulacion, Av. Central del Norte Km. 1, Via Paipa Tunja, Boyaca (Colombia); Benites R, J. L. [Universidad Autonoma de Nayarit, Postgrado CBAP, Carretera Tepic Compostela Km. 9, Xalisco, Nayarit (Mexico); Lallena, A. M., E-mail: [Universida de Granada, Departamento de Fisica Atomica, Molecular y Nuclear, E-18071 Granada (Spain)


    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10{sup -6} and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

  17. QSFIT: automatic analysis of optical AGN spectra (United States)

    Calderone, G.; Nicastro, L.; Ghisellini, G.; Dotti, M.; Sbarrato, T.; Shankar, F.; Colpi, M.


    We present QSFIT (Quasar Spectral Fitting package), a new software package to automatically perform the analysis of active galactic nuclei (AGNs) optical spectra. The software provides luminosity estimates for the AGN continuum, the Balmer continuum, both optical and ultraviolet iron blended complex, host galaxy and emission lines, as well as width, velocity offset and equivalent width of 20 emission lines. Improving on a number of previous studies on AGN spectral analysis, QSFIT fits all the components simultaneously, using an AGN continuum model which extends over the entire available spectrum, and is thus a probe of the actual AGN continuum whose estimates are scarcely influenced by localized features (e.g. emission lines) in the spectrum. We used QSFIT to analyse 71 251 optical spectra of Type 1 AGN at z < 2 (obtained by the Sloan Digital Sky Survey, SDSS) and to produce a publicly available catalogue of AGN spectral properties. Such catalogue allowed us (for the first time) to estimate the AGN continuum slope and the Balmer continuum luminosity on a very large sample, and to show that there is no evident correlation between these quantities the redshift. All data in the catalogue, the plots with best-fitting model and residuals, and the IDL code we used to perform the analysis, are available on a dedicated website. The whole fitting process is customizable for specific needs, and can be extended to analyse spectra from other data sources. The ultimate purpose of QSFIT is to allow astronomers to run standardized recipes to analyse the AGN data, in a simple, replicable and shareable way.

  18. Characterizing Sky Spectra Using SDSS BOSS Data (United States)

    Florez, Lina Maria; Strauss, Michael A.


    In the optical/near-infrared spectra gathered by a ground-based telescope observing very faint sources, the strengths of the emission lines due to the Earth’s atmosphere can be many times larger than the fluxes of the sources we are interested in. Thus the limiting factor in faint-object spectroscopy is the degree to which systematics in the sky subtraction can be minimized. Longwards of 6000 Angstroms, the night-sky spectrum is dominated by multiple vibrational/rotational transitions of the OH radical from our upper atmosphere. While the wavelengths of these lines are the same in each sky spectrum, their relative strengths vary considerably as a function of time and position on the sky. The better we can model their strengths, the better we can hope to subtract them off. We expect that the strength of lines from common upper energy levels will be correlated with one another. We used flux-calibrated sky spectra from the Sloan Digital Sky Survey Baryon Oscillation Spectroscopic Survey (SDSS BOSS) to explore these correlations. Our aim is to use these correlations for creating improved sky subtraction algorithms for the Prime Focus Spectrograph (PFS) on the 8.2-meter Subaru Telescope. When PFS starts gathering data in 2019, it will be the most powerful multi-object spectrograph in the world. Since PFS will be gathering data on sources as faint as 24th magnitude and fainter, it's of upmost importance to be able to accurately measure and subtract sky spectra from the data that we receive.

  19. Quantum chaos in ultracold collisions of gas-phase erbium atoms. (United States)

    Frisch, Albert; Mark, Michael; Aikawa, Kiyotaka; Ferlaino, Francesca; Bohn, John L; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana


    Atomic and molecular samples reduced to temperatures below one microkelvin, yet still in the gas phase, afford unprecedented energy resolution in probing and manipulating the interactions between their constituent particles. As a result of this resolution, atoms can be made to scatter resonantly on demand, through the precise control of a magnetic field. For simple atoms, such as alkalis, scattering resonances are extremely well characterized. However, ultracold physics is now poised to enter a new regime, where much more complex species can be cooled and studied, including magnetic lanthanide atoms and even molecules. For molecules, it has been speculated that a dense set of resonances in ultracold collision cross-sections will probably exhibit essentially random fluctuations, much as the observed energy spectra of nuclear scattering do. According to the Bohigas-Giannoni-Schmit conjecture, such fluctuations would imply chaotic dynamics of the underlying classical motion driving the collision. This would necessitate new ways of looking at the fundamental interactions in ultracold atomic and molecular systems, as well as perhaps new chaos-driven states of ultracold matter. Here we describe the experimental demonstration that random spectra are indeed found at ultralow temperatures. In the experiment, an ultracold gas of erbium atoms is shown to exhibit many Fano-Feshbach resonances, of the order of three per gauss for bosons. Analysis of their statistics verifies that their distribution of nearest-neighbour spacings is what one would expect from random matrix theory. The density and statistics of these resonances are explained by fully quantum mechanical scattering calculations that locate their origin in the anisotropy of the atoms' potential energy surface. Our results therefore reveal chaotic behaviour in the native interaction between ultracold atoms.

  20. The spectra and dynamics of diatomic molecules

    CERN Document Server

    Lefebvre-Brion, Helene


    This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's ca

  1. Spaces of orderings and abstract real spectra

    CERN Document Server

    Marshall, Murray A


    This book is of interest to students as well as experts in the area of real algebraic geometry, quadratic forms, orderings, valuations, lattice ordered groups and rings, and in model theory. The original motivation comes from orderings on fields and commutative rings. This is explained as is the important application to minimal generation of semi-algebraic sets. Many results in the new theory of abstract real spectra (also called spaces of signs) appear here for the first time. The reader needs elementary knowledge of commutative rings, ordered fields and real closed fields and valuations.

  2. Interactive computer analysis of nuclear backscattering spectra (United States)

    Saunders, Philip A.; Ziegler, J. F.


    A review will be made of a computer-based interactive nuclear backscattering analysis system. Users without computer experience can develop moderate competence with the system after only brief instruction because of the menu-driven organization. Publishable quality figures can be obtained without any computer expertise. Among the quantities which can be displayed over the data are depth scales for any element, element identification, relative concentrations and theoretical spectra. Captions and titling can made from a selection of 30 font styles. Lettering is put on the graphs under joy-stick control such that placement is exact without needing complicated commands.

  3. Beamstrahlung spectra in next generation linear colliders

    Energy Technology Data Exchange (ETDEWEB)

    Barklow, T.; Chen, P. (Stanford Linear Accelerator Center, Menlo Park, CA (United States)); Kozanecki, W. (DAPNIA-SPP, CEN-Saclay (France))


    For the next generation of linear colliders, the energy loss due to beamstrahlung during the collision of the e{sup +}e{sup {minus}} beams is expected to substantially influence the effective center-of-mass energy distribution of the colliding particles. In this paper, we first derive analytical formulae for the electron and photon energy spectra under multiple beamstrahlung processes, and for the e{sup +}e{sup {minus}} and {gamma}{gamma} differential luminosities. We then apply our formulation to various classes of 500 GeV e{sup +}e{sup {minus}} linear collider designs currently under study.

  4. Interpreting peptide mass spectra by VEMS

    DEFF Research Database (Denmark)

    Mathiesen, Rune; Lundsgaard, M.; Welinder, Karen G.


    of peptide MS/MS spectra imported in text file format. Peaks are annotated, the monoisotopic peaks retained, and the b-and y-ion series identified in an interactive manner. The called peptide sequence is searched against a local protein database for sequence identity and peptide mass. The report compares...... the calculated and the experimental mass spectrum of the called peptide. The program package includes four accessory programs. VEMStrans creates protein databases in FASTA format from EST or cDNA sequence files. VEMSdata creates a virtual peptide database from FASTA files. VEMSdist displays the distribution...

