WorldWideScience

Sample records for atomic spectra

  1. Atomic Spectra Database (ASD)

    Science.gov (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. Spectra of alkali atoms

    International Nuclear Information System (INIS)

    Santoso, Budi; Arumbinang, Haryono.

    1981-01-01

    Emission spectra of alkali atoms has been determined by using spectrometer at the ultraviolet to infra red waves range. The spectra emission can be obtained by absorption spectrophotometric analysis. Comparative evaluations between experimental data and data handbook obtained by spark method were also presented. (author tr.)

  3. Vibration spectra of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Bourahla, B; Khater, A; Rafil, O; Tigrine, R

    2006-01-01

    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

  4. The new NIST atomic spectra database

    International Nuclear Information System (INIS)

    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.

    1999-01-01

    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 Aangstroem 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. (orig.)

  5. Atomic and molecular effects in the VUV spectra of solids

    International Nuclear Information System (INIS)

    Sonntag, B.

    1977-10-01

    The VUV spectra of solids are often dominated by atomic or molecular effects, which clearly manifest themselves in the gross features of the spectra and the fine structure at inner shell excitation thresholds. Evidence for the influence of atomic and molecular matrix elements, multiplet-splitting and correlation is presented. Special emphasis is given to the direct experimental verification based on the comparison of atomic and solid state spectra. (orig.) [de

  6. Explanation of the Hund's rule for atomic spectra

    International Nuclear Information System (INIS)

    Muftakhova, F.I.; Zilberman, L.A.

    1982-01-01

    An original formula for electrostatic interaction in many-electron atoms, based on a new mathematical method, related by recoupling a matrix of n vector coupling momenta and its permutation properties, is given in general form. Hund's rule for atomic spectra-like maximum probability of couple momentum of l 2 configuration in the LS term of lsup(n) configuration is explained. Also, non-competence of exchange interaction notion for d and f atoms is based on mentioned formula. (Auth.)

  7. ASAS: Computational code for Analysis and Simulation of Atomic Spectra

    Directory of Open Access Journals (Sweden)

    Jhonatha R. dos Santos

    2017-01-01

    Full Text Available The laser isotopic separation process is based on the selective photoionization principle and, because of this, it is necessary to know the absorption spectrum of the desired atom. Computational resource has become indispensable for the planning of experiments and analysis of the acquired data. The ASAS (Analysis and Simulation of Atomic Spectra software presented here is a helpful tool to be used in studies involving atomic spectroscopy. The input for the simulations is friendly and essentially needs a database containing the energy levels and spectral lines of the atoms subjected to be studied.

  8. Spectra of matrix isolated metal atoms and clusters

    International Nuclear Information System (INIS)

    Meyer, B.

    1977-01-01

    The matrix isolation spectra of all of the 40 presently known atomic metal species show strong matrix effects. The transition energies are increased, and the bands are broad and exhibit splitting of sublevels which are degenerate in the gas phase. Several models have been proposed for splitting of levels, but basic effects are not yet understood, and spectra cannot be predicted, yet it is possible to correlate gas phase and matrix in many of the systems. Selective production of diatomics and clusters via thermal and optical annealing of atomic species can be monitored by optical spectra, but yields spectroscopically complex systems which, however, especially in the case of transition metals, can be used as precursors in novel chemical reactions. A combination of absorption, emission, ir, Raman, ESR, and other methods is now quickly yielding data which will help correlate the increasing wealth of existing data. 55 references, 6 figures

  9. Compton spectra of atoms at high x-ray intensity

    Science.gov (United States)

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

    2017-03-01

    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.

  10. High resolution atomic spectra of rare earths : progress report

    International Nuclear Information System (INIS)

    Saksena, G.D.; Ahmad, S.A.

    1976-01-01

    High resolution studies of atomic spectra of neodymium and gadolinium are being carried out on a recording Fabry-Perot spectrometer. The present progress report concerns work done on new assignments as well as confirmation of recently assigned electronic configurations and evaluation of isotope shifts of energy levels which have been possible from the isotope shift data obtained for several transitions of NdI, NdII and GdI, GdII respectively. (author)

  11. Theoretical Atomic Physics code development IV: LINES, A code for computing atomic line spectra

    International Nuclear Information System (INIS)

    Abdallah, J. Jr.; Clark, R.E.H.

    1988-12-01

    A new computer program, LINES, has been developed for simulating atomic line emission and absorption spectra using the accurate fine structure energy levels and transition strengths calculated by the (CATS) Cowan Atomic Structure code. Population distributions for the ion stages are obtained in LINES by using the Local Thermodynamic Equilibrium (LTE) model. LINES is also useful for displaying the pertinent atomic data generated by CATS. This report describes the use of LINES. Both CATS and LINES are part of the Theoretical Atomic PhysicS (TAPS) code development effort at Los Alamos. 11 refs., 9 figs., 1 tab

  12. Spectra of highly ionized atoms of tokamak interest

    International Nuclear Information System (INIS)

    Cowan, R.D.

    1977-01-01

    The general nature of the change in energy level structures along an isoelectronic sequence is reviewed, with particular emphasis on relativistic effects and changes in coupling conditions. The accuracy of computed wavelengths is checked by comparison with experimental data on inner-shell (x-ray) transitions in singly ionized atoms. Relativistic effects can be extremely important for Δn = 0 transitions, but are taken into account fairly accurately by the approximate relativistic methods used. Computed ionization energies are given for important ions of Cr, Fe, Ni, Kr, Mo, Xe, W, and Au. Computed wavelengths and oscillator strengths are given for resonance lines of most of these elements in the simple isoelectronic sequences of neutral Li, Be, Na, Mg, K, Ni, Cu, and Zn, and more detailed electric- and magnetic-dipole spectra are given for ions of greatest importance

  13. Polarization-dependent spectra in the photoassociative ionization of cold atoms in a bright sodium beam

    International Nuclear Information System (INIS)

    Ramirez-Serrano, Jaime; DeGraffenreid, William; Weiner, John

    2002-01-01

    We report measurements of cold photoassociative ionization (PAI) spectra obtained from collisions within a slow, bright Na atomic beam. A high-brightness atom flux, obtained by optical cooling and focusing of the atom beam, permits a high degree of alignment and orientation of binary collisions with respect to the laboratory atom-beam axis. The results reveal features of PAI spectra not accessible in conventional magneto-optical trap studies. We take advantage of this high degree of alignment to selectively excite autoionizing doubly excited states of specific symmetry

  14. Study of atomic and molecular emission spectra of Sr by laser induced breakdown spectroscopy (LIBS).

    Science.gov (United States)

    Bhatt, Chet R; Alfarraj, Bader; Ayyalasomayajula, Krishna K; Ghany, Charles; Yueh, Fang Y; Singh, Jagdish P

    2015-12-01

    Laser Induced Breakdown Spectroscopy (LIBS) is an ideal analytical technique for in situ analysis of elemental composition. We have performed a comparative study of the quantitative and qualitative analysis of atomic and molecular emission from LIBS spectra. In our experiments, a mixture of SrCl2 and Al2O3 in powder form was used as a sample. The atomic emission from Sr and molecular emission from SrCl and SrO observed in LIBS spectra were analyzed. The optimum laser energies, gate delays, and gate widths for selected atomic lines and molecular bands were determined from spectra recorded at various experimental parameters. These optimum experimental conditions were used to collect calibration data, and the calibration curves were used to predict the Sr concentration. Limits of detection (LODs) for selected atomic and molecular emission spectra were determined.

  15. The coherence and spectra of a Bose condensate generated by an atomic laser

    International Nuclear Information System (INIS)

    Kozlovskii, A.V.

    2003-01-01

    The first-order coherence dynamics of a Bose condensate generated by a cw atomic laser with evaporative cooling is analyzed. For the atomic-laser multimode model, the coherence functions and atomic field spectra are calculated by the master equation technique. Elastic collisions in the trapped atomic gas lead to significant broadening of the atomic laser line, a shift of its center, and a multi peak structure of the spectra. The oscillatory time dynamics of the atomic-field coherence function is studied. For the atomic laser, the free phase diffusion of the field typical of optical lasers, and characterized by monotonically decreasing mean field with a constant mean phase, is absent due to elastic collisions

  16. Global characteristics of atomic spectra and their use for the analysis of spectra. IV. Configuration interaction effects

    International Nuclear Information System (INIS)

    Kucas, S.; Jonauskas, V.; Karazija, R.

    1997-01-01

    For pt.III see ibid., vol.52, p.639, 1995. Changes of the moments of atomic spectrum due to configuration interaction (CI), the CI strength, the average shift of the energy of a level due to its interaction with all levels of distant configuration and other global characteristics of CI effects in atoms are systematised and their expressions presented. The results of the calculation of those characteristics for the energy level spectra of the 3s3p 3 + 3s 2 3p3d configurations in Si isoelectronic series, 3p 5 3d N + 3p 6 3d N-2 4p + 3p 6 3d N-2 4f (N = 5, 6, 7, 8) in Cr, Mn, Fe and Co isoelectronic series, ns 2 np N + np N+2 at n = 2 - 5 and N = 2 - 4 in neutral atoms as well as for the characteristic emission spectra corresponding to the 3p 5 3d 9 + 3d 7 4p → 3d 8 transitions as well as for the Auger M 4.3 N 1 N 2.3 spectra in Kr and N 4.5 O 1 O 2.3 in Xe are given and compared with the same characteristics of the more complete experimental spectra. (orig.)

  17. The effect of decaying atomic states on integral and time differential Moessbauer spectra

    International Nuclear Information System (INIS)

    Kankeleit, E.

    1975-01-01

    Moessbauer spectra for time dependent monopole interaction have been calculated for the case that the nuclear transition feeding the Moessbauer state excites an electric state of the atom. This is assumed to decay in a time comparable with the lifetime of the Moessbauer state. Spectra have been calculated for both time differential and integral experiments. (orig.) [de

  18. Bibliography on atomic energy levels and spectra. Special pub., Jul 1971--Jun 1975

    International Nuclear Information System (INIS)

    Hagan, L.

    1977-01-01

    This is the first supplement to the NBS Special Publication 363, 'Bibliography on Atomic Energy Levels and Spectra, July 1968 through June 1971,' and it covers the most recent literature from July 1971 through June 1975. It contains approximately 2150 references classified by subject for individual atoms and atomic ions. A number index identifies the references. An author index is included. References included contain data on energy levels, classified lines, wavelengths, Zeeman effect, Stark effect, hyperfine structure, isotope shift, ionization potentials, or theory which gives results for specific atoms or atomic ions

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

    DEFF Research Database (Denmark)

    Avery, James Emil; Avery, John Scales

    2003-01-01

    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...

  20. The Belgian repository of fundamental atomic data and stellar spectra (BRASS). I. Cross-matching atomic databases of astrophysical interest

    Science.gov (United States)

    Laverick, M.; Lobel, A.; Merle, T.; Royer, P.; Martayan, C.; David, M.; Hensberge, H.; Thienpont, E.

    2018-04-01

    Context. Fundamental atomic parameters, such as oscillator strengths, play a key role in modelling and understanding the chemical composition of stars in the Universe. Despite the significant work underway to produce these parameters for many astrophysically important ions, uncertainties in these parameters remain large and can propagate throughout the entire field of astronomy. Aims: The Belgian repository of fundamental atomic data and stellar spectra (BRASS) aims to provide the largest systematic and homogeneous quality assessment of atomic data to date in terms of wavelength, atomic and stellar parameter coverage. To prepare for it, we first compiled multiple literature occurrences of many individual atomic transitions, from several atomic databases of astrophysical interest, and assessed their agreement. In a second step synthetic spectra will be compared against extremely high-quality observed spectra, for a large number of BAFGK spectral type stars, in order to critically evaluate the atomic data of a large number of important stellar lines. Methods: Several atomic repositories were searched and their data retrieved and formatted in a consistent manner. Data entries from all repositories were cross-matched against our initial BRASS atomic line list to find multiple occurrences of the same transition. Where possible we used a new non-parametric cross-match depending only on electronic configurations and total angular momentum values. We also checked for duplicate entries of the same physical transition, within each retrieved repository, using the non-parametric cross-match. Results: We report on the number of cross-matched transitions for each repository and compare their fundamental atomic parameters. We find differences in log(gf) values of up to 2 dex or more. We also find and report that 2% of our line list and Vienna atomic line database retrievals are composed of duplicate transitions. Finally we provide a number of examples of atomic spectral lines

  1. Energy spectra of primary knock-on atoms under neutron irradiation

    International Nuclear Information System (INIS)

    Gilbert, M.R.; Marian, J.; Sublet, J.-Ch.