  5. Quark Spectra, Topology, and Random Matrix Theory

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, R.G.; Heller, U.M. [SCRI, Florida State University, Tallahassee, Florida 32306-4130 (United States); Kiskis, J. [Department of Physics, University of California, Davis, California 95616 (United States); Narayanan, R. [Department of Physics, Building 510A, Brookhaven National Laboratory, P.O. Box 5000, Upton, New York 11973 (United States)


    Quark spectra in QCD are linked to fundamental properties of the theory including the identification of pions as the Goldstone bosons of spontaneously broken chiral symmetry. The lattice overlap Dirac operator provides a nonperturbative, ultraviolet-regularized description of quarks with the correct chiral symmetry. Properties of the spectrum of this operator and their relation to random matrix theory are studied here. In particular, the predictions from chiral random matrix theory in topologically nontrivial gauge field sectors are tested for the first time. {copyright} {ital 1999} {ital The American Physical Society}

  6. Boundary layer heights derived from velocity spectra

    Energy Technology Data Exchange (ETDEWEB)

    Hoejstrup, J.; Barthelmie, R.J. [Risoe National Lab., Roskilde (Denmark); Kaellstrand, B. [Univ. of Uppsala, Uppsala (Sweden)


    It is a well-known fact that the height of the mixed layer determines the size of the largest and most energetic eddies that can be observed in the unstable boundary layer, and consequently a peak can be observed in the power spectra of the along-wind velocity component at scales comparable to the mixed layer depth. We will now show how the mixed layer depth can be derived from the u-specta and the results will be compared with direct measurements using pibal and tethersonde measurements. (au)

  7. Symmetry in bonding and spectra an introduction

    CERN Document Server

    Douglas, Bodie E


    Many courses dealing with the material in this text are called ""Applications of Group Theory."" Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustra

  8. Conductance Spectra in Graphene-Superconductor Junctions (United States)

    Tian, Jie; Zhou, Shi-Ping; Deng, Zhen-Yan


    The conductance spectra of a graphene ribbon and graphene-superconductor (G-S) junctions are investigated, using the tight-binding model and non-equilibrium Green' function formalism. It is found that the quantized conductance related to graphene' edge-states is robust against perturbations in the model parameters for a graphene monolayer ribbon with the zigzag boundary. With appropriate model parameter of the spin-orbit interaction strength, a new bound state with odd-frequency symmetry is found in the G-S junction. An enhancement in the zero-energy conductance amplitude is followed.

  9. Removing The Instrument Function From Fluorescence Spectra (United States)

    Childs, Andrew F.


    The spectrum acquired at the sample phototnultiplier tube of a fluorescence spectrophotometer is a product of the sample spectrum and the instrument function. The determination of the instrument function and its removal from the acquired spectrum is often critical to the accurate determination of the physical properties of the sample. Methods are discussed for the determination and removal of the instrument function from excitation and emission spectra. Methods considered include quantum counters and ratio circuits for excitation correction, and emission correction against calibrated excitation systems, calibrated tungsten lamps, and NBS standard quinine sulfate.

  10. Wave spectra of strongly coupled magnetized plasmas (United States)

    Kaehlert, Hanno; Reynolds, Alexi; Ott, Torben; Bonitz, Michael


    Results are presented for the wave propagation in a strongly coupled, magnetized one-component plasma. For different angles of the wave vector with respect to the external magnetic field we discuss the dispersion and polarization based on the quasi-localized charge approximation (QLCA). Further, the results of the QLCA are compared with molecular dynamics simulations, extending previous results for two-dimensional systems, e.g.,. The dependence of the wave spectra on the coupling parameter and the magnetic field strength is examined. Support by the Deutsche Forschungsgemeinschaft via SFB-TR 24 and DAAD via the RISE program is acknowledged.

  11. Atomic-cascade experiment with detection of the recoil atom

    Energy Technology Data Exchange (ETDEWEB)

    Huelga, S.F. (Dept. de Fisica, Univ. de Oviedo (Spain)); Ferrero, M. (Dept. de Fisica, Univ. de Oviedo (Spain)); Santos, E. (Dept. de Fisica Moderna, Univ. de Cantabria (Spain))


    Bell's inequalities cannot be violated in atomic-cascade experiments, even with ideal apparatus, due to the three-body character of the atomic decay. Here we propose a new experiment that would block this loophole by means of a suitable selection of an ensemble of photon pairs. A threshold value for the quantum efficiency is found which may allow the discrimination between quantum mechanics and local-hidden-variables theories. Experimental requirements for performing such a test are discussed. (orig.).

  12. Recent results in quantum chaos and its applications to atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, J M G; Relano, A; Retamosa, J [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Faleiro, E; Munoz, L [Departamento de Fisica Aplicada, E. U. I. T. Industrial, Universidad Politecnica de Madrid, E-28012 Madrid (Spain); Molina, R A, E-mail: [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain)


    A survey of chaotic dynamics in atomic nuclei is presented, using on the one hand standard statistics of quantum chaos studies, and on the other a new approach based on time series analysis methods. The study of shell-model spectra in the pf shell shows that nuclear chaos is strongly isospin dependent and increases with excitation energy. On the other hand, it is found that chaotic quantum systems exhibit 1/f noise and regular systems exhibit 1/f{sup 2} behaviour. It is shown that the time series approach can be used to calculate quite accurately the fraction of missing levels and the existence of mixed symmetries in experimental level spectra.

  13. Efficient transfer of francium atoms (United States)

    Aubin, Seth; Behr, John; Gorelov, Alexander; Pearson, Matt; Tandecki, Michael; Collister, Robert; Gwinner, Gerald; Shiells, Kyle; Gomez, Eduardo; Orozco, Luis; Zhang, Jiehang; Zhao, Yanting; FrPNC Collaboration


    We report on the progress of the FrPNC collaboration towards Parity Non Conservation Measurements (PNC) using francium atoms at the TRIUMF accelerator. We demonstrate efficient transfer (higher than 40%) to the science vacuum chamber where the PNC measurements will be performed. The transfer uses a downward resonant push beam from the high-efficiency capture magneto optical trap (MOT) towards the science chamber where the atoms are recaptured in a second MOT. The transfer is very robust with respect to variations in the parameters (laser power, detuning, alignment, etc.). We accumulate a growing number of atoms at each transfer pulse (limited by the lifetime of the MOT) since the push beam does not eliminate the atoms already trapped in the science MOT. The number of atoms in the science MOT is on track to meet the requirements for competitive PNC measurements when high francium rates (previously demonstrated) are delivered to our apparatus. The catcher/neutralizer for the ion beam has been tested reliably to 100,000 heating/motion cycles. We present initial tests on the direct microwave excitation of the ground hyperfine transition at 45 GHz. Support from NSERC and NRC from Canada, NSF and Fulbright from USA, and CONACYT from Mexico.

  14. Observation of relativistic antihydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Blanford, Glenn DelFosse


    An observation of relativistic antihydrogen atoms is reported in this dissertation. Experiment 862 at Fermi National Accelerator Laboratory observed antihydrogen atoms produced by the interaction of a circulating beam of high momentum (3 < p < 9 GeV/c) antiprotons and a jet of molecular hydrogen gas. Since the neutral antihydrogen does not bend in the antiproton source magnets, the detectors could be located far from the interaction point on a beamline tangent to the storage ring. The detection of the antihydrogen is accomplished by ionizing the atoms far from the interaction point. The positron is deflected by a magnetic spectrometer and detected, as are the back to back photons resulting from its annihilation. The antiproton travels a distance long enough for its momentum and time of flight to be measured accurately. A statistically significant sample of 101 antihydrogen atoms has been observed. A measurement of the cross section for {bar H}{sup 0} production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e{sup +} e{sup -} pair creation near a nucleus with the e{sup +} being captured by the antiproton. Antihydrogen is the first atom made exclusively of antimatter to be detected. The observation experiment's results are the first step towards an antihydrogen spectroscopy experiment which would measure the n = 2 Lamb shift and fine structure.

  15. Atomic memory access hardware implementations (United States)

    Ahn, Jung Ho; Erez, Mattan; Dally, William J


    Atomic memory access requests are handled using a variety of systems and methods. According to one example method, a data-processing circuit having an address-request generator that issues requests to a common memory implements a method of processing the requests using a memory-access intervention circuit coupled between the generator and the common memory. The method identifies a current atomic-memory access request from a plurality of memory access requests. A data set is stored that corresponds to the current atomic-memory access request in a data storage circuit within the intervention circuit. It is determined whether the current atomic-memory access request corresponds to at least one previously-stored atomic-memory access request. In response to determining correspondence, the current request is implemented by retrieving data from the common memory. The data is modified in response to the current request and at least one other access request in the memory-access intervention circuit.

  16. The use of synthetic spectra to test the preparedness to evaluate and analyze complex gamma spectra

    Energy Technology Data Exchange (ETDEWEB)

    Nikkinen, M [Doletom OY (Finland)


    This is the report of two exercises that were run under the NKS BOK-1.1 sub-project. In these exercises synthetic gamma spectra were developed to exercise the analysis of difficult spectra typically seen after a severe nuclear accident. The spectra were analyzed twice; first, participants were given short time to give results to resemble an actual emergency preparedness situation, then a longer period of time was allowed to tune the laboratory analysis results for quality assurance purposes. The exercise did prove that it is possible to move measurement data from one laboratory to another if second opinion of the analysis is needed. It was also felt that this kind of exercise would enhance the experience the laboratories have in analyzing accident data. Participants expressed the need for additional exercises of this type, this is inexpensive and an easy way to exercise quick emergency response situations not normally seen in daily laboratory routines. (au)

  17. Measurement of turbulence spectra using scanning pulsed wind lidars

    NARCIS (Netherlands)

    Sathe, A.; Mann, J.


    Turbulent velocity spectra, as measured by a scanning pulsed wind lidar (WindCube), are analyzed. The relationship between ordinary velocity spectra and lidar derived spectra is mathematically very complex, and deployment of the three-dimensional spectral velocity tensor is necessary. The resulting

  18. Publicly Released Prompt Radiation Spectra Suitable for Nuclear Detonation Simulations (United States)


    Publicly Released Prompt Radiation Spectra Suitable for Nuclear Detonation Simulations DISTRIBUTION A. Approved for public release; distribution is...TITLE AND SUBTITLE 5a. CONTRACT NUMBER Publicly Released Prompt Radiation Spectra Suitable for Nuclear Detonation Simulations HDTRA1-14-D...NOTES 14. ABSTRACT This technical report describes unclassified source leakage spectra that can be used to simulate a nuclear device or weapon

  19. Laser manipulation of atoms and nanofabrication

    NARCIS (Netherlands)

    Jurdík, Erich


    Fundamental interaction processes between atoms and photons are exploited to control external degrees of freedom of the atoms. Laser light, when properly tuned near an atomic resonance, exerts such forces that the atoms are repelled from or attracted to the regions with low light intensities. We use

  20. Trapping fermionic and bosonic helium atoms

    NARCIS (Netherlands)

    Stas, R.J.W.


    This thesis presents experimental and theoretical work performed at the Laser Centre of the Vrije Universiteit in Amsterdam to study laser-cooled metastable triplet helium atoms. Samples containing about 3x10^8 helium atoms-either fermionic helium-3 atoms, bosonic helium-4 atoms or mixtures

  1. Mapping SOC in a river catchment by integrating laboratory spectra wavelength with remote sensing spectra

    DEFF Research Database (Denmark)

    Peng, Yi; Xiong, Xiong; Knadel, Maria

    soil spectral features indicative of SOC from laboratory visible near-infrared reflectance (vis-NlR) spectra and incorporate them with remote sensing (RS) images to improve predictions of top SOC in the Skjem river catchment, Denmark. The secondary objective was to improve prediction results...... by separately calibrating samples from upland and wetland. We hypbthesize that final prediction accuracy is significantly improved by incorporatin1 laboratory vis-NlR images upscaled from point-based spectra to catchment scale and RS data for topsoil SOC spatial modeling....

  2. Quantitative atomic resolution mapping using high-angle annular dark field scanning transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Van Aert, S., E-mail: [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Verbeeck, J. [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Erni, R. [National Center for Electron Microscopy, Ernest Orlando Lawrence Berkeley National Laboratory, 1 Cyclotron Road, MS 72R0150, Berkeley, CA 94720 (United States); Bals, S. [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Luysberg, M. [Institute of Solid State Research and Ernst Ruska Center for Microscopy and Spectroscopy with Electrons, Helmholtz Research Center Juelich, 52425 Juelich (Germany); Dyck, D. Van; Tendeloo, G. Van [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)


    A model-based method is proposed to relatively quantify the chemical composition of atomic columns using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. The method is based on a quantification of the total intensity of the scattered electrons for the individual atomic columns using statistical parameter estimation theory. In order to apply this theory, a model is required describing the image contrast of the HAADF STEM images. Therefore, a simple, effective incoherent model has been assumed which takes the probe intensity profile into account. The scattered intensities can then be estimated by fitting this model to an experimental HAADF STEM image. These estimates are used as a performance measure to distinguish between different atomic column types and to identify the nature of unknown columns with good accuracy and precision using statistical hypothesis testing. The reliability of the method is supported by means of simulated HAADF STEM images as well as a combination of experimental images and electron energy-loss spectra. It is experimentally shown that statistically meaningful information on the composition of individual columns can be obtained even if the difference in averaged atomic number Z is only 3. Using this method, quantitative mapping at atomic resolution using HAADF STEM images only has become possible without the need of simultaneously recorded electron energy loss spectra.

  3. Cooling Atomic Gases With Disorder (United States)

    Paiva, Thereza; Khatami, Ehsan; Yang, Shuxiang; Rousseau, Valéry; Jarrell, Mark; Moreno, Juana; Hulet, Randall G.; Scalettar, Richard T.


    Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing, and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. We propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a nondisordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approach the Néel temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.

  4. Quantum tiltmeter with atom interferometry (United States)

    Xu, Wen-Jie; Zhou, Min-Kang; Zhao, Miao-Miao; Zhang, Ke; Hu, Zhong-Kun


    Matter-wave sensors with cold atoms have progressed tremendously over recent decades. We report a sensitive tilt sensor based on quantum technology employing cold atoms. This quantum tiltmeter is constructed with the configuration of a Ramsey-Bordé atom interferometer, achieving an improvement of nearly three orders of magnitude for tilt measurements with a short-term sensitivity of 1.3 μ rad/Hz 1 /2 , with resolution down to 55 nrad at an integration time of 1000 s. The deformation of the Earth's surface has been monitored in a continuous run of 31 h, showing that a quantum tiltmeter can be applied to record tilt tides and can be an valuable sensor in geophysics and various scientific facilities.

  5. Atom-specific surface magnetometry (United States)

    Sirotti, Fausto; Panaccione, Giancarlo; Rossi, Giorgio


    A powerful atom-specific surface magnetometry can be based on efficient measurements of magnetic dichroism in l>~0 core level photoemission. The temperature dependence M(T) of the Fe(100) surface magnetization was obtained from the photoemission magnetic asymmetry of 3p core levels, providing the measure of the surface exchange coupling via the spin-wave stiffness and of the surface critical exponent. Beyond the magnetic order the photoemission dichroism allows us to derive the energy splitting of the magnetic sublevels of the photoexcited core hole. Fe 3p photoemission dichroism probes directly the magnetic moment changes of iron atoms at Fe(100) surfaces as a function of structural disorder or sulfur segregation. The appearance of dichroism in the 2p photoemission of segregated sulfur atoms in the c(2×2)S/Fe(100) superstructure measures the magnetic-moment transfer and shows the possibility of investigating surface magnetochemistry in a very direct way.

  6. Lightning spectra at 100,000 fps (United States)

    McHarg, M. G.; Harley, J.; Haaland, R. K.; Edens, H. E.; Stenbaek-Nielsen, H.