    2015-01-01

    Materials subjected to neutron irradiation will suffer from a build-up of damage caused by the displacement cascades initiated by nuclear reactions. Previously, the main “measure” of this damage accumulation has been through the displacements per atom (dpa) index, which has known limitations. This paper describes a rigorous methodology to calculate the primary atomic recoil events (often called the primary knock-on atoms or PKAs) that lead to cascade damage events as a function of energy and recoiling species. A new processing code SPECTRA-PKA combines a neutron irradiation spectrum with nuclear recoil data obtained from the latest nuclear data libraries to produce PKA spectra for any material composition. Via examples of fusion relevant materials, it is shown that these PKA spectra can be complex, involving many different recoiling species, potentially differing in both proton and neutron number from the original target nuclei, including high energy recoils of light emitted particles such as α-particles and protons. The variations in PKA spectra as a function of time, neutron field, and material are explored. The application of PKA spectra to the quantification of radiation damage is exemplified using two approaches: the binary collision approximation and stochastic cluster dynamics, and the results from these different models are discussed and compared. - Highlights: • Recoil cross-section matrices under neutron irradiation are generated. • Primary knock-on atoms (PKA) spectra are calculated for fusion relevant materials. • Variation in PKA spectra due to changes in geometry are considered. • Inventory simulations to consider time-evolution in PKA spectra. • Damage quantification using damage functions from different approximations.

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    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 confin...... evolved Lyapunov vectors projected into a reduced dimensional phase space. We finally observe that the phase-space compression due to the thermostat remains confined into the wall region and does not significantly affect the purely Newtonian fluid region....

  3. Time evolution, Lamb shift, and emission spectra of spontaneous emission of two identical atoms

    International Nuclear Information System (INIS)

    Wang Dawei; Li Zhenghong; Zheng Hang; Zhu Shiyao

    2010-01-01

    A unitary transformation method is used to investigate the dynamic evolution of two multilevel atoms, in the basis of symmetric and antisymmetric states, with one atom being initially prepared in the first excited state and the other in the ground state. The unitary transformation guarantees that our calculations are based on the ground state of the atom-field system and the self-energy is subtracted at the beginning. The total Lamb shifts of the symmetric and antisymmetric states are divided into transformed shift and dynamic shift. The transformed shift is due to emitting and reabsorbing of virtual photons, by a single atom (nondynamic single atomic shift) and between the two atoms (quasi-static shift). The dynamic shift is due to the emitting and reabsorbing of real photons, by a single atom (dynamic single atomic shift) and between the two atoms (dynamic interatomic shift). The emitting and reabsorbing of virtual and real photons between the two atoms result in the interatomic shift, which does not exist for the one-atom case. The spectra at the long-time limit are calculated. If the distance between the two atoms is shorter than or comparable to the wavelength, the strong coupling between the two atoms splits the spectrum into two peaks, one from the symmetric state and the other from the antisymmetric state. The origin of the red or blue shifts for the symmetric and antisymmetric states mainly lies in the negative or positive interaction energy between the two atoms. In the investigation of the short time evolution, we find the modification of the effective density of states by the interaction between two atoms can modulate the quantum Zeno and quantum anti-Zeno effects in the decays of the symmetric and antisymmetric states.

  4. Recent progress in the studies of atomic spectra and transition probabilities by beam-foil spectroscopy

    International Nuclear Information System (INIS)

    Martinson, I.

    1982-01-01

    A review is given of recent studies of atomic structure (in particular atomic spectra, energy levels and transition probabilities) using fast beams from ion accelerators. Thanks to improved spectral resolution detailed and quite accurate studies of energy levels are now possible, a number of such results will be discussed. The non-autoionizing, multiply excited levels in atoms and ions (including negative ions) are being vigorously investigated at present, some new results will be reported. The accuracy in lifetime determinations continues to improve, and several new ways for reduction of cascading effects have been developed. Some selected examples of recent progress in lifetime measurements are also included. (orig.)

  5. Systematic comparisons between the 4d spectra of lanthanide atoms and solids

    Energy Technology Data Exchange (ETDEWEB)

    Radtke, E R [Bonn Univ. (Germany, F.R.). Physikalisches Inst.

    1979-02-14

    It is shown that the lanthanides can be divided into two groups according to the occupation of the 4f subshell in the solid and in the atom. In the first group the 4d absorption spectrum in the atom and in the solid are similar. In the second group the atomic spectrum of the element with nuclear charge Z corresponds to the solid with nuclear charge (Z + 1). Predictions are made for the 4d spectra of those lanthanides which remain to be observed.

  6. Systematic comparisons between the 4d spectra of lanthanide atoms and solids

    International Nuclear Information System (INIS)

    Radtke, E.R.

    1979-01-01

    It is shown that the lanthanides can be divided into two groups according to the occupation of the 4f subshell in the solid and in the atom. In the first group the 4d absorption spectrum in the atom and in the solid are similar. In the second group the atomic spectrum of the element with nuclear charge Z corresponds to the solid with nuclear charge (Z + 1). Predictions are made for the 4d spectra of those lanthanides which remain to be observed. (author)

  7. Fourier transform infrared emission spectra of atomic rubidium: g- and h-states

    Czech Academy of Sciences Publication Activity Database

    Civiš, Svatopluk; Ferus, Martin; Kubelík, Petr; Chernov, Vladislav E.; Zanozina, Ekaterina M.

    2012-01-01

    Roč. 45, č. 17 (2012), s. 175002 ISSN 0953-4075 R&D Projects: GA AV ČR IAAX00100903 Institutional support: RVO:61388955 Keywords : Fourier transform infrared emission spectra * atomic rubidium * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.031, year: 2012

  8. Valter Ritz as a theoretical physicist and his research on atomic spectra theory

    International Nuclear Information System (INIS)

    El'yashevich, M.A.; Kemberovskaya, N.G.; Tomil'chik, L.M.

    1995-01-01

    The article presents a historic-methodological analysis of the scientific heritage of an outstanding Swiss physicist Walter Ritz (1878-1909); the analysis is based on the study of a complete collection of his works published in 1911. In addition to a general description of Ritz's works which comprise publications in spectroscopy, variational method and electrodynamics, the article deals in detail with this fundamental research into atomic spectra theory. Elastic and magnetic model of the atom proposed by Ritz for explaining atomic spectra within the framework of the classical approach are discussed. It is shown that the generalized formulas of Balmer and Rydbery, as well as the combination principle which served later as a basis for formalting Bohr's condition of frequencies, were derived by Ritz as regions corollaries of this models and were out of semiempiric nature, as was assumed. 124 refs

  9. The FTS atomic spectrum tool (FAST) for rapid analysis of line spectra

    Science.gov (United States)

    Ruffoni, M. P.

    2013-07-01

    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: http://cpc.cs.qub.ac.uk/summaries/AEOW_v1_0.html 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

  10. Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX

    Science.gov (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

    2012-01-01

    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.

  11. Subthermal linewidths in photoassociation spectra of cold alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Machholm, Mette; Julienne, Paul S.; Suominen, Kalle-Antti

    2002-01-01

    Narrow s-wave features with subthermal widths are predicted for the 1 Π g photoassociation spectra of cold alkaline-earth-metal atoms. The phenomenon is explained by numerical and analytical calculations. These show that only a small subthermal range of collision energies near threshold contributes to the s-wave features that are excited when the atoms are very far apart. The resonances survive thermal averaging, and may be detectable for Ca cooled near the Doppler cooling temperature of the 4 1 P 1 S laser-cooling transition

  12. Reemission spectra and inelastic processes at interaction of attosecond and shorter duration electromagnetic pulses with atoms

    International Nuclear Information System (INIS)

    Makarov, D.N.; Matveev, V.I.

    2017-01-01

    Inelastic processes and the reemission of attosecond and shorter electromagnetic pulses by atoms have been considered within the analytical solution of the Schrödinger equation in the sudden perturbation approximation. A method of calculations with the exact inclusion of spatial inhomogeneity of the field of an ultrashort pulse and the momenta of photons in the reemission processes has been developed. The probabilities of inelastic processes and spectra of reemission of ultrashort electromagnetic pulses by one- and many-electron atoms have been calculated. The results have been presented in the form of analytical formulas.

  13. Photoelectron spectra as a probe of double-core resonsance in two-electron atoms

    International Nuclear Information System (INIS)

    Grobe, R.; Haan, S.L.; Eberly, J.H.

    1996-01-01

    The authors calculate photoelectron spectra for a two-electron atom under the influence of two external driving fields, using an essential states formalism. They focus on the regime of so-called coherence transfer, in which electron-electron correlation transfers field-induced photo-coherence from one electron to the other. In the case studied here, two laser fields are resonant with coupled atomic transitions, in the manner familiar from three-level dark-state spectroscopy. Dynamical two electron effects are monitored via the photoelectron energy spectrum. The authors show that the distribution of the photoelectron energies can be singly, doubly or triply peaked depending on the relative laser intensities. The electron spectra are independent of the turn-on sequence of the fields

  14. 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: hjohns@lanl.gov; 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)

    2016-11-15

    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.

  15. Photoabsorption spectra in the perturbative regime for atoms in crossed electric and magnetic fields

    International Nuclear Information System (INIS)

    Marxer, H.; Moser, I.; O'Mahony, P.F.; Mota-Furtado, F.

    1994-01-01

    We calculate photoabsorption spectra of atoms in crossed electric and magnetic fields using a truncated basis of Coulomb eigenfunctions. The method yields spectra in the regime where inter-n-mixing is not dominant and allows for the treatment of non-hydrogenic atoms via a simple recourse to quantum defects. We compare results for hydrogen to those obtained in second order perturbation theory where the residual degeneracy left in first order perturbation theory is completely lifted and we show that only a very small basis size is needed to achieve convergence to within the accuracy of second order perturbation theory. In the case of lithium the coupling of an incomplete hydrogen-like manifold to states with non-negligible quantum defects substantially modifies the spectra obtained in comparison to the purely hydrogenic spectra. In the inter-n-mixing regime we also compare our convoluted results directly with an experimental spectrum for hydrogen and find good agreement below the saddle point. (Author)

  16. Resonance fluorescence spectra of three-level atoms in a squeezed vacuum

    International Nuclear Information System (INIS)

    Ferguson, M.R.; Ficek, Z.; Dalton, B.J.

    1996-01-01

    The fluorescence field from one of the two allowed transitions in a three-level atom can sense squeezed fluctuations of a vacuum field coupled to the other transition. We examine the fluorescence spectra of strongly driven three-level atoms in Λ, V, and cascade configurations in which one of the two one-photon transitions is coupled to a finite-bandwidth squeezed vacuum field, when the bandwidth is much smaller than the difference in the atomic transition frequencies, though much larger than atomic decay rates and Rabi frequencies of the driving fields. The driving fields are on one-photon resonance, and the squeezed vacuum field is generated by a degenerate parameter oscillator. Details are only given for the Λ configuration. The extension to the V and cascade configurations is straightforward. We find that in all configurations the fluorescence spectra of the transition not coupled to the squeezed vacuum field are composed of five lines, one central and two pairs of sidebands, with intensities and widths strongly influenced by the squeezed vacuum field. However, only the central component and the outer sidebands exhibit a dependence on the squeezing phase. We also examine the fluorescence spectrum for the cascade configuration with a squeezed vacuum field on resonance with the two-photon transition between the ground and the most excited states and now generated by a nondegenerate parametric oscillator. In this case, where the squeezed vacuum field can be made coupled to both transitions, all spectral lines depend on the squeezing phase. The spectral features are explained in terms of the dressed-atom model of the system. We show that the coherent mixing of the atomic states by the strong driving fields modifies transition rates between the dressed states, which results in the selective phase dependence of the spectral features. copyright 1996 The American Physical Society

  17. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    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: Charles.W.Bauschlicher@nasa.gov, E-mail: Alessandra.Ricca-1@nasa.gov [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Mountain View, CA 94043 (United States)

    2013-10-20

    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.