    A fundamental understanding of lightning can be inferred from the spectral emissions resulting from the leader and return stroke channel. We examine an event recorded at 00:58:07 on 19 July 2015 at Langmuir Laboratory. We recorded lightning spectra using a 100 line per mm grating in front of a Phantom V2010 camera with an 85mm Nikon lens recording at 100,000 frames per second. Coarse resolution spectra (approximately 5nm resolution) are produced from approximately 400 nm to 800 nm for each frame. Electric field data from the Langmuir Electric Field Array for the 03:19:19 event show 10 V/m changes in the electric field associated with multiple return strokes visible in the spectral data. We used the spectral data to compare temperatures at the top, middle and bottom of the lightning channel. Lightning Mapping Array data at Langmuir for the 00:58:07 event show a complex flash extending 10 km in the East-West plane and 6 km in the North-South plane. The imagery data imply that this is a bolt-from-the-blue event.

  7. Non-yrast quadrupole-octupole spectra

    Directory of Open Access Journals (Sweden)

    Lenske H.


    Full Text Available A model of strongly coupled quadrupole and octupole vibrations and rotations is applied to describe non-yrast alternating-parity sequences in even-even nuclei and split parity-doublet spectra in odd-mass nuclei. In even-even nuclei the yrast alternating-parity sequence includes the ground-state band and the lowest negative-parity levels with odd angular momenta, while the non-yrast sequences include excited β-bands and higher negative-parity levels. In odd-mass nuclei the yrast levels are described as low-energy rotation-vibration modes coupled to the ground single-particle (s.p. state, while the non-yrast parity-doublets are obtained as higher-energy rotation-vibration modes coupled to excited s.p. configurations. We show that the extended model scheme describes the yrast and non-yrast quadrupole-octupole spectra in both even-even and odd-A nuclei. The involvement of the reflection-asymmetric deformed shell model to explain the single-particle motion and the Coriolis interaction in odd nuclei is discussed.

  8. Intrinsic Spectra of Hyperluminous Infrared Galaxies (United States)

    Rieke, George; Hines, Dean


    We will use the low and high spectral resolution capabilities of the IRS aboard SIRTF to obtain high signal-to-noise mid-infrared spectra of a small sample of the most luminous Active Galactic Nuclei, which are characterized by their "warm" far-infrared spectral energy distributions as obtained by IRAS (the so called Hyperluminous Infrared Galaxies or HIGs). The sample consists of both Type 2 and Type 1 AGNs. The Type 1 objects present a relatively unobscured view of the central engine, and also have a polarized (scattered) component that is completely unobscured. The Type 2 objects have Type 1 polarized spectra, but this scattered light is highly extinguished indicating some obscuration even along the line of sight to the scattering region. The sample will allow us to compare the properties of the Type 1s and Type 2s, thus providing a check on the orientation and providing strong constraints on the geometry and internal structure of all four objects.

  9. Damping modification factors for acceleration response spectra

    Directory of Open Access Journals (Sweden)

    Heng Li


    Full Text Available DMF (Damping modification factors are used to modify elastic response spectral values corresponding to damping ratio 5% to other damping levels. The influence of seismological parameters (magnitude, epicentral distances and site conditions on DMF for acceleration spectra was analysed. The results show that for a given period as the magnitude or distance increase, the effect of damping on the seismic response will also increase, which indicates the response reduction from the structural damping will become more efficient. In the near-field of small earthquakes, the influence of site conditions on DMF is obvious, but it does not show a consistent rule. Furthermore, the DMF corresponding to different site conditions gradually close to unity with increasing magnitude and distance. The influence of the above mentioned parameters is related to the relative attenuation of the frequency components of the ground motion. The attenuation index alone is sufficient to take into account the influence. Based on these features, this paper proposes a formula of DMF for acceleration response spectra.

  10. Electric field imaging of single atoms (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi


    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures.

  11. Electric field imaging of single atoms (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi


    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629

  12. Merging Structural Information from X-ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII. (United States)

    Chernev, Petko; Zaharieva, Ivelina; Rossini, Emanuele; Galstyan, Artur; Dau, Holger; Knapp, Ernst-Walter


    Structural data of the oxygen-evolving complex (OEC) in photosystem II (PSII) determined by X-ray crystallography, quantum chemistry (QC), and extended X-ray absorption fine structure (EXAFS) analyses are presently inconsistent. Therefore, a detailed study of what information can be gained about the OEC through a comparison of QC and crystallographic structure information combined with the information from range-extended EXAFS spectra was undertaken. An analysis for determining the precision of the atomic coordinates of the OEC by QC is carried out. OEC model structures based on crystallographic data that are obtained by QC from different research groups are compared with one another and with structures obtained by high-resolution crystallography. The theory of EXAFS spectra is summarized, and the application of EXAFS spectra to the experimental determination of the structure of the OEC is detailed. We discriminate three types of parameters entering the formula for the EXAFS spectrum: (1) model-independent, predefined, and fixed; (2) model-dependent that can be computed or adjusted; and (3) model-dependent that must be adjusted. The information content of EXAFS spectra is estimated and is related to the precision of atomic coordinates and resolution power to discriminate different atom-pair distances of the OEC. It is demonstrated how a precise adjustment of atomic coordinates can yield a nearly perfect representation of the experimental OEC EXAFS spectrum, but at the expense of overfitting and losing the knowledge of the initial OEC model structure. Introducing a novel type of penalty function, it is shown that moderate adjustment of atomic coordinates to the EXAFS spectrum limited by constraints avoids overfitting and can be used to validate different OEC model structures. This technique is used to identify the OEC model structures whose computed OEC EXAFS spectra agree best with the measured spectrum. In this way, the most likely S-state and protonation pattern


    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM 88349-0059 (United States); Prieto, Carlos Allende, E-mail: [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)


    Aiming at testing the validity of our magnesium atomic model and investigating the effects of non-local thermodynamical equilibrium (NLTE) on the formation of the H -band neutral magnesium lines, we derive the differential Mg abundances from selected transitions for 13 stars either adopting or relaxing the assumption of local thermodynamical equilibrium (LTE). Our analysis is based on high-resolution and high signal-to-noise ratio H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) and optical spectra from several instruments. The absolute differences between the Mg abundances derived from the two wavelength bands are always less than 0.1 dex in the NLTE analysis, while they are slightly larger for the LTE case. This suggests that our Mg atomic model is appropriate for investigating the NLTE formation of the H -band Mg lines. The NLTE corrections for the Mg i H -band lines are sensitive to the surface gravity, becoming larger for smaller log g values, and strong lines are more susceptible to departures from LTE. For cool giants, NLTE corrections tend to be negative, and for the strong line at 15765 Å they reach −0.14 dex in our sample, and up to −0.22 dex for other APOGEE stars. Our results suggest that it is important to include NLTE corrections in determining Mg abundances from the H -band Mg i transitions, especially when strong lines are used.

  14. Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001

    Directory of Open Access Journals (Sweden)

    Anu Baby


    Full Text Available By first-principle simulations we study the effects of molecular deformation on the electronic and spectroscopic properties as it occurs for pentacene adsorbed on the most stable site of Al(001. The rationale for the particular V-shaped deformed structure is discussed and understood. The molecule–surface bond is made evident by mapping the charge redistribution. Upon X-ray photoelectron spectroscopy (XPS from the molecule, the bond with the surface is destabilized by the electron density rearrangement to screen the core hole. This destabilization depends on the ionized carbon atom, inducing a narrowing of the XPS spectrum with respect to the molecules adsorbed hypothetically undistorted, in full agreement to experiments. When looking instead at the near-edge X-ray absorption fine structure (NEXAFS spectra, individual contributions from the non-equivalent C atoms provide evidence of the molecular orbital filling, hybridization, and interchange induced by distortion. The alteration of the C–C bond lengths due to the V-shaped bending decreases by a factor of two the azimuthal dichroism of NEXAFS spectra, i.e., the energy splitting of the sigma resonances measured along the two in-plane molecular axes.

  15. Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologues (United States)

    Hauko, R.; Gomilšek, J. Padežnik; Kodre, A.; Arčon, I.; Aquilanti, G.