  18. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    International Nuclear Information System (INIS)

    Bauschlicher, Charles W. Jr.; Ricca, Alessandra

    2013-01-01

    The loss of one hydrogen from C 96 H 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

  19. Ultra-narrow EIA spectra of 85Rb atom in a degenerate Zeeman multiplet system

    Science.gov (United States)

    Rehman, Hafeez Ur; Qureshi, Muhammad Mohsin; Noh, Heung-Ryoul; Kim, Jin-Tae

    2015-05-01

    Ultra-narrow EIA spectral features of thermal 85Rb atom with respect to coupling Rabi frequencies in a degenerate Zeeman multiplet system have been unraveled in the cases of same (σ+ -σ+ , π ∥ π) and orthogonal (σ+ -σ- , π ⊥ π)polarization configurations. The EIA signals with subnatural linewidth of ~ 100 kHz even in the cases of same circular and linear polarizations of coupling and probe laser have been obtained for the first time theoretically and experimentally. In weak coupling power limit of orthogonal polarization configurations, time-dependent transfer of coherence plays major role in the splitting of the EIA spectra while in strong coupling power, Mollow triplet-like mechanism due to strong power bring into broad split feature. The experimental ultra-narrow EIA features using one laser combined with an AOM match well with simulated spectra obtained by using generalized time-dependent optical Bloch equations.

  20. Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

    Science.gov (United States)

    Ikabata, Yasuhiro; Aiba, Risa; Iwanade, Toru; Nishizawa, Hiroaki; Wang, Feng; Nakai, Hiromi

    2018-05-01

    We report theoretical calculations of positron-electron annihilation spectra of noble gas atoms and small molecules using the nuclear orbital plus molecular orbital method. Instead of a nuclear wavefunction, the positronic wavefunction is obtained as the solution of the coupled Hartree-Fock or Kohn-Sham equation for a positron and the electrons. The molecular field is included in the positronic Fock operator, which allows an appropriate treatment of the positron-molecule repulsion. The present treatment succeeds in reproducing the Doppler shift, i.e., full width at half maximum (FWHM) of experimentally measured annihilation (γ-ray) spectra for molecules with a mean absolute error less than 10%. The numerical results indicate that the interpretation of the FWHM in terms of a specific molecular orbital is not appropriate.

  1. An automatic controlled apparatus of target chamber for atomic spectra and level lifetime measurements

    International Nuclear Information System (INIS)

    Zhao Mengchun; Yang Zhihu

    1998-01-01

    An automatically controlled apparatus of target chamber was made to measure spectra of the excited atoms and lifetime of the excited levels. The hardware is composed of nine parts including a computer and a step-motor, while the software consists of three branch programs. The maximum movable distance of target position is 65 cm with a step-length of 8.3 μm and a precision of +- 18 μm per 2 mm. On account of simple structure and double protection, the apparatus exhibits flexibility and reliability in years service

  2. Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation

    Science.gov (United States)

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

    2016-01-01

    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…

  3. Spontaneous emission spectra and simulating multiple spontaneous generation coherence in a five-level atomic medium

    International Nuclear Information System (INIS)

    Li Jiahua; Liu Jibing; Qi Chunchao; Chen Aixi

    2006-01-01

    We investigate the features of the spontaneous emission spectra in a coherently driven cold five-level atomic system by means of a radio frequency (rf) or microwave field driving a hyperfine transition within the ground state. It is shown that a few interesting phenomena such as spectral-line narrowing, spectral-line enhancement, spectral-line suppression, and spontaneous emission quenching can be realized by modulating the frequency and intensity of the rf-driving field in our system. In the dressed-state picture of the coupling and rf-driving fields, we find that this coherently driven atomic system has three close-lying levels so that multiple spontaneously generated coherence (SGC) arises. Our considered atomic model can be found in real atoms, such as rubidium or sodium, so a corresponding experiment can be done to observe the expected phenomena related to SGC reported by Fountoulakis et al. [Phys. Rev. A 73, 033811 (2006)], since no rigorous conditions are required

  4. Interplay of intra-atomic and interatomic effects: An investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

    International Nuclear Information System (INIS)

    Richter, T.; Wolff, T.; Zimmermann, P.; Godehusen, K.; Martins, M.

    2004-01-01

    The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl 2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d 7 configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds

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

    International Nuclear Information System (INIS)

    Johnson, L.J.S.; Thuvander, M.; Stiller, K.; Odén, M.; Hultman, L.

    2013-01-01

    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

  6. FOREWORD: 4th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas

    Science.gov (United States)

    Leckrone, David S.; Sugar, Jack

    1993-01-01

    In 1983 the Atomic Spectroscopy Group at the University of Lund organized a conference at Lund the purpose of which was to establish a dialogue between scientists whose research made use of basic atomic data, and scientists whose research produced such data. The data in question include complete descriptions of atomic and ionic spectra, accurate transition wavelengths and relative intensities, energy levels, lifetimes, oscillator strengths, line shapes, and nuclear effects (hyperfine structure and isotope shifts). The "consumers" in urgent need of new or improved atomic data included astrophysicsts, laboratory plasma physicists, and spectrochemists. The synergism between these specialists and the theoretical and experimental atomic physicists resulted in a highly successful meeting, attended by approximately 70 people. The rapid advances foreseen at that time in all of these areas of observational, experimental and theoretical science stimulated planning for a second conference on this subject in 1986 at the University of Toledo, and subsequently a third meeting was held at the Royal Netherlands Academy of Arts and Sciences in Amsterdam in 1989. Again attendance at the latter two meetings totaled approximately 70 researchers. The participants in Amsterdam agreed to re-convene at the National Institute of Standards and Technology (NIST) in Gaithersburg, Maryland, in 1992, maintaining the frequency of these conferences at one every three years. The present Topical Issue of Physica Scripta consists of 31 invited reviews given at the Gaithersburg meeting. Extended abstracts of 63 poster papers from the meeting are being published in NIST Special Publication SP850. Approximately 170 scientists attended the Gaithersburg conference, representing a substantial growth in the size of meetings in this series. One session of the conference was devoted to an informal workshop, at which any participant could give a brief oral statement about his or her most immediate data need

  7. Study of absorption spectra for alkali and alkaline earth metal salts in flameless atomic absorption spectrometry using a carbon tube atomizer

    International Nuclear Information System (INIS)

    Yasuda, Seiji; Kakiyama, Hitoo

    1975-01-01

    Absorption spectra of various salts such as alkali metal salts, alkaline earth dichlorides, and ammonium halides were investigated and absorptions of some molecular species produced in the carbon tube were identified. The aqueous solution (20 μl) containing 1.0 mg/ml of each salt was placed in the carbon tube atomizer and heated in a similar manner to usual flameless atomic absorption method. D 2 -lamp was used as a continuous light source and argon gas was employed as an inert sheath gas. The spectra were obtained over the range of wavelength 200 to 350 nm. When alkali halides were feeded, the absorption spectra agreed with those of alkali halide vapors. Therefore, in such cases vapors of the alkali halides were probably produced by the sublimation or vaporization in the atomizer. The spectra of alkali perchlorates were considered to be those of alkali chlorides produced by the pyrolysis of the perchlorates in the atomizer. The absorptions of alkaline earth chlorides below 250 nm were probably due to their gaseous states. Sulfur dioxide was found to be produced by the pyrolysis of alkali sulfates, bisulfates and sulfites in the atomizer, Alkali phosphates and pyrophosphates gave almost identical spectra below 300 nm. Gamma band spectrum of nitrogen monoxide was observed from 200 to 240 nm during ashing at bout 330 0 C for alkali nitrates and nitrites. Ammonia vapor was produced from ammonium halides during drying at about 170 0 C. Although the absorptions of alkali carbonates and hydroxides were almost undetectable, the same spectra as those of alkali halides were observed by the addition of ammonium halides to the solutions of alkali compounds. This shows that alkali halides are produced in the atomizer by the addition of halide ions. (auth.)

  8. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  9. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    International Nuclear Information System (INIS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-01-01

    Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

  10. Atomic substitution in selected high-temperature superconductors: Elucidating the nature of Raman spectra excitations

    Science.gov (United States)

    Hewitt, Kevin Cecil

    2000-10-01

    In this thesis, the effects of atomic substitution on the vibrational and electronic excitations found in the Raman spectra of selected high-temperature superconductors (HTS) are studied. In particular, atomic and isotopic substitution methods have been used to determine the character of features observed in the Raman spectra of Bi2Sr2Ca n-1CunO2 n+4+delta (n = 1 - Bi2201, n = 2 - Bi2212) and YBa2Cu3O7-delta (Y123). In Bi2201, Pb substitution for Bi (and Sr) has led to the reduction and eventual removal of the structural modulation, characteristic of all members of the Bi-family of HTS. The high quality single crystals and our sensitive triple spectrometer enabled identification of a pair of low frequency modes. The modes are determined to arise from shear and compressional rigid-layer vibrations. The normal state of underdoped cuprates is characterized by a pseudogap of unknown origin. In crystals of underdoped Bi2212 a spectral peak found at 590 cm-1, previously attributed to the pairing of quasiparticles (above Tc) and hence to the formation of a normal state pseudogap, has been found to soften by 3.8% with oxygen isotope exchange. In addition, the feature is absent in fully oxygenated and yttrium underdoped crystals. In this study, the first of its kind on underdoped and isotope substituted Bi2212, the feature has been assigned to stretching vibrations of oxygen in the a-b plane. Bi2212 crystals with varying hole concentrations (0.07 Raman scattering experiments that sample the diagonal (B 2g) and principal axes (B1 g) of the BZ have led us to conclude that the superconducting gap possesses dx2-y2 symmetry, in the underdoped and overdoped regimes. It is found that the magnitude of the superconducting gap (Delta(k)) is sensitive to changes in p. Studies of the pair-breaking peak found in the B1g spectra allow us to conclude that the magnitude of the maximum gap (Deltamax) decreases monotonically with increasing hole doping, for p > 0.13. The pair

  11. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals

    Science.gov (United States)

    Hartmann, S. R.; Happer, W.

    1974-01-01

    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.

  12. Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules

    International Nuclear Information System (INIS)

    Wang Feng; Ma Xiaoguang; Selvam, Lalitha; Gribakin, Gleb; Surko, Clifford M

    2012-01-01

    The Doppler-shift spectra of the γ-rays from positron annihilation in molecules were determined by using the momentum distribution of the annihilation electron–positron pair. The effect of the positron wavefunction on spectra was analysed in a recent paper (Green et al 2012 New J. Phys. 14 035021). In this companion paper, we focus on the dominant contribution to the spectra, which arises from the momenta of the bound electrons. In particular, we use computational quantum chemistry models (Hartree–Fock with two basis sets and density functional theory (DFT)) to calculate the wavefunctions of the bound electrons. Numerical results are presented for noble gases and small molecules such as H 2 , N 2 , O 2 , CH 4 and CF 4 . The calculations reveal relatively small effects on the Doppler-shift spectra from the level of inclusion of electron correlation energy in the models. For atoms, the difference in the full-width at half-maximum of the spectra obtained using the Hartree–Fock and DFT models does not exceed 2%. For molecules the difference can be much larger, reaching 8% for some molecular orbitals. These results indicate that the predicted positron annihilation spectra for molecules are generally more sensitive to inclusion of electron correlation energies in the quantum chemistry model than the spectra for atoms are. (paper)

  13. Line Identification of Atomic and Ionic Spectra of Holmium in the Near-UV. Part I. Spectrum of Ho i

    Energy Technology Data Exchange (ETDEWEB)

    Al-Labady, N.; Özdalgiç, B. [Graduate School of Engineering and Sciences, Istanbul University, TR-34452 Beyazıt, Istanbul (Turkey); Er, A.; Güzelçimen, F.; Öztürk, I. K.; Başar, Gö. [Faculty of Science, Department of Physics, Istanbul University, TR-34134 Vezneciler, Istanbul (Turkey); Kröger, S. [Hochschule für Technik und Wirtschaft Berlin, Wilhelminenhofstr. 75A, D-12459 Berlin (Germany); Kruzins, A.; Tamanis, M.; Ferber, R., E-mail: ikanat@istanbul.edu.tr [Laser Centre, The University of Latvia, Rainis Boulevard 19, LV-1586 Riga (Latvia)

    2017-02-01

    The Fourier Transform spectra of a Holmium hollow cathode discharge lamp have been investigated in the UV spectral range from 25,000 up to 31,530 cm{sup −1} (317 to 400 nm). Two Ho spectra have been measured with neon and argon as buffer gases. Based on the intensity ratios from these two spectra, a distinction was made between atomic and ionic lines (ionic lines are discussed in an accompanying paper). Using the known Ho i energy levels, 71 lines could be classified as transitions of atomic Ho, 34 of which have not been published previously. Another 32 lines, which could not be classified, are listed in the literature and assigned as atomic Ho. An additional 370 spectral lines have been assigned to atomic Ho based on the signal-to-noise ratio in the two spectra measured under different discharge conditions, namely with buffer gases argon and neon, respectively. These 370 lines have not been previously listed in the literature.

  14. Position Dependent Spontaneous Emission Spectra of a Λ-Type Atomic System Embedded in a Defective Photonic Crystal

    International Nuclear Information System (INIS)

    Entezar, S. Roshan

    2012-01-01

    We investigate the position dependent spontaneous emission spectra of a Λ-type three-level atom with one transition coupled to the free vacuum reservoir and the other one coupled to a double-band photonic band gap reservoir with a defect mode in the band gap. It is shown that, for the atom at the defect location, we have a two-peak spectrum with a wide dark line due to the strong coupling between the atom and the defect mode. While, when the atom is far from the defect location (or in the absence of the defect mode), the spectrum has three peaks with two dark lines due to the coupling between the atom and the photonic band gap reservoir with the largest density of states near the band edges. On the other hand, we have a four-peak spectrum for the atom at the space in between. Moreover, the average spontaneous emission spectra of the atoms uniformly embedded in high dielectric or low dielectric regions are described. It is shown that the atoms embedded in high (low) dielectric regions far from the defect location, effectively couple to the modes of the lower (upper) photonic band. However, the atoms embedded in high dielectric or low dielectric regions at the defect location, are coupled mainly to the defect modes. While, the atoms uniformly embedded in high (low) dielectric regions with a normal distance from the defect location, are coupled to both of defect and lower (upper) photonic band modes. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  15. Laser resonant ionization spectroscopy and laser-induced resonant fluorescence spectra of samarium atom

    International Nuclear Information System (INIS)

    Jin, Changtai

    1995-01-01

    We have measured new high-lying levels of Sm atom by two-colour resonant photoionisation spectroscopy; we have observed the isotope shifts of Sm atom by laser-induced resonant fluorescence spectroscopy; the lifetime of eight low-lying levels of Sm atom were measured by using pulsed laser-Boxcar technique in atomic beam.

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

    Science.gov (United States)

    Rittenhouse, Robert C.

    2015-01-01

    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,…

  17. Competition between Final-State and Pairing-Gap Effects in the Radio-Frequency Spectra of Ultracold Fermi Atoms

    International Nuclear Information System (INIS)

    Perali, A.; Pieri, P.; Strinati, G. C.

    2008-01-01

    The radio-frequency spectra of ultracold Fermi atoms are calculated by including final-state interactions affecting the excited level of the transition and compared with the experimental data. A competition is revealed between pairing-gap effects which tend to push the oscillator strength toward high frequencies away from threshold and final-state effects which tend instead to pull the oscillator strength toward threshold. As a result of this competition, the position of the peak of the spectra cannot be simply related to the value of the pairing gap, whose extraction thus requires support from theoretical calculations

  18. Determination by vibrational spectra of the strength and the bond length of atoms U and O in uranyl complexes

    International Nuclear Information System (INIS)

    Rodriguez S, A.; Martinez Q, E.

    1996-01-01

    The vibrational spectra of different uranyl compounds were studied. The wave number was related to the harmonic oscillator model and to the mathematical expression of Badger as modified by Jones, to determine the strength and the bond length of atoms U and O in UO 2 2+ . A mathematical simplification develop by us is proposed and its results compared with values obtained by other methods. (Author)

  19. New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Surdoval, Wayne A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Berry, David A. [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Shultz, Travis R. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2018-03-09

    A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation and its relationship to the new equations are presented.

  20. Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra

    International Nuclear Information System (INIS)

    Colgan, J.; Judge, E.J.; Kilcrease, D.P.; Barefield, J.E.

    2014-01-01

    We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe 2 O 3 ). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree–Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available. - Highlights: • LIBS plasma of iron oxide • Ab-initio theoretical Modeling • Discussion of LTE versus non-LTE criteria and assessment • Boltzmann plots for Fe—determination of when LTE is a valid assumption • Emission spectra for Fe—comparison of theoretical modeling and measurement: good agreement obtained

  1. Dependence of EIA spectra on mutual coherence between coupling and probe fields in Cs atomic vapors

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Mi Rang; Kim, Kyoung Dae; Park, Hyun Deok; Kim, Jung Bog [Korea National University of Education, Chungwon (Korea, Republic of); Moon, Han Seb [Korea Research Institute of the Standards and Science, Taejon (Korea, Republic of)

    2002-03-01

    We observed the dependence of EIA spectra on the mutual coherence between the coupling and the probe fields in the D{sub 2}F{sub 9} = 4 {r_reversible} F{sub e} = 5 transition of Cs vapors at room temperature where the coupling and the probe fields were made from one laser source or two independent laser sources. By using one source having a high mutual coherence, we found EIA spectra linewidths much narrower than 0.1 {gamma} on the weak coupling field and the transparent spectra with linewidths narrower than 1 MHz within subnatural absorption on the strong coupling field. On the other hand, where the two sources which were nearly incoherent with each other were used, the absorption profiles showed the same dependence on the coupling power as the spectra for the one source, but their linewidths were broad, on the order of the natural linewidth.

  2. Production and analysis of some atomic emission spectra in the vacuum ultraviolet

    International Nuclear Information System (INIS)

    Meijer, F.G.

    1979-01-01

    The development of technical facilities for spectra analysis are described including the design, construction and adjustment of a grazing incidence spectrograph for the extreme ultraviolet and the improvements in light sources. The investigations of the fifth and fourth spectra of tantalum, the analysis of the sixth spectrum of tungsten, the extension of the analysis of the fourth spectrum of hafnium and a start of the analysis of the seventh spectrum of rhenium are presented. (C.F.)

  3. Measurement of thermal neutron spectra using LINAC in Japan Atomic Energy Research Institute (JAERI)

    International Nuclear Information System (INIS)

    Akino, Fujiyoshi

    1982-01-01

    The exact grasp of thermal neutron spectra in a core region is very important for obtaining accurate thermal neutron group constants in the calculation for the nuclear design of a reactor core. For the accurate grasp of thermal neutron spectra, the capability of thermal neutron spectra to describe the moderator cross-sections for thermal neutron scattering is a key factor. Accordingly, 0 deg angular thermal neutron spectra were measured by the time of flight (TOF) method using the JAERI LINAC as a pulsed neutron source, for light water system added with Cd and In, high temperature graphite system added with boron, and light water-natural uranium heterogeneous multiplication system among the reactor moderators of light water or graphite systems. First, the equations to give the time of flight and neutron flux by TOF method were analyzed, and several corrections were investigated, such as those for detector efficiency, background, the transmission coefficient of air and the Al window of a flight tube, mean emission time of neutrons, and the distortion effect of re-entrant hole on thermal neutron spectra. Then, the experimental system, results and calculation were reported for the experiments on the above three moderator systems. Finally, the measurement of fast neutron spectra in natural uranium system and that of the efficiency of a 6 Li glass scintillator detector are described. (Wakatsuki, Y.)

  4. Interference spectra induced by a bichromatic field in the excited state of a three-level atom

    International Nuclear Information System (INIS)

    Mavroyannis, C.

    1998-01-01

    The interference spectra for the excited state of a three-level atom have been considered, where the strong and the weak atomic transitions leading to an electric dipole allowed excited state and to a metastable excited state are driven by resonant and nonresonant laser fields, respectively. In the low intensity limit of the strong laser field, there are two short lifetime excitations, the spontaneous one described by the weak signal field and the one induced by the strong laser field, both of which appear at the same frequency, and a long lifetime excitation induced by the weak laser field. The maximum intensities (heights) of the two peaks describing the short lifetime excitations take equal positive and negative values and, therefore, cancel each other out completely, while the long lifetime excitation dominates. This indicates the disappearance of the short lifetime excitations describing the strong atomic transition for a period equal to the lifetime of the long lifetime excitation, which is roughly equal to half of the lifetime of the metastable state. The computed spectra have been graphically presented and discussed at resonance and for finite detunings. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  5. Distribution of radiation lifetime and oscillator strengths in atomic and ion spectra

    Energy Technology Data Exchange (ETDEWEB)

    Shabanova, L.N.; Gruzdev, P.F.; Verolajnen, Ya.F. (Leningradskij Gosudarstvennyj Univ. (USSR). Nauchno-Issledovatel' skij Fizicheskij Inst.)

    1984-04-01

    Analysis of present experimental and theoretical data on determination of radiation life time and forces of oscillators for disclosing general regularities inherent in radiation constants inside the atom, homologous atoms inside subgroups of atoms and ions of isoelectronic subsequences is conducted. Another purpose is to chose most reliable values of constants and to obtain extrapolation formulae for their determination on the base of the corresponding statistical processing data and revealed regularities. A hydrogen atom, isoelectronic series NaI-Ni18, isoelectronic series Ne, He, ZnI, CdI are considered. Systematics of radiation life time depending on the basic quantum number is presented. The force of oscillators f is considered on the example of an atomic system with one valent electron outside the locked shell - Li, Na, K, Rb, Cs. Distribution of force density of the oscillator df/dE is considered, here continuous spectrum near the threshold of ionization is regarded simultaneously with discrete spectrum. An interpolation formula for the number f for high members of atom series (n>=10) of alkaline metals is presented. Values of coefficients included in this formula are tabulated.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bidermane, I., E-mail: ieva.bidermane@physics.uu.se [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)

    2015-11-15

    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.

  7. Matrix isolation infrared spectra of O2 and N2 insertion reactions with atomic uranium

    International Nuclear Information System (INIS)

    Hunt, R.D.; Toth, L.M.; Yustein, J.T.; Andrews, L.

    1993-01-01

    Laser ablation of refractory metals can be an effective source of vapor for matrix isolation IR studies. This combination of techniques was used for the first time to study the mechanisms of U vapor reactions with atmospheric components. U atoms and O 2 were codeposited with excess Ar at 12 K. The dominant codeposition products were UO 2 and UO 3 . In contrast, the UO yield was always small because UO 2 is formed by an insertion mechanism. This mechanism was verified in the 16 O 2 / 18 O 2 experiments which failed to produce 16 OU 18 O. The effects of UV photolysis and matrix annealings were also examined. The U atoms and O 2 reaction requires little or no activation energy since UO 2 was formed from cold reagents. New charge-transfer species, (UO 2+ 2 )(O 2- 2 ) and (UO + 2 )(O - 2 ), and a weak complex, UO 3 --O 2 , were primarily produced under conditions which favored further O 2 reactions. Similar U atom and N 2 experiments produced only linear NUN which is also produced by an insertion mechanism. This U reaction represents the first time that atom was observed breaking and inserting into the triple bond of N 2 . Photolysis dramatically increased the NUN yield by 3-fold. Matrix annealings produced weak UN 2 --N 2 and UN 2 --2N 2 complexes

  8. Matrix isolation infrared spectra of O2 and N2 insertion reactions with atomic uranium

    Science.gov (United States)

    Hunt, Rodney D.; Toth, L. Mac; Yustein, Jason T.; Andrews, Lester

    1993-10-01

    Laser ablation of refractory metals can be an effective source of vapor for matrix isolation IR studies. This combination of techniques was used for the first time to study the mechanisms of U vapor reactions with atmospheric components. U atoms and O2 were codeposited with excess Ar at 12 K. The dominant codeposition products were UO2 and UO3. In contrast, the UO yield was always small because UO2 is formed by an insertion mechanism. This mechanism was verified in the 16O2/18O2 experiments which failed to produce 16OU18O. The effects of UV photolysis and matrix annealings were also examined. The U atoms and O2 reaction requires little or no activation energy since UO2 was formed from cold reagents. New charge-transfer species, (UO2+2)(O2-2) and (UO+2)(O-2), and a weak complex, UO3-O2, were primarily produced under conditions which favored further O2 reactions. Similar U atom and N2 experiments produced only linear NUN which is also produced by an insertion mechanism. This U reaction represents the first time that atom was observed breaking and inserting into the triple bond of N2. Photolysis dramatically increased the NUN yield by 3-fold. Matrix annealings produced weak UN2-N2 and UN2-2N2 complexes.