    Photoabsorption spectra of gaseous hydrides of 3p elements (PH3, H2S, HCl) are measured in the energy region of photoexcitations pertaining to K edge. The analysis of the edge profile is extended to hydrides of 4p series (GeH4, AsH3, H2Se, HBr) from an earlier experiment, and to published spectra of 2p hydrides (CH4, NH3, H2O, HF) and noble gases Ar, Kr and Ne and SiH4. The edge profiles are modelled with a linear combination of lorentzian components, describing excitations to individual bound states and to continuum. Transition energies and probabilities are also calculated in the non-relativistic molecular model of the ORCA code, in good agreement with the experiment. Edge profiles in the heavier homologues are closely similar, the symmetry of the molecule governs the transitions to the lowest unoccupied orbitals. In 2p series the effect of the strong nuclear potential prevails. Transitions to higher, atomic-like levels remain very much the same as in free atoms.

  16. Atomic horror deal; Atom-Deal des Grauens

    Energy Technology Data Exchange (ETDEWEB)

    May, Hanne


    The German government is opting out of the decided nuclear phaseout and will ensure good profits for operators of nuclear power plants. Complex contracts and the disregard of safety regulations will result in a continued atomic energy policy, even beyond the next elections and in disrespect of democratic procedures and bodies. (orig.)

  17. Interaction of slow and highly charged ions with surfaces: formation of hollow atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Grether, M.; Spieler, A.; Niemann, D. [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A.


    The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)

  18. Observation of nuclear spin waves in spin-polarized atomic hydrogen gas

    Energy Technology Data Exchange (ETDEWEB)

    Johson, B.R.; Denker, J.S.; Bigelow, N.; Levy, L.P.; Freed, J.H.; Lee, D.M.


    We have observed narrow, distinct resonances in the NMR spectrum of dilute spin-polarized atomic hydrogen gas (nroughly-equal10/sup 16/ atoms/cm/sup 3/). The dependence of the observed spectra on temperature, density, polarization, and magnetic field gradient is consistent with theoretical predictions for spin-wave excitations damped by diffusion. We have measured the parameter, which is a measure of the importance of exchange effects in spin transport processes, and the diffusion coefficient D/sub 0/, both of which are in reasonable agreement with theory.

  19. Relativistic atomic beam spectroscopy II

    Energy Technology Data Exchange (ETDEWEB)



    The negative ion of H is one of the simplest 3-body atomic systems. The techniques we have developed for experimental study of atoms moving near speed of light have been productive. This proposal request continuing support for experimental studies of the H{sup -} system, principally at the 800 MeV linear accelerator (LAMPF) at Los Alamos. Four experiments are currently planned: photodetachment of H{sup -} near threshold in electric field, interaction of relativistic H{sup -} ions with matter, high excitations and double charge escape in H{sup -}, and multiphoton detachment of electrons from H{sup -}.

  20. Atoms, Radiation, and Radiation Protection

    CERN Document Server

    Turner, James E


    Atoms, Radiation, and Radiation Protection offers professionals and advanced students a comprehensive coverage of the major concepts that underlie the origins and transport of ionizing radiation in matter. Understanding atomic structure and the physical mechanisms of radiation interactions is the foundation on which much of the current practice of radiological health protection is based. The work covers the detection and measurement of radiation and the statistical interpretation of the data. The procedures that are used to protect man and the environment from the potential harmful effects of

  1. Acceleration effects on atomic clocks

    CERN Document Server

    Dahia, F


    We consider a free massive particle inside a box which is dragged by Rindler observers. Admitting that the particle obeys the Klein-Gordon equation, we find the frequencies of the stationary states of this system. Transitions between the stationary states are employed to set a standard frequency for a toy atomic clock. Comparing the energy spectrum of the accelerated system with the energy spectrum of an identical system in an inertial frame, we determine the influence of the instantaneous acceleration on the rate of atomic clocks. We argue that our result does not violate the clock hypothesis.

  2. Pathology of atomic bomb casualties. (United States)

    Iijima, S


    Thirty seven years ago, 6 August 1945 marks the date of the first atomic bombing never experienced in human history. It was dropped on Hiroshima and this was followed by a second bombing three days later on Nagasaki. The total deaths following exposure to the bomb by the end of 1945 totalled 140,000 (+/- 10,000) in Hiroshima and 70,000 (+/- 10,000) in Nagasaki. The present article described and outline of the physical effects of the atomic bomb and injury to the human body by exposure to the bomb.

  3. Collective dynamics of accelerated atoms (United States)

    Richter, Benedikt; Terças, Hugo; Omar, Yasser; de Vega, Inés


    We study the collective dynamics of accelerated atoms interacting with a massless field via an Unruh-deWitt-type interaction. We first derive a general Hamiltonian describing such a system and then, employing a Markovian master equation, we study the corresponding collective dynamics. In particular, we observe that the emergence of entanglement between two-level atoms is linked to the building up of coherences between them and to superradiant emission. In addition, we show that the derived Hamiltonian can be experimentally implemented by employing impurities in Bose-Einstein condensates.

  4. Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang


    Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

  5. Optical coherence tomography with pre-calculated reference spectra (United States)

    Wang, Yi; Chen, Xiaodong; Liang, Haitao; Yu, Daoyin


    The resample of spectra which is essential for high-precision spectral-domain OCT data processing is sophisticated, and its precision is dependent on the method and equipment. In this paper, we proposed an OCT without inverse FFT. A series of reference spectra corresponding to different optical path length difference was used to convolve with spectra gotten by OCT to acquire time-domain tomography instead of inverse FFT, thus eliminating the resample of spectra. The reference spectra were calculated before imaging and corrected with correction spectrum from sample arm to compensate the influence of sample arm. Experiment was done with a mirror as sample and validated our setup.

  6. The solar photospheric abundance of carbon : Analysis of atomic carbon lines with the CO5BOLD solar model

    NARCIS (Netherlands)

    Caffau, E.; Ludwig, H.-G.; Bonifacio, P.; Faraggiana, R.; Steffen, M.; Freytag, B.; Kamp, I.; Ayres, T. R.

    Context. The analysis of the solar spectra using hydrodynamical simulations, with a specific selection of lines, atomic data, and method for computing deviations from local thermodynamical equilibrium, has led to a downward revision of the solar metallicity, Z. We are using the latest simulations

  7. 20(R- and 20(S-Simarolide Epimers Isolated from Simaba cuneata: Chemical Shifts Assignment of Carbon and Hydrogen Atoms

    Directory of Open Access Journals (Sweden)

    Vieira Ivo José Curcino


    Full Text Available The C25-quassinoids 20(R- and 20(S-simarolide were isolated from Simaba cuneata, Simaroubaceae. The structures of these two compounds were characterized by spectral data, including 1D and 2D NMR spectra which were also used for the complete assignment of the carbon and hydrogen atom chemical shifts.

  8. Noise squeezing of fields that bichromatically excite atoms in a cavity. (United States)

    Li, Lingchao; Hu, Xiangming; Rao, Shi; Xu, Jun


    It is well known that bichromatic excitation on one common transition can tune the emission or absorption spectra of atoms due to the modulation frequency dependent non-linearities. However little attention has been focused on the quantum dynamics of fields under bichromatic excitation. Here we present dissipative effects on noise correlations of fields in bichromatic interactions with atoms in cavities. We first consider an ensemble of two-level atoms that interacts with the two cavity fields of different frequencies and considerable amplitudes. By transferring the atom-field nonlinearities to the dressed atoms we separate out the dissipative interactions of Bogoliubov modes with the dressed atoms. The Bogoliubov mode dissipation establishes stable two-photon processes of two involved fields and therefore leads to two-mode squeezing. As a generalization, we then consider an ensemble of three-level Λ atoms for cascade bichromatic interactions. We extract the Bogoliubov-like four-mode interactions, which establish a quadrilateral of the two-photon processes of four involved fields and thus result in four-mode squeezing.

  9. More SPECTRA! a Lot MORE! Better TOO! now What? (United States)

    Field, Robert W.