  9. Resonance fluorescence spectra of a three-level atom driven by two strong laser fields

    International Nuclear Information System (INIS)

    Peng Jinsheng.

    1986-12-01

    The resonance fluorescence of a three-level atom interacted with two high-power laser fields is investigated in strong field approximation. The fluorescence distribution is obtained by means of the theory of dressing transformation. (author). 15 refs, 2 figs

  10. Diffraction structures in delta electron spectra emitted in heavy-ion atom collisions

    International Nuclear Information System (INIS)

    Liao, C.; Bhalla, C.; Shingal, R.; Schmidt-Boecking, H.; Shinpaugh, J.; Wolf, W.; Wolf, H.

    1992-01-01

    We have measured doubly differential cross sections DDCS for projectiles between F and Au and find evidence for strong diffraction structure in the Binary Encounter region of the emitted electron spectra for Au(Z=79), I(Z=53) and Cu(Z=29) projectiles, however not for F projectiles in the collision energy range between 0.2 and 0.5 MeV/u. (orig.)

  11. Bremsstrahlung spectra for Al, Cs, and Au atoms in high-temperature, high-density plasmas

    International Nuclear Information System (INIS)

    Kim, L.; Pratt, R.H.; Tseng, H.K.

    1985-01-01

    Results are presented from a numerical calculation for the bremsstrahlung spectrum and Gaunt factors of Al, Cs, and Au atoms in high-temperature (-T), high-density (-rho) plasmas. Plasma temperatures kT = 0.1 and 1.0 keV and plasma densities rho = rho 0 (the normal solid density) and rho = 100rho 0 are considered. This allows us to determine the generality and identify the origins of features which we had previously identified in calculations for Cs. We also now present results for the total energy loss of an electron in such a plasma. We use a relativistic multipole code which treats the bremsstrahlung process as a single-electron transition in a static screened central potential. We take for the static potential corresponding to an atom in a hot dense plasma the finite-temperature, finite-density Thomas-Fermi model. This approach corresponds to an average atom in local thermodynamic equilibrium. In comparison to isolated-neutral-atom results we observe general suppression of cross sections and a particular suppression in the tip region of the spectrum. Within this model, both superscreening and shape resonances are found in the circumstances of extreme density. At more normal densities and except for the soft-photon end, the spectrum at these energies for an atom in a hot plasma (characterized by an average degree of ionization) can be well represented by the spectrum of the corresponding isolated ion, which has a similar potential shape at the distances which characterize the process

  12. Application of some Hartree-Fock model calculations to the analysis of atomic and free-ion optical spectra

    International Nuclear Information System (INIS)

    Hayhurst, T.L.

    1980-01-01

    Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multiconfiguration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e. wavefunctions with radical correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the KI sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: Energy levels of the Uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd

  13. Application of some Hartree-Fock model calculations to the analysis of atomic and free-ion optical spectra

    International Nuclear Information System (INIS)

    Hayhurst, T.L.

    1980-05-01

    Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multi-configuration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e., wavefunctions with radial correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the K I sequence from K 0+ through Fe 7+ , fitting to experimental levels for V 4+ , and Cr 5+ ; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: energy levels of the uranium hexahalide complexes, (UX 6 ) 2- for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f 2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd

  14. EUV Spectra of High Z Impurities from Large Helical Device and Atomic Data

    International Nuclear Information System (INIS)

    Kato, T.; Suzuki, C.; Funaba, H.; Sato, K.; Murakami, I.; Kato, D.; Sakaue, H.; O’Sullivan, G.; Harte, C.; White, J.; D’Arcy, R.; Tanuma, H.; Nakamura, N.

    2017-01-01

    The results of experiments on high Z impurity injection in the Large Helical Device at the National Institute for Fusion Science are described. Spectra from Xe, Sn and W ions were recorded in the extreme ultraviolet spectral region. Two different situations were observed in the case of Xe and Sn, depending on whether or not the plasma underwent radiative collapse. If the plasma was stable, the spectrum consisted of a number of strong lines and in both cases the strongest contribution was from 4p - 4d transitions of Cu-like ions. If the plasma underwent radiative collapse in each case it was dominated by an intense unresolved transition array with some strong lines overlapping it resulting from 4p 6 4d m - 4p 5 4d m+1 + 4p 6 4d m-1 4f transitions. For tungsten, radiative collapse was not observed though the spectrum here was dominated by the same array which lies between 4.5 and 7 nm with some additional contribution at the same wavelength from 4d 10 4f m - 4d 9 4f m+1 and 4d 10 4f m - 4d 10 4f m-1 5d transitions in lower stages also. From observation and comparison with other sources, it is shown that the spectra are dominated by resonance transitions to the ground state of the emitting ions, in marked contrast to results from charge exchange spectra that had been recorded to assist with ion stage separation. In the case of tungsten, no sharp lines are seen though the profile of the unresolved array structure changes with plasma temperature and the origin of these changes can be traced to differences in the populations of contributing ions. New assignments for lines of Xe XVIII, Sn XIX and Sn XVII of 4p - 4d transitions are listed in Tables. Strong lines of W, Xe and Sn ions in EUV range are also tabulated. (author)

  15. Quadratic Zeeman spectra for the hydrogen atom by means of semiclassical quantization

    International Nuclear Information System (INIS)

    Hasegawa, Hiroshi; Adachi, Satoshi

    1988-01-01

    The elliptic cylindrical coordinates of type I adapted to the Fock hypersphere in momentum space of the Kepler motion and their canonical momenta are used to construct an analytic form of the classical action integrals which yield an adequate parametrization of the KAM (Kolmogorov-Arnold-Moser) tori of the Kepler trajectories weakly perturbed by a uniform magnetic field. The semiclassical quantization formula so provided presents a prototype of the exact EBK (Einstein-Brillouin-Keller) quantization scheme, and the resulting quantized energies vs the magnetic field strength correspond to the quadratic Zeeman spectra of each Rydberg multiplet lifted by the perturbation. (author)

  16. Research as a guide for curriculum development: An example from introductory spectroscopy. II. Addressing student difficulties with atomic emission spectra

    Science.gov (United States)

    Ivanjek, L.; Shaffer, P. S.; McDermott, L. C.; Planinic, M.; Veza, D.

    2015-02-01

    This is the second of two closely related articles (Paper I and Paper II) that together illustrate how research in physics education has helped guide the design of instruction that has proved effective in improving student understanding of atomic spectroscopy. Most of the more than 1000 students who participated in this four-year investigation were science majors enrolled in the introductory calculus-based physics course at the University of Washington (UW) in Seattle, WA, USA. The others included graduate and undergraduate teaching assistants at UW and physics majors in introductory and advanced physics courses at the University of Zagreb, Zagreb, Croatia. About half of the latter group were preservice high school physics teachers. Paper I describes how several conceptual and reasoning difficulties were identified among university students as they tried to relate a discrete line spectrum to the energy levels of atoms in a light source. This second article (Paper II) illustrates how findings from this research informed the development of a tutorial that led to improvement in student understanding of atomic emission spectra.

  17. Fingerprints of exceptional points in the survival probability of resonances in atomic spectra

    International Nuclear Information System (INIS)

    Cartarius, Holger; Moiseyev, Nimrod

    2011-01-01

    The unique time signature of the survival probability exactly at the exceptional point parameters is studied here for the hydrogen atom in strong static magnetic and electric fields. We show that indeed the survival probability S(t)=| | 2 decays exactly as |1-at| 2 e -Γ EP t/(ℎ/2π) , where Γ EP is associated with the decay rate at the exceptional point and a is a complex constant depending solely on the initial wave packet that populates exclusively the two almost degenerate states of the non-Hermitian Hamiltonian. This may open the possibility for a first experimental detection of exceptional points in a quantum system.

  18. Fingerprints of exceptional points in the survival probability of resonances in atomic spectra

    Science.gov (United States)

    Cartarius, Holger; Moiseyev, Nimrod

    2011-07-01

    The unique time signature of the survival probability exactly at the exceptional point parameters is studied here for the hydrogen atom in strong static magnetic and electric fields. We show that indeed the survival probability S(t)=||2 decays exactly as |1-at|2e-ΓEPt/ℏ, where ΓEP is associated with the decay rate at the exceptional point and a is a complex constant depending solely on the initial wave packet that populates exclusively the two almost degenerate states of the non-Hermitian Hamiltonian. This may open the possibility for a first experimental detection of exceptional points in a quantum system.

  19. Classical Monopoles: Newton, NUT-space, gravomagnetic lensing and atomic spectra

    OpenAIRE

    Lynden-Bell, Donald; Nouri-Zonoz, Mohammad

    1996-01-01

    Stimulated by a scholium in Newton's Principia we find some beautiful results in classical mechanics which can be interpreted in terms of the orbits in the field of a mass endowed with a gravomagnetic monopole. All the orbits lie on cones! When the cones are slit open and flattened the orbits are exactly the ellipses and hyperbolae that one would have obtained without the gravomagnetic monopole. The beauty and simplicity of these results has led us to explore the similar problems in Atomic Ph...

  20. Tensor decompositions for the analysis of atomic resolution electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Spiegelberg, Jakob; Rusz, Ján [Department of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala (Sweden); Pelckmans, Kristiaan [Department of Information Technology, Uppsala University, Box 337, S-751 05 Uppsala (Sweden)

    2017-04-15

    A selection of tensor decomposition techniques is presented for the detection of weak signals in electron energy loss spectroscopy (EELS) data. The focus of the analysis lies on the correct representation of the simulated spatial structure. An analysis scheme for EEL spectra combining two-dimensional and n-way decomposition methods is proposed. In particular, the performance of robust principal component analysis (ROBPCA), Tucker Decompositions using orthogonality constraints (Multilinear Singular Value Decomposition (MLSVD)) and Tucker decomposition without imposed constraints, canonical polyadic decomposition (CPD) and block term decompositions (BTD) on synthetic as well as experimental data is examined. - Highlights: • A scheme for compression and analysis of EELS or EDX data is proposed. • Several tensor decomposition techniques are presented for BSS on hyperspectral data. • Robust PCA and MLSVD are discussed for denoising of raw data.

  1. Atomic Emission Spectra Diagnosis and Electron Density Measurement of Semiconductor Bridge (SCB) Plasma

    International Nuclear Information System (INIS)

    Feng Hongyan; Zhu Shunguan; Zhang Lin; Wan Xiaoxia; Li Yan; Shen Ruiqi

    2010-01-01

    Emission spectra of a semiconductor bridge (SCB) plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the A1 I 394.4 nm Stark width. Based on the Saha equation, a system for recording the intensity of Si I 390.5 nm and Si II 413.1 nm was designed. With this technique, the SCB plasma electron density was measured well and accurately. Moreover, the electron density distribution Vs time was acquired from one SCB discharge. The individual result from the broadening of the Al I 394.4 nm Stark width and Saha equation was all in the range of 10 15 cm -3 to 10 16 cm -3 . Finally the presumption of the local thermodynamic equilibrium (LTE) condition was validated.

  2. FOREWORD: The 5th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas

    Science.gov (United States)

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

    1996-01-01

    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

  3. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States)

    2016-06-21

    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.