    I have been a card-carrying spectroscopist for 52 years. I began my career studying spectroscopic perturbations in CS and CO. I eventually graduated to vibrational polyads in acetylene and Multichannel Quantum Defect Theory (MQDT) models for Rydberg states of CaF. My experimental arsenal evolved from atomic resonance lamps to finicky cw dye lasers to user-friendly Nd:YAG pumped dye lasers, ending up with Chirped Pulse Millimeter Waves, non-finicky solid state cw lasers, and death-defying dreams about Stimulated Raman Adiabatic Passage (STIRAP). It has become possible to record an enormous quantity of unimaginably high quality spectra quickly. Increases by factors of 10^{6} in spectral velocity have been claimed. Yet everything rests on assigning the spectrum. But the assignment game has changed. Instead of looking for patterns, we deal with meta-patterns. Our goal is to build a complex model that represents all of the energy levels and associates a multi-component eigenvector with each observed eigenstate. Eigenvectors can reveal what a molecule is thinking about doing when it grows up. Spectroscopy becomes a form of molecular psychoanalysis. A spectroscopist can observe the emergence and describe the mechanistic origin of new classes of large-amplitude intramolecular motions. This makes it possible to directly characterize things, such as transition states, which dogma has labeled "spectroscopically unobservable." Where is 21st century spectroscopy headed? I will discuss examples that include: spectroscopic perturbations of the S_{2} B^{3}Σ^{-}_{u} state, the SO_{2} C state with its unequal SO bond-lengths, and the transition state for trans-cis isomerization in the S_{1} state of acetylene.

  10. BOOK REVIEW: Computational Atomic Structure (United States)

    Post, Douglass E.


    The primary purpose of `Computational Atomic Structure' is to give a potential user of the Multi-Configuration Hartree-Fock (MCHF) Atomic Structure Package an outline of the physics and computational methods in the package, guidance on how to use the package, and information on how to interpret and use the computational results. The book is successful in all three aspects. In addition, the book provides a good overview and review of the physics of atomic structure that would be useful to the plasma physicist interested in refreshing his knowledge of atomic structure and quantum mechanics. While most of the subjects are covered in greater detail in other sources, the book is reasonably self-contained, and, in most cases, the reader can understand the basic material without recourse to other sources. The MCHF package is the standard package for computing atomic structure and wavefunctions for single or multielectron ions and atoms. It is available from a number of ftp sites. When the code was originally written in FORTRAN 77, it could only be run on large mainframes. With the advances in computer technology, the suite of codes can now be compiled and run on present day workstations and personal computers and is thus available for use by any physicist, even those with extremely modest computing resources. Sample calculations in interactive mode are included in the book to illustrate the input needed for the code, what types of results and information the code can produce, and whether the user has installed the code correctly. The user can also specify the calculational level, from simple Hartree-Fock to multiconfiguration Hartree-Fock. The MCHF method begins by finding approximate wavefunctions for the bound states of an atomic system. This involves minimizing the energy of the bound state using a variational technique. Once the wavefunctions have been determined, other atomic properties, such as the transition rates, can be determined. The book begins with an

  11. The Ultraviolet Spectra of Active Galactic Nuclei: Intrinsic Properties and Intervening Material (United States)

    Tilton, Evan M.

    The spectra of active galactic nuclei (AGNs) are important probes of astrophysical phenomena on many scales. At the smallest scales, AGN spectra probe the accretion processes that control the growth of super massive black holes (SMBHs) and provide diagnostics of black hole masses. On galactic scales, AGNs play an important role in regulating star formation and controlling the coevolution of galaxies and their central SMBHs. On cosmological scales, AGN spectra, acting as backlights, provide a means for studying via absorption the diffuse gas of the intergalactic medium (IGM), the primary reservoir of baryons in the universe whose ionization state is largely controlled by ionizing flux from AGNs. A comprehensive understanding of the diverse, complex spectra of AGN is necessary to understand any of these phenomena, and because key atomic transitions and absorption edges lie in the ultraviolet (UV), many of these processes are best studied in the UV with space telescopes. In this thesis, I address the nature of several of these physical environments using UV spectra obtained with the Cosmic Origins Spectrograph (COS). Using a large database of IGM absorption lines, I constrain the metal abundance of the IGM by comparing numerical photoionization models to the observed abundances of ions of carbon, sillicon, and oxygen. This work suggests an enhancement of alpha-process elements relative to solar abundances, and it also tests predictions of the metagalactic ionizing UV background spectrum (UVB). By combining new and archival spectra of AGNs at redshifts 1.45≤ zAGN ≤2.14, I construct composite spectra that constrain the typical extreme-UV AGN spectrum, a key input for models of the UVB. I measure a typical EUV slope in frequency space and limit the intrinsic HeI 504 Angstrom photoelectric absorption edge opacity to less than 0.047 while also tentatively identifying numerous emission lines. I also present preliminary results from a large, homogeneous catalog of

  12. Fast interaction of atoms with crystal surfaces: coherent lighting (United States)

    Gravielle, M. S.


    Quantum coherence of incident waves results essential for the observation of interference patterns in grazing incidence fast atom diffraction (FAD). In this work we investigate the influence of the impact energy and projectile mass on the transversal length of the surface area that is coherently illuminated by the atomic beam, after passing through a collimating aperture. Such a transversal coherence length controls the general features of the interference structures, being here derived by means of the Van Cittert-Zernike theorem. The coherence length is then used to build the initial coherent wave packet within the Surface Initial Value Representation (SIVR) approximation. The SIVR approach is applied to fast He and Ne atoms impinging grazingly on a LiF(001) surface along a low-indexed crystallographic direction. We found that with the same collimating setup, by varying the impact energy we would be able to control the interference mechanism that prevails in FAD patterns, switching between inter-cell and unit-cell interferences. These findings are relevant to use FAD spectra adequately as a surface analysis tool, as well as to choose the appropriate collimating scheme for the observation of interference effects in a given collision system.

  13. Probing an atomic gas confined in a nanocell

    Energy Technology Data Exchange (ETDEWEB)

    Maurin, I; Todorov, P; Hamdi, I; Yarovitski, A; Dutier, G; Sarkisyan, D; Saltiel, S; Gorza, M-P; Fichet, M; Bloch, D; Ducloy, M [Laboratoire de Physique des Lasers, UMR 7538 du CNRS et de l' Universite Paris 13, 99 Av JB Clement, F-93430 Villetaneuse (France)


    Since the recent realization of extremely thin vapour cells (local thickness: 20-1000 nm), we investigate the optical properties of these 1-D confined vapours. Aside from their interest for Doppler-free spectroscopy, nanocells offer a new tool to evaluate collisional shift and broadening, yielding an access to the open problem of collisions under confinement. It also allows probing of the atom-surface interaction in a range of unusual short distances. The experimental exploration of the distance dependence, normally evolving according to the z{sup -3} van der Waals (vW) dependence (z : the atom-surface distance), is worth doing because it could be affected by imperfections of the real surface, such as roughness, adsorbed impurities or charges. A detailed lineshape analysis is now under progress, with tight constraints imposed to the fitting by the twin information brought by simultaneous reflection and transmission spectra. Another issue is a possible resonant enhancement, susceptible to induce a repulsive vW, due to the coupling between atom excitation and a surface mode.

  14. Hanbury Brown and Twiss and other atom-atom correlations: advances in quantum atom optics

    CERN Multimedia

    CERN. Geneva


    Fifty years ago, two astronomers, R. Hanbury Brown and R. Q. Twiss, invented a new method to measure the angular diameter of stars, in spite of the atmospheric fluctuations. Their proposal prompted a hot debate among physicists : how might two particles (photons), emitted independently (at opposite extremities of a star) , behave in a correlated way when detected ? It was only after the development of R Glauber's full quantum analysis that the effect was understood as a two particle quantum interference effect. From a modern perspective, it can be viewed as an early example of the amazing properties of pairs of entangled particles. The effect has now been observed with bosonic and fermionic atoms, stressing its fully quantum character. After putting these experiments in a historical perspective, I will present recent results, and comment on their significance. I will also show how our single atom detection scheme has allowed us to demonstrate the creation of atom pairs by non linear mixing of matter wa...

  15. Energetic Proton Spectra Measured by the Van Allen Probes (United States)

    Summers, Danny; Shi, Run; Engebretson, Mark J.; Oksavik, Kjellmar; Manweiler, Jerry W.; Mitchell, Donald G.