  4. MID-INFRARED ATOMIC FINE-STRUCTURE EMISSION-LINE SPECTRA OF LUMINOUS INFRARED GALAXIES: SPITZER/IRS SPECTRA OF THE GOALS SAMPLE

    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: inami@noao.edu [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency (Japan); and others

    2013-11-10

    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

  5. 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.

    2010-01-01

    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...

  6. Raman Spectra of ZrS2 and ZrSe2 from Bulk to Atomically Thin Layers

    Directory of Open Access Journals (Sweden)

    Samuel Mañas-Valero

    2016-09-01

    Full Text Available In the race towards two-dimensional electronic and optoelectronic devices, semiconducting transition metal dichalcogenides (TMDCs from group VIB have been intensively studied in recent years due to the indirect to direct band-gap transition from bulk to the monolayer. However, new materials still need to be explored. For example, semiconducting TMDCs from group IVB have been predicted to have larger mobilities than their counterparts from group VIB in the monolayer limit. In this work we report the mechanical exfoliation of ZrX2 (X = S, Se from bulk down to the monolayer and we study the dimensionality dependence of the Raman spectra in ambient conditions. We observe Raman signal from bulk to few layers and no shift in the peak positions is found when decreasing the dimensionality. While a Raman signal can be observed from bulk to a bilayer for ZrS2, we could only detect signal down to five layers for flakes of ZrSe2. These results show the possibility of obtaining atomically thin layers of ZrX2 by mechanical exfoliation and represent one of the first steps towards the investigation of the properties of these materials, still unexplored in the two-dimensional limit.

  7. Accurate atom-solid kinetic energy shifts from the simultaneous measurement of the KLL Auger spectra for Na, Mg, Al and Si

    International Nuclear Information System (INIS)

    Aksela, S; Turunen, P; Kantia, T; Aksela, H

    2011-01-01

    KLL Auger-energy shifts between free atoms and their solid surfaces were determined from spectra measured simultaneously in identical experimental conditions. Essentially, the shift values obtained for Na, Mg, Al and Si were more accurate than those achieved by combining the results from separate vapour and solid measurements. Using atomic Auger energies and determined shifts, reliable absolute solid state Auger energies with respect to the vacuum level were also obtained. Experimental shift values were also compared with calculations obtained with the excited atom model. 2s and 2p binding energy shifts were estimated from recent high resolution and due to open shell strongly split vapour phase spectra and corresponding published solid state results. Also, the question of the extent to which the 2s and 2p shifts deviate has been discussed here. (paper)

  8. Atoms

    International Nuclear Information System (INIS)

    Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

    2014-01-01

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  9. FTIR and FT-Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5-bromouracil

    Czech Academy of Sciences Publication Activity Database

    Rastogi, V.K.; Palafox, M. A.; Mittal, L.; Peica, N.; Keifer, W.; Lang, Kamil; Ojha, S.P.

    2007-01-01

    Roč. 38, č. 10 (2007), s. 1227-1241 ISSN 0377-0486 Institutional research plan: CEZ:AV0Z40320502 Keywords : FTIR and FT-Raman spectra * density functional computations * molecular geometry Subject RIV: CA - Inorganic Chemistry Impact factor: 3.514, year: 2007

  10. Analysis of x-ray spectra emitted from highly ionized atoms in the vacuum spark and laser-produced high power plasma sources

    International Nuclear Information System (INIS)

    Mandelbaum, P.

    1987-05-01

    The interest in atomic spectroscopy has greatly been reinforced in the last ten years. This gain of interest is directly related to the developments in different fields of research where hot plasmas are created. These fields include in particular controlled thermonuclear fusion research by means of inertial or magnetic confinement approaches and also the most recent efforts to achieve lasers in the XUV region. The present work is based on the specific contribution of the atomic spectroscopy group at the Hebrew University. The recent development of both theoretical and experimental tools allowed us to progress in the understanding of the highly ionized states of heavy elements. In this work the low-inductance vacuum-spark developed at the Hebrew University was used as the hot plasma source. The spectra were recorded in the 7-300 A range by means of a high-resolution extreme-grazing-incidence spectrometer developed at the Racah Institute by Profs. J.L. Schwob and B.S. Fraenkel. To the extend the spectroscopic studies to higher-Z atoms, the laser-produced plasma facility at Soreq Nuclear Center was used. In this work the spectra of the sixth row elements were recorded in the x-rays by means of a crystal spectrometer. All these experimental systems are briefly described in chapter one. Chapter two deals with the theoretical methods used in the present work for the atomic calculations. Chapter three deals with the spectra of elements of the fifth row emitted from the vacuum-spark in the 30-150 A range. These spectra as experimental data were used in order to test ab-initio computations along the NiI sequence 3d-nl transitions. The results of this work are presented in chapter four. Chapter five is devoted to the measurement and analysis of spectra emitted from the vacuum-spark by rare-earth elements. (author)

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

    CERN Multimedia

    2002-01-01

    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.

  12. IDEN2-A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules

    Science.gov (United States)

    Azarov, V. I.; Kramida, A.; Vokhmentsev, M. Ya.

    2018-04-01

    The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently.

  13. Atom

    International Nuclear Information System (INIS)

    Auffray, J.P.

    1997-01-01

    The atom through centuries, has been imagined, described, explored, then accelerated, combined...But what happens truly inside the atom? And what are mechanisms who allow its stability? Physicist and historian of sciences, Jean-Paul Auffray explains that these questions are to the heart of the modern physics and it brings them a new lighting. (N.C.)

  14. A correlation between isomer shifts of 237Np Moessbauer spectra and coordination numbers of Np atoms in neptunyl(V) compounds

    International Nuclear Information System (INIS)

    Saeki, M.; Nakada, M.; Nakamoto, T.; Yamashita, T.; Masaki, N.M.; Krot, N.N.

    1999-01-01

    Five neptunyl(V) compounds were synthesized and studied by 237 Np Moessbauer spectroscopy. The isomer shifts (δ) of the Moessbauer spectra ranged from -18.6 to -19.1 mm/s for the compounds with Np atoms surrounded by 7 oxygen atoms (coordination number (CN) 7). On the other hand, the larger value of δ was obtained for the compound with CN 8. From the comparison of the present results with those reported on neptunyl(V) and (VI) compounds, it is concluded that there is a correlation between the δ and the CN for neptunyl(V) compounds, and the distribution of δ is narrower for neptunyl(V) compounds than that of neptunyl(VI) compounds. (author)

  15. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    International Nuclear Information System (INIS)

    Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

    2006-01-01

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

  16. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

    2006-05-15

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

  17. The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction

    International Nuclear Information System (INIS)

    Luppi, Eleonora; Head-Gordon, Martin

    2013-01-01

    We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L= 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model

  18. 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

    2006-01-01

    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.

  19. 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

    2017-05-01

    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.

  20. Explicit Hilbert-space representations of atomic and molecular photoabsorption spectra: Computational studies of Stieltjes-Tchebycheff functions

    International Nuclear Information System (INIS)

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

    1983-01-01

    Explicit Hilbert-space techniques are reported for construction of the discrete and continuum Schroedinger states required in atomic and molecular photoexcitation and/or photoionization studies. These developments extend and clarify previously described moment-theory methods for determinations of photoabsorption cross sections from discrete basis-set calculations to include explicit construction of underlying wave functions. The appropriate Stieltjes-Tchebycheff excitation and ionization functions of nth order are defined as Radau-type eigenstates of an appropriate operator in an n-term Cauchy-Lanczos basis. The energies of these states are the Radau quadrature points of the photoabsorption cross section, and their (reciprocal) norms provide the corresponding quadrature weights. Although finite-order Stieltjes-Tchebycheff functions are L 2 integrable, and do not have asymptotic spatial tails in the continuous spectrum, the Radau quadrature weights nevertheless provide information for normalization in the conventional Dirac delta-function sense. Since one Radau point can be placed anywhere in the spectrum, appropriately normalized convergent approximations to any of the discrete or continuum Schroedinger states are obtained from the development. Connections with matrix partitioning methods are established, demonstrating that nth-order Stieltjes-Tchebycheff functions are optical-potential solutions of the matrix Schroedinger equation in the full Cauchy-Lanczos basis

  1. Impact of Coulomb potential on peak structures arising in momentum and low-energy photoelectron spectra produced in strong-field ionization of laser-irradiated atoms

    Science.gov (United States)

    Pyak, P. E.; Usachenko, V. I.

    2018-03-01

    The phenomenon of pronounced peak structure(s) of longitudinal momentum distributions as well as a spike-like structure of low-energy spectra of photoelectrons emitted from laser-irradiated Ar and Ne atoms in a single ionization process is theoretically studied in the tunneling and multiphoton regimes of ionization. The problem is addressed assuming only the direct above-threshold ionization (ATI) as a physical mechanism underlying the phenomenon under consideration (viz. solely contributing to observed photoelectron momentum distributions (PMD)) and using the Coulomb-Volkov (CV) ansatz within the frame of conventional strong-field approximation (SFA) applied in the length-gauge formulation. The developed CV-SFA approach also incorporates the density functional theory essentially exploited for numerical composition of initial (laser-free) atomic state(s) constructed from atomic orbitals of Gaussian type. Our presented CV-SFA based (and laser focal-volume averaged) calculation results proved to be well reproducing both the pronounced double-peak and/or ATI-like multi-peak structure(s) experimentally observed in longitudinal PMD under conditions of tunneling and/or multiphoton regime, respectively. In addition, our CV-SFA results presented for tunneling regime also suggest and remarkably reproduce a pronounced structure observed in relevant experiments as a ‘spike-like’ enhanced maximum arising in low-energy region (around the value of about 1 eV) of photoelectron spectra. The latter consistency allows to identify and interpret these results as the so-called low-energy structure (LES) since the phenomenon proved to appear as the most prominent if the influence of Coulomb potential on photoelectron continuum states is maximally taken into account under calculations (viz. if the parameter Z in CV’s functions is put equal to 1). Moreover, the calculated LES proved to correspond (viz., established as closely related) to the mentioned double-peak structure arising

  2. Mass attenuation coefficient (μ/ρ), effective atomic number (Zeff) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

    International Nuclear Information System (INIS)

    Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S.; Goncalves Z, E.

    2015-10-01

    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 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 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)

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

    KAUST Repository

    Li, Yangyang

    2014-07-01

    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

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

    KAUST Repository

    Li, Yangyang; Zhu, Xinhua; Al-Kassab, Talaat

    2014-01-01

    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 constants of

  5. Classification of X-ray spectra from laser produced plasmas of atoms from Tm to Pt in the range 6-9A

    International Nuclear Information System (INIS)

    Mandelbaum, P.; Klapisch, M.; Bar-Shalom, A.; Schwob, J.L.; Zigler, A.

    1983-01-01

    X-ray spectra of highly ionized tungsten and neighbouring atoms (Tm, Yb, Hf, Ta, W, Re and Pt) has been observed from laser produced plasmas in the lambda = 6-9A range. Beside the prominent lines of the Ni I-like ions, lines belonging to Co I (3d 9 -3d 8 4p), Cu I (3d 10 4s-3d 9 4s4p, 3d 10 4p-3d 9 4p 2 ) and Zn I-like ions (3d 10 4s 2 -3d 9 4s 2 4p, 3d 10 4s4p-3d 9 4s4p 2 ) have been identified. Classification was based on isoelectronic sequence analysis and on comparison with ab-initio relativistic calculations. A collisional-radiative model of the Cu I-like ions in the plasma is used to show that the contribution of the 3d 10 4d-3d 9 4p4d and 3d 10 4f-3d 9 4f4p transition arrays to the 3d-4p spectrum is small. The importance of configuration interaction is pointed out. Computations agree with measurements within experimental uncertainty. (Auth.)

  6. Spectra of atoms and molecules

    CERN Document Server

    Bernath, Peter F

    2005-01-01

    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...

  7. Atom spectroscopy

    International Nuclear Information System (INIS)

    Kodling, K.

    1981-01-01

    Experiments on atom photoabsorption spectroscopy using synchrotron radiation in the 10-1000 eV range are reviewed. Properties of the necessary synchrotron radiation and the experiment on absorption spectroscopy are briefly described. Comparison with other spectroscopy methods is conducted. Some data on measuring photoabsorption, photoelectron emission and atom mass spectra are presented [ru

  8. 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

    Science.gov (United States)

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

    2013-01-01

    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.

  9. Atoms - molecules - nuclei. Vol. 1

    International Nuclear Information System (INIS)

    Otter, G.; Honecker, R.

    1993-01-01

    This first volume covers the following topics: Wave-particle dualism, classical atomic physics; the Schroedinger equation, angular momentum in quantum physics, one-electron atoms and many-electron atoms with atomic structure, atomic spectra, exotic atoms, influence of electric and magnetic fields

  10. Influence of Doppler and 'Stark' effects on the shape of the autoionization peaks in electron energy spectra produced in ion-atom collisions

    International Nuclear Information System (INIS)

    Gleizes, A.; Benoit-Cattin, P.; Bordenave-Montesquieu, A.; Merchez, H.

    1976-01-01

    A detailed study is given of the influence of the Doppler shift and broadening on the spectra of electrons ejected by autoionization in collisions between heavy particles. General formulae have been obtained which permit the validity of results already published by other authors to be discussed. These results have been applied to the spectra of electrons ejected in He + -He collisions at 15 keV. The variation of the width of the autoionization peaks against ejection angle is well explained by Doppler broadening. On the contrary, the shape of these peaks cannot be due to the Doppler effect but rather to the Stark effect which is also studied in various experimental cases; it has been verified that the latter effect disappears in collisions between neutral particles for which symmetric peaks at 15 keV are obtained. (author)

  11. Infrared Spectra and Structures of SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} Intermediates Prepared in Reactions of Laser-ablated Silicon Atoms with Ethane

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Han-Gook [Incheon National University, Incheon (Korea, Republic of); Andrews, Lester [University of Virginia, Charlottesville (United States)

    2016-03-15

    SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} were observed in the matrix IR spectra following reactions of laser-ablated Si atoms with ethane on the basis of correlation with computed frequencies. Evidently photon energy is required for the formation of the cyclic Si compound. These Si complexes are similar to the primary products in the previous studies of group 4 metals, in line with the previous results that s{sup 2}p{sup 2} and s{sup 2}d{sup 2} electronic configurations yield similar products. The relatively long C–C bond in the cyclic Si product reflects the structural strain, and the short C-Si and C-C bonds of CH{sub 3}CH=SiH{sub 2} and CH{sub 2}=CH-SiH{sub 3} show that they are true double bonds in line with the natural bond orders. Reactions of transition-metal atoms with small alkanes and halomethanes have been studied in a series of recent investigations. High oxidation-state products (methylidenes and methylidynes) along with insertion complexes were identified in the matrix spectra. It is interesting whether or not Si, a group 14 metalloid, undergoes similar reactions with larger hydrocarbons to provide higher oxidation-state compounds.

  12. Projectile charge dependence of the ionisation spectra for H sup + and sup 3 He sup 2+ ions on He and Ne atoms

    Energy Technology Data Exchange (ETDEWEB)

    Bernardi, G.; Garibotti, C.R.; Suarez, S. (Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina)); Fainstein, P. (Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche)

    1990-05-14

    The spectra of electrons emitted in the collisions of H{sup +} and {sup 3}He{sup 2+} on He at 50 and 100 keV, and on Ne gas at 100 keV were studied. For fixed angle the double differential cross section is analysed as a function of the velocity variable, which has a maximum about halfway between the soft electron and the electron capture to continuum peaks. The experimental results show that the position of this maximum does not depend on the projectile charge. Calculations using the continuum-distorted-wave-eikonal-initial-state approximation are in qualitative agreement with our measurements. (author).

  13. Bremsstrahlung in atom-atom collisions

    International Nuclear Information System (INIS)

    Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.

    1985-01-01

    It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon

  14. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

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

    2005-01-01

    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.

  15. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

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

    1978-01-01

    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)

  16. Proton and electron impact on molecular and atomic oxygen: I. High resolution fluorescence spectra in the visible and VUV spectral range and emission cross-sections for dissociative ionisation and excitation of O2

    International Nuclear Information System (INIS)

    Wilhelmi, O.; Schartner, K.H.

    2000-01-01

    For pt.II see ibid., vol.11, p.45-58, 2000. Molecular oxygen O 2 was dissociated in collisions with protons and electrons in the intermediate velocity range (p + -energies: 17-800 keV, e - -energies: 0.2-2 keV). Fluorescence from excited atomic and singly ionised fragments and from singly ionised molecules was detected in the VUV and in the visible and near UV spectral range. Highly resolved spectra are presented for the VUV (46-131 nm) and the near UV/visible (340-605 nm) spectral range. Absolute emission cross-sections have been determined for dissociative ionisation and excitation leading to fluorescence in the VUV. Results are compared with published data. (orig.)

  17. Structure and properties of CdO-B2O3 and CdO-MnO-B2O3 glasses; Criteria of getting the fraction of four coordinated boron atoms from infrared spectra

    Science.gov (United States)

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

    2017-11-01

    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.

  18. Quasi-atoms

    International Nuclear Information System (INIS)

    Armbruster, P.

    1976-01-01

    The concept of a quasi-atom is discussed, and several experiments are described in which molecular or quasi-atomic transitions have been observed. X-ray spectra are shown for these experiments in which heavy ion projectiles were incident on various targets and the resultant combined system behaved as a quasi-atom. This rapidly developing field has already given new insight into atomic collision phenomena. (P.J.S.)

  19. 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: madelon@cdtn.br [Pontifice Catholic University of Minas Gerais, Av. Dom Jose Gaspar 500, Belo Horizonte 30535-901, Minas Gerais (Brazil)

    2015-10-15

    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)

  20. Atomic Spectra and the Vector Model

    Science.gov (United States)

    Candler, A. C.

    2015-05-01

    12. Displaced terms; 13. Combination of several electrons; 14. Short periods; 15. Long periods; 16. Rare earths; 17. Intensity relsations; 18. Sum rules and (jj) coupling; 19. Series limit; 20. Hyperfine structure; 21. Quadripole radiation; 22. Fluorescent crystals; Appendix 5. Key to references; Appendix 6. Bibliography; Subject index; Author index.

  1. Auger spectra of alkanes

    International Nuclear Information System (INIS)

    Rye, R.R.; Jennison, D.R.; Houston, J.E.

    1980-01-01

    The gas-phase Auger line shapes of the linear alkanes C 1 through C 6 and of neopentane are presented and analyzed. The general shape of the spectra are characteristic of carbon in a tetrahedral environment with the major feature in all cases occurring at approx.249 eV. The relatively large spectral changes found between methane and ethane results from the direct interaction of the terminal methyl groups in ethane, and the spectra of the higher alkanes are shown to be a composite of contributions from terminal methyl and interior methylene group carbon atoms. Theoretical analysis based on a one-electron approximation is shown to be capable of making a molecular orbital assignment by comparing calculated vertical transitions to features in the Auger spectra of ethane and propane, and, in the case of ethane, of differentiating between the 2 E/sub g/ and 2 A/sub 1g/ assignment of the ground state of (C 2 H 6 ) + . A one-electron based molecular orbital treatment, however, is shown to partially break down in propane and neopentane. Analysis of neopentane and the observed absence of any noticeable major peak energy shift with increasing molecular size (as predicted by the one-electron treatment) suggests that some Auger final states occur in which both valence holes are localized on the same subunit of the molecule

  2. 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

    2004-01-01

    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 + CH3O(CF2CF2O)(n)CH3) = (2.9 +/- 0.5) x 10(-11) cm(3) molecule(-1) s(-1) leading to an estimated atmospheric lifetime of 2 years for CH3O(CF2CF2O),CH3. The Cl initiated oxidation of CH3O(CF2CF2O),CH3 in air diluent gives CH3O(CF2CF2O)(n)C(O)H in a yield which is indistinguishable from 100 Further...... oxidation leads to the diformate, H(O)CO(CF2CF2O)(n)C(O)H. A rate constant of k(Cl + CH3O(CF2CF2O)(n)CHO) = (1.81 +/- 0.36) x 10(-13) cm(3) molecule(-1) s-1 was determined. Quantitative infrared spectra for CH3O(CF2CF2O)(n)CH3 (n = 1-3) were recorded and used to estimate halocarbon global warming potentials...

  3. An experiment on multibubble sonoluminescence spectra in sodium chloride solution

    Institute of Scientific and Technical Information of China (English)

    CHEN Zhan; XU JunFeng; HUANG Wei; CHEN WeiZhong; MIAO GuoQing

    2008-01-01

    We investigated experimentally the spectra of MBSL in sodium chloride water solution with krypton as dissolved gas. We observed and compared the spectra of hydroxyl ion at 310 nm and that of sodium atom at 589 nm. It has been found that under the same experimental condition, the intensity of sodium atom spectra is obviously higher than that of the hydroxyl ion spectra, and is more sensitive to the experimental condition. The krypton content, the concentration of sodium chloride solution, and the driving sound pressure obviously affect the spectra intensity in certain range.

  4. Antiprotonic-hydrogen atoms

    International Nuclear Information System (INIS)

    Batty, C.J.

    1989-07-01

    Experimental studies of antiprotonic-hydrogen atoms have recently made great progress following the commissioning of the low energy antiproton facility (LEAR) at CERN in 1983. At the same time our understanding of the atomic cascade has increased considerably through measurements of the X-ray spectra. The life history of the p-bar-p atom is considered in some detail, from the initial capture of the antiproton when stopping in hydrogen, through the atomic cascade with the emission of X-rays, to the final antiproton annihilation and production of mesons. The experiments carried out at LEAR are described and the results compared with atomic cascade calculations and predictions of strong interaction effects. (author)

  5. Atomic beams probe surface vibrations

    International Nuclear Information System (INIS)

    Robinson, A.L.

    1982-01-01

    In the last two years, surface scientist have begun trying to obtain the vibrational frequencies of surface atoms in both insulating and metallic crystals from beams of helium atoms. It is the inelastic scattering that researchers use to probe surface vibrations. Inelastic atomic beam scattering has only been used to obtain vibrational frequency spectra from clean surfaces. Several experiments using helium beams are cited. (SC)

  6. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  7. Physics of atoms and molecules

    International Nuclear Information System (INIS)

    Bransden, B.H.; Joachain, C.J.

    1983-01-01

    This book presents a unified account of the physics of atoms and molecules at a level suitable for second- and third-year undergraduate students of physics and physical chemistry. Following a brief historical introduction to the subject the authors outline the ideas and approximation methods of quantum mechanics to be used later in the book. Six chapters look at the structure of atoms and the interactions between atoms and electromagnetic radiation. The authors then move on to describe the structure of molecules and molecular spectra. Three chapters deal with atomic collisions, the scattering of electrons by atoms and the scattering of atoms by atoms. The concluding chapter considers a few of the many important applications of atomic physics within astrophysics, laser technology, and nuclear fusion. Problems are given at the end of each chapter, with hints at the solutions in an appendix. Other appendices include various special topics and derivations together with useful tables of units. (author)

  8. Observation and analysis of X-ray spectra of highly-ionized atoms produced by laser irradiation in the wavelength range 0.60 nm to 0.95 nm

    International Nuclear Information System (INIS)

    Wyart, J.-F.; Ecole Polytech., Palaiseau; Fajardo, M.; Missalla, T.; Gauthier, J.-C.; Chenais-Popovics, C.; Klopfel, D.; Uschmann, I.; Foerster, E.

    1999-01-01

    The spectra of highly-charged ions produced by laser irradiation on flat targets at about 5 x 10 14 Wcm -2 are recorded in the range from 0.60 nm to 0.95 nm (6 A to 9.5 A) by means of two spectrographs (a flat ADP crystal and a Johann SiO 2 crystal spectrograph). The identification of the lines is supported by calculations of energies and transition probabilities in the relativistic parametric potential model. New identifications in several spectra of iron (Fe XXIII to Fe XXI), sodium-like strontium, Sr XXVIII, magnesium-like indium. In XXXVIII, and cobalt-like samarium, Sm XXXVI, are given. In the case of Fe XXIII, relativistic and non-relativistic (Cowan) ab initio calculations are compared. (orig.)