    We test the hypothesis that pitch angle scattering by electromagnetic ion cyclotron (EMIC) waves can limit ring current proton fluxes. For two chosen magnetic storms, during 17-20 March 2013 and 17-20 March 2015, we measure proton energy spectra in the region 3 ≤ L ≤ 6 using the RBSPICE-B instrument on the Van Allen Probes. The most intense proton spectra are observed to occur during the recovery periods of the respective storms. Using proton precipitation data from the POES (NOAA and MetOp) spacecraft, we deduce that EMIC wave action was prevalent at the times and L-shell locations of the most intense proton spectra. We calculate limiting ring current proton energy spectra from recently developed theory. Comparisons between the observed proton energy spectra and the theoretical limiting spectra show reasonable agreement. We conclude that the measurements of the most intense proton spectra are consistent with self-limiting by EMIC wave scattering.

  16. Spectral investigations of 2,5-difluoroaniline by using mass, electronic absorption, NMR, and vibrational spectra (United States)

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


    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

  17. Structures and infrared spectra of calcium phosphate clusters by ab initio methods with implicit solvation models. (United States)

    Lin, Tzu-Jen; Chiu, Cheng-Chau


    Since the first detection of pre-nucleation clusters during the formation of calcium phosphate minerals, determining such clusters' compositions and structures has become crucial for understanding the early-stage nucleation of these minerals in solutions. In previous experimental studies, the composition and sizes of pre-nucleation clusters have been calculated, but their structural information has been difficult to determine because they are very small (clusters using ab initio calculations combined with implicit solvation models. Adding solvent effects increased the possibility of the existence of alternative configurations of calcium phosphate clusters other than their compact configurations. The calcium atoms had a tendency to be located outside of the clusters to coordinate with water molecules in the aqueous environment. The computed infrared spectra of extended small calcium phosphate clusters captured some of the features measured in the in situ infrared spectra, which supports the network structures proposed by large-scale molecular dynamics studies and X-ray adsorption near-edge spectra. The relative stabilities of medium-sized Ca9(PO4)6 clusters with respect to the stability of Posner's cluster in water were also reviewed. We found that in water, alternative structures with low symmetry or large dipole moments had lower energies than Posner's cluster.

  18. X-ray Reflected Spectra from Accretion Disk Models: A Complete Grid of Ionized Reflection Calculations (United States)

    Garcia, Javier; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Narayan, R.; Wilms, J.; Eikmann, W.


    We present a new and complete library of synthetic spectra to model the reprocessed and reflected X-ray radiation from illuminated accretion disks, using an updated version of our code XILLVER. Several improvements have been implemented to both the routines and the atomic data, allowing the production a large grid of reflection models covering a wide range of parameters. Each model is characterized by the photon index Γ of the illuminating radiation (assumed to be a power-law), the ionization parameter ξ at the surface of the disk (i.e., the ratio of the X-ray flux over the gas density), and the iron abundance AFe with respect to the solar value. The ranges of the parameters covered are: 1.2 ≤ Γ ≤ 3.4, 1 ≤ ξ ≤ 104, and 0.5 ≤ AFe ≤ 10. This choice is motivated to represent the physical conditions typically observed in most active galactic nuclei, as well as in some galactic black holes. This library is particularly intended to model reflection from accreting sources where the thermal disk emission is small compared to the incident power-law spectrum. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in XSPEC. A detailed comparison with previous models highlights the improvements achieved in the present calculations, and their implications on the analysis of X-ray spectra is discussed.

  19. Analysis of L -shell line spectra with 50-ps time resolution from Mo X -pinch plasmas. (United States)

    Hansen, S B; Shlyaptseva, A S; Pikuz, S A; Shelkovenko, T A; Sinars, D B; Chandler, K M; Hammer, D A


    Mo wire X pinches typically emit several x-ray bursts from a bright spot near the crossing of the X -pinch wires. Streak camera images of L -shell line emission from Mo wire X pinches have been analyzed using a non-local thermodynamic equilibrium (NLTE) collisional-radiative atomic kinetics model, providing temperature and density profiles with approximately 50 ps time resolution over the approximately 350 ps x-ray bursts. In conjunction with nonspectroscopic measurements, the analysis is used to propose a picture of the dynamic evolution of the X -pinch plasma. The L -shell spectra from the first x-ray burst indicate an electron density near 10(22) cm(-3) and an electron temperature near 1 keV; subsequent x-ray bursts have L -shell spectra that indicate electron temperatures slightly above 1 keV and electron densities near 10(20) and 10(21) cm(-3). The size of the L -shell line-emitting region is estimated to be near 10 microm for the first x-ray burst and much larger for the later bursts. It is proposed that inner-shell excitation of low ionization stages of Mo in a microm -scale plasma region contributes to the observed radiation from the first micropinch, which typically emits a short burst of >3 keV radiation and has L -shell spectra characterized by broad spectral lines overlaying an intense continuum.

  20. Vibrational analysis of dibenzo-18-crown-6. Effect of dispersion correction on the calculated vibrational spectra (United States)

    Al-Jallal, Nada A.; El-Azhary, Adel A.


    We report for the first time a detailed vibrational analysis of dibenzo-18-crown-6, db18c6. The experimental IR and Raman spectra of db18c6 were measured. The assignment of the fundamental vibrational frequencies of db18c6 was aided by using scaled quantum mechanical force fields calculated at the B3LYP/6-311G** and CAM-B3LYP/6-311G** levels. Comparison between the experimental and calculated spectra of some of the important conformations of db18c6 led to the conclusion that db18c6 in the solid phase exists in a C2 conformation that is similar to that predicted by X-ray, for also the solid phase. The effect of inclusion of the atom pair-wise dispersion correction to the B3LYP method, known as the B3LYP-D3 method, on the calculated IR and Raman spectra of db18c6 at the B3LYP level was also investigated. It was concluded that the effect of inclusion of the dispersion correction on the calculated vibrational frequencies and intensities is negligible.

  1. Atomic pair-state interferometer

    DEFF Research Database (Denmark)

    Nipper, J.; Balewski, Jonathan B.; Krupp, Alexander T.


    We present experiments measuring an interaction-induced phase shift of Rydberg atoms at Stark-tuned Förster resonances. The phase shift features a dispersive shape around the resonance, showing that the interaction strength and sign can be tuned coherently. We use a pair-state interferometer...

  2. Coffee Cup Atomic Force Microscopy (United States)

    Ashkenaz, David E.; Hall, W. Paige; Haynes, Christy L.; Hicks, Erin M.; McFarland, Adam D.; Sherry, Leif J.; Stuart, Douglas A.; Wheeler, Korin E.; Yonzon, Chanda R.; Zhao, Jing; Godwin, Hilary A.; Van Duyne, Richard P.


    In this activity, students use a model created from a coffee cup or cardstock cutout to explore the working principle of an atomic force microscope (AFM). Students manipulate a model of an AFM, using it to examine various objects to retrieve topographic data and then graph and interpret results. The students observe that movement of the AFM…

  3. Atom Wavelike Nature Solved Mathematically (United States)

    Sven, Charles


    Like N/S poles of a magnet the strong force field surrounding, confining the nucleus exerts an equal force [noted by this author] driving electrons away from the attraction of positively charged protons force fields in nucleus -- the mechanics for wavelike nature of electron. Powerful forces corral closely packed protons within atomic nucleus with a force that is at least a million times stronger than proton's electrical attraction that binds electrons. This then accounts for the ease of electron manipulation in that electron is already pushed away by the very strong atomic N/S force field; allowing electrons to drive photons when I strike a match. Ageless atom's electron requirements, used to drive light/photons or atom bomb, without batteries, must be supplied from a huge, external, super high frequency, super-cooled source, undetected by current technology, one that could exist 14+ billion years without degradation -- filling a limitless space prior to Big Bang. Using only replicable physics, I show how our Universe emanated from that event.