  9. Uranium spectra in the ICP

    Energy Technology Data Exchange (ETDEWEB)

    Ghazi, A.A.; Qamar, S.; Atta, M.A. (Khan (A.Q.) Research Labs., Rawalpindi (Pakistan))

    1994-05-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author).

  10. Uranium spectra in the ICP

    International Nuclear Information System (INIS)

    Ghazi, A.A.; Qamar, S.; Atta, M.A.

    1994-01-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author)

  11. Differential dpa calculations with SPECTRA-PKA

    Science.gov (United States)

    Gilbert, M. R.; Sublet, J.-Ch.

    2018-06-01

    The processing code SPECTRA-PKA produces energy spectra of primary atomic recoil events (or primary knock-on atoms, PKAs) for any material composition exposed to an irradiation spectrum. Such evaluations are vital inputs for simulations aimed at understanding the evolution of damage in irradiated material, which is generated in cascade displacement events initiated by PKAs. These PKA spectra present the full complexity of the input (to SPECTRA-PKA) nuclear data-library evaluations of recoil events. However, the commonly used displacements per atom (dpa) measure, which is an integral measure over all possible recoil events of the displacement damage dose, is still widely used and has many useful applications - as both a comparative and correlative quantity. This paper describes the methodology employed that allows the SPECTRA-PKA code to evaluate dpa rates using the energy-dependent recoil (PKA) cross section data used for the PKA distributions. This avoids the need for integral displacement kerma cross sections and also provides new insight into the relative importance of different reaction channels (and associated different daughter residual and emitted particles) to the total integrated dpa damage dose. Results are presented for Fe, Ni, W, and SS316. Fusion dpa rates are compared to those in fission, highlighting the increased contribution to damage creation in the former from high-energy threshold reactions.

  12. Ultraviolet spectra of Mg in liquid helium

    International Nuclear Information System (INIS)

    Moriwaki, Y.; Morita, N.

    1999-01-01

    Emission and absorption spectra of Mg atoms implanted in liquid helium have been observed in the ultraviolet region. We have presented a model of exciplex formation of Mg-He 10 and found that this model is more suitable for understanding the dynamics in the 3s3p 1 P→3s 21 S transition than the bubble model. (orig.)

  13. Effect of the sulphur atom on geometry and spectra of the biomolecule 2-thiouracil and in the WC base pair 2-thiouridine-adenosine. Influence of water in the first hydration shell.

    Science.gov (United States)

    Alcolea Palafox, M; Rastogi, V K; Singh, S P

    2018-04-01

    The effect of the sulphur atom on 2-thiouracil (2TU) and 2-thiouridine molecules, as compared with uracil and uridine molecules, respectively, was carried out in several environments. The predicted IR spectrum of 2TU in the isolated state was compared with that obtained for uracil molecule and with those reported experimentally in matrix isolation. Its crystal unit cell in the solid state was simulated through a tetramer form using DFT methods for the first time. The calculated Raman spectrum was compared to the experimental ones in the solid state. A linear scaling procedure was used for this task. The first hydration shell was simulated by explicit number of water molecules surrounding 2TU up to 30 and was compared with that obtained in uracil molecule. Water molecules 'distributed' around 2TU was preferred over that 'clustering', because it can better reproduce the hydration and their effects on different parameters of the molecular structure of 2TU and uracil. The total atomic charges and several calculated thermodynamic parameters were discussed. The effect of the sulphur atom on the Watson-Crick (WC) and reverse WC base pair uridine-adenosine was estimated, and the CP corrected interaction energies were calculated. 2-thiouridine has a weaker WC pair than that with uridine, although its slight higher dipole moment (μ) facilitates the interaction with the water molecules. Several helical parameters were determined.

  14. Raman spectra of filled carbon nanotubes

    International Nuclear Information System (INIS)

    Bose, S.M.; Behera, S.N.; Sarangi, S.N.; Entel, P.

    2004-01-01

    The Raman spectra of a metallic carbon nanotube filled with atoms or molecules have been investigated theoretically. It is found that there will be a three way splitting of the main Raman lines due to the interaction of the nanotube phonon with the collective excitations (plasmons) of the conduction electrons of the nanotube as well as its coupling with the phonon of the filling material. The positions and relative strengths of these Raman peaks depend on the strength of the electron-phonon interaction, phonon frequency of the filling atom and the strength of interaction of the nanotube phonon and the phonon of the filling atoms. Careful experimental studies of the Raman spectra of filled nanotubes should show these three peaks. It is also shown that in a semiconducting nanotube the Raman line will split into two and should be observed experimentally

  15. Atom optics

    International Nuclear Information System (INIS)

    Balykin, V. I.; Jhe, W.

    1999-01-01

    Atom optics, in analogy to neutron and electron optics, deals with the realization of as a traditional elements, such as lenes, mirrors, beam splitters and atom interferometers, as well as a new 'dissipative' elements such as a slower and a cooler, which have no analogy in an another types of optics. Atom optics made the development of atom interferometer with high sensitivity for measurement of acceleration and rotational possible. The practical interest in atom optics lies in the opportunities to create atom microprobe with atom-size resolution and minimum damage of investigated objects. (Cho, G. S.)

  16. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  17. Electron - atom bremsstrahlung

    International Nuclear Information System (INIS)

    Kim, L.

    1986-01-01

    Features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas are studied. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point-Coulomb potential and screened potentials are obtained using a classical numerical method. Results agree with exact quantum-mechanical partial-wave results for low incident electron energies in both the point-Coulomb and screened potentials. In the screened potential, the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. The scaling properties of bremsstrahlung spectra and energy losses were also studied. It was found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T 1 /Z 2 . This scaling is exact in the case of the point-Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. Bremsstrahlung from atoms in hot dense plasmas were also studied describing the atomic potentials by the temperature-and-density dependent Thomas-Fermi mode. Gaunt factors were obtained with the relativistic partial-wave method for atoms in plasmas of various densities and temperatures

  18. On the dynamical supersymmetry of atomic hydrogen

    International Nuclear Information System (INIS)

    Slepchenko, L.A.

    1986-01-01

    In the framework of supersymmetric quantum mechanics a dynamical symmetry of the hydrogen atom is considered. New features of spectra for the dynamical supersymmetry of two-dimensional Kepler problem are found

  19. Spectra of Graphs

    NARCIS (Netherlands)

    Brouwer, A.E.; Haemers, W.H.

    2012-01-01

    This book gives an elementary treatment of the basic material about graph spectra, both for ordinary, and Laplace and Seidel spectra. The text progresses systematically, by covering standard topics before presenting some new material on trees, strongly regular graphs, two-graphs, association

  20. Reactions of laser-ablated iron atoms and cations with carbon monoxide: Infrared spectra of FeCO+, Fe(CO)2+, Fe(CO)x, and Fe(CO)x- (x=1-4) in solid neon

    Science.gov (United States)

    Zhou, Mingfei; Andrews, Lester

    1999-06-01

    Laser-ablated iron atoms, cations, and electrons have been reacted with CO molecules during condensation in excess neon. The FeCO molecule is observed at 1933.7 cm-1 in solid neon. Based on isotopic shifts and density functional calculations, the FeCO molecule has the same 3Σ- ground state in solid neon that has been observed at 1946.5 cm-1 in a recent high resolution gas phase investigation [Tanaka et al., J. Chem. Phys. 106, 2118 (1997)]. The C-O stretching vibration of the Fe(CO)2 molecule is observed at 1917.1 cm-1 in solid neon, which is in excellent agreement with the 1928.2 cm-1 gas phase value for the linear molecule. Anions and cations are also produced and trapped, absorptions at 1782.0, 1732.9, 1794.5, and 1859.7 cm-1 are assigned to the linear FeCO-, Fe(CO)2-, trigonal planar Fe(CO)3-, and C3v Fe(CO)4- anions, respectively, and 2123.0, 2134.0 cm-1 absorptions to the linear FeCO+ and Fe(CO)2+ cations. Doping these experiments with CCl4 virtually eliminates the anion absorptions and markedly increases the cation absorptions, which confirms the charge identifications. Higher iron carbonyl Fe(CO)3, Fe(CO)4, and Fe(CO)5 absorptions are produced on photolysis.

  1. Atomic polarizabilities

    International Nuclear Information System (INIS)

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-01

    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

  2. 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)

    2015-01-22

    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.

  3. Atomic physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

    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

  4. Atomic physics

    International Nuclear Information System (INIS)

    Armbruster, P.; Beyer, H.; Bosch, F.; Dohmann, H.D.; Kozhuharov, C.; Liesen, D.; Mann, R.; Mokler, P.H.

    1984-01-01

    The heavy ion accelerator UNILAC is well suited to experiments in the field of atomic physics because, with the aid of high-energy heavy ions atoms can be produced in exotic states - that is, heavy atoms with only a few electrons. Also, in close collisions of heavy ions (atomic number Z 1 ) and heavy target atoms (Z 2 ) short-lived quasi-atomic 'superheavy' systems will be formed - huge 'atoms', where the inner electrons are bound in the field of the combined charge Z 1 + Z 2 , which exceeds by far the charge of the known elements (Z <= 109). Those exotic or transient superheavy atoms delivered from the heavy ion accelerator make it possible to study for the first time in a terrestrial laboratory exotic, but fundamental, processes, which occur only inside stars. Some of the basic research carried out with the UNILAC is discussed. This includes investigation of highly charged heavy atoms with the beam-foil method, the spectroscopy of highly charged slow-recoil ions, atomic collision studies with highly ionised, decelerated ions and investigations of super-heavy quasi-atoms. (U.K.)

  5. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

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

    2005-01-01

    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...

  6. Measurement and interpretation of plutonium spectra

    International Nuclear Information System (INIS)

    Blaise, J.; Fred, M.S.; Carnall, W.T.; Crosswhite, H.M.; Crosswhite, H.

    1982-01-01

    The atomic spectroscopic data available for plutonium are among the rickest of any in the periodic system. They include high-resolution grating and Fourier-transform spectra as well as extensive Zeeman and isotope-shift studies. We summarize the present status of the term analysis and cite the configurations that have been identified. A least-squares adjustment of a parametric Hamiltonian for configurations of both Pu I and Pu II has shown that almost all of the expected low levels are now known. The use of a model Hamiltonian applicable to both lanthanide and actinide atomic species has been applied to the low configurations of Pu I and Pu II making use of trends predicted by ab initio calculations. This same model has been used to describe the energy levels of Pu 3+ in LaCl 3 , and an extension has permitted preliminary calculations of the spectra of other valence states

  7. Absorption spectra of AA-stacked graphite

    International Nuclear Information System (INIS)

    Chiu, C W; Lee, S H; Chen, S C; Lin, M F; Shyu, F L

    2010-01-01

    AA-stacked graphite shows strong anisotropy in geometric structures and velocity matrix elements. However, the absorption spectra are isotropic for the polarization vector on the graphene plane. The spectra exhibit one prominent plateau at middle energy and one shoulder structure at lower energy. These structures directly reflect the unique geometric and band structures and provide sufficient information for experimental fitting of the intralayer and interlayer atomic interactions. On the other hand, monolayer graphene shows a sharp absorption peak but no shoulder structure; AA-stacked bilayer graphene has two absorption peaks at middle energy and abruptly vanishes at lower energy. Furthermore, the isotropic features are expected to exist in other graphene-related systems. The calculated results and the predicted atomic interactions could be verified by optical measurements.

  8. Mesonic atoms. Technical progress report

    International Nuclear Information System (INIS)

    Kunselman, R.

    1981-01-01

    Research on mesic atoms during 1981 is reported. This includes measurement of x-rays from pionic hydrogen and pionic deuterium; muonic K, L, and M x-ray spectra of mercury 199 and mercury 201; and pionic chromium 54, scandium 45, vanadium 51, manganese 55, and iron

  9. Ubiquitous atom

    International Nuclear Information System (INIS)

    Spruch, G.M.; Spruch, L.

    1974-01-01

    The fundamentals of modern physics, including the basic physics and chemistry of the atom, elementary particles, cosmology, periodicity, and recent