  4. Die sonderbare Welt der Atome

    CERN Multimedia

    Greschik, Stefan


    Is a Pinhead small? Or a grain of sand? The components of our world are still infinitely much tinier. Come with us in the dimensions, in that of the giant bacteria and even of atoms large like solar systems (3½ pages)

  5. Atomic Configuration of a ½

    NARCIS (Netherlands)

    Hosson, J.Th.M. de; Sleeswyk, A.W.


    The atomic arrangement around a ½<111>{110} edge dislocation in an α-Fe crystallite embedded in an elastic continuum is calculated, using the Johnson-I interatomic potential. A narrow dislocation without any stacking fault results, although there is some displacement in the core parallel to the

  6. Spectroscopy, Understanding the Atom Series. (United States)

    Hellman, Hal

    This booklet is one of the "Understanding the Atom" Series. The science of spectroscopy is presented by a number of topics dealing with (1) the uses of spectroscopy, (2) its origin and background, (3) the basic optical systems of spectroscopes, spectrometers, and spectrophotometers, (4) the characteristics of wave motion, (5) the…

  7. Electrostatics of Atoms and Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 2. Electrostatics of Atoms and Molecules. G Narahari Sastry. Book Review Volume 7 Issue 2 February 2002 pp 90-91. Fulltext. Click here to view fulltext PDF. Permanent link: ...

  8. Robert Dicke and Atomic Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 4. Robert Dicke and Atomic Physics. Vasant Natarajan. General Article Volume 16 Issue 4 April 2011 pp 322-332. Fulltext. Click here to view fulltext PDF. Permanent link: Keywords.

  9. Magnetism of a single atom

    NARCIS (Netherlands)

    Otte, Alexander Ferdinand


    A low-temperature scanning tunneling microscope is used to perform spin-excitations on individual magnetic transition metal atoms when placed onto a crystal surface. By following these excitations while applying external magnetic fields the precise influence of the anisotropic crystal field on the

  10. Atomism from Newton to Dalton. (United States)

    Schofield, Robert E.


    Indicates that although Newton's achievements were rooted in an atomistic theory of matter resembling aspects of modern nuclear physics, Dalton developed his chemical atomism on the basis of the character of the gross behavior of substances rather than their particulate nature. (Author/SK)

  11. Atoms at the Science Fair

    Energy Technology Data Exchange (ETDEWEB)

    LeCompte, Robert G. [AEC Division of Technical Information; Wood, Burrell L. [AEC Division of Special Projects


    The United States Atomic Energy Commission has prepared this booklet to help young science fair exhibitors, their science teachers, project counselors, and parents. The booklet suggests some of the numerous nuclear topics on which students can base meaningful science projects. It offers all exhibitors advice on how to plan, design, and construct successful exhibits.

  12. Small amplitude atomic force spectroscopy

    NARCIS (Netherlands)

    de Beer, Sissi; van den Ende, Henricus T.M.; Ebeling, Daniel; Mugele, Friedrich Gunther; Bhushan, Bharat


    Over the years atomic force microscopy has developed from a pure imaging technique to a tool that can be employed for measuring quantitative tip–sample interaction forces. In this chapter we provide an overview of various techniques to extract quantitative tip–sample forces focusing on both


    The operating principles and performance of a new type of spray nozzle are presented. This nozzle, termed a "ligament-controlled effervescent atomizer," was developed to allow consumer product manufacturers to replace volatile organic compound (VOC) solvents with water and hydroc...

  14. Atomic Power | Taylor | Zede Journal

    African Journals Online (AJOL)

    Zede Journal. Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives · Journal Home > Vol 3 (1968) >. Log in or Register to get access to full text downloads. Username, Password, Remember me, or Register. Atomic Power. D Taylor. Abstract. No Abstract. Full Text: EMAIL FREE FULL TEXT ...

  15. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)


    Why are QD-QD solids Stoichiometric. • Adjacent QD levels are <0.1 eV apart. • In contrast, atomic oxidation states are separated by. ~1 eV. • Creation of a Stoichiometric defect is 1012 times easier. × Packing Effects. × (Impossible in disordered solids). × Shell Filling. × (Insufficient level separation) ...

  16. Modeling degradation in SOEC impedance spectra

    DEFF Research Database (Denmark)

    Jensen, Søren Højgaard; Hauch, Anne; Knibbe, Ruth


    Solid oxide cell (SOC) performance is limited by various processes. One way to investigate these processes is by electrochemical impedance spectroscopy. In order to quantify and characterize the processes, an equivalent circuit can be used to model the SOC impedance spectra (IS). Unfortunately......, the optimal equivalent circuit is often unknown and to complicate matters further, several processes contribute to the SOC impedance - making detailed process characterization difficult. In this work we analyze and model a series of IS measured during steam electrolysis operation of an SOC. During testing......, degradation is only observed in the Ni/YSZ electrode and not in the electrolyte or the LSM/YSZ electrode. A batch fit of the differences between the IS shows that a modified Gerischer element provides a better fit to the Ni/YSZ electrode impedance than the frequently used RQ element - albeit neither...

  17. Workshop to establish databases of carbohydrate spectra

    Energy Technology Data Exchange (ETDEWEB)



    The workshop was organized to formulate guidelines for establishing spectral databases of complex carbohydrates. The databases will enable the scientific community to avoid the great waste of research effort and funds that frequently occurs when carbohydrate chemists are forced to duplicate the structural characterization of previously characterized complex carbohydrates. Chemists waste their effort on repetitive characterizations because in the absence of spectral databases they are unaware they are analyzing a known molecule until they have completely determined its structure. Chemists will be able to avoid much of this wasted effort when the collections of mass and of nuclear magnetic resonance (NMR) spectra initiated at the workshop are subsequently developed into searchable databases. Then scientists only need query the databases with the spectrum or with information defining the spectrum of an unidentified carbohydrate to find out if it has been previously characterized.

  18. Correlating features in the primordial spectra

    CERN Document Server

    Achúcarro, Ana; Palma, Gonzalo A; Patil, Subodh P


    Heavy fields coupled to the inflaton reduce the speed of sound in the effective theory of the adiabatic mode each time the background inflationary trajectory deviates from a geodesic. This can result in features in the primordial spectra. We compute the corresponding bispectrum and show that if a varying speed of sound induces features in the power spectrum, the change in the bispectrum is given by a simple formula involving the change in the power spectrum and its derivatives. In this manner, we provide a uniquely discriminable signature of a varying sound speed for the adiabatic mode during inflation that indicates the influence of heavy fields. We find that features in the bispectrum peak in the equilateral limit and, in particular, in the squeezed limit we find considerable enhancement entirely consistent with the single field consistency relation. From the perspective of the underlying effective theory, our results generalize to a wide variety of inflationary models where features are sourced by the time...

  19. Spectra as windows into exoplanet atmospheres. (United States)

    Burrows, Adam S


    Understanding a planet's atmosphere is a necessary condition for understanding not only the planet itself, but also its formation, structure, evolution, and habitability. This requirement puts a premium on obtaining spectra and developing credible interpretative tools with which to retrieve vital planetary information. However, for exoplanets, these twin goals are far from being realized. In this paper, I provide a personal perspective on exoplanet theory and remote sensing via photometry and low-resolution spectroscopy. Although not a review in any sense, this paper highlights the limitations in our knowledge of compositions, thermal profiles, and the effects of stellar irradiation, focusing on, but not restricted to, transiting giant planets. I suggest that the true function of the recent past of exoplanet atmospheric research has been not to constrain planet properties for all time, but to train a new generation of scientists who, by rapid trial and error, are fast establishing a solid future foundation for a robust science of exoplanets.

  20. Electron spectra from decay of fission products

    Energy Technology Data Exchange (ETDEWEB)

    Dickens, J K


    Electron spectra following decay of individual fission products (72 less than or equal to A less than or equal to 162) are obtained from the nuclear data given in the compilation using a listed and documented computer subroutine. Data are given for more than 500 radionuclides created during or after fission. The data include transition energies, absolute intensities, and shape parameters when known. An average beta-ray energy is given for fission products lacking experimental information on transition energies and intensities. For fission products having partial or incomplete decay information, the available data are utilized to provide best estimates of otherwise unknown decay schemes. This compilation is completely referenced and includes data available in the reviewed literature up to January 1982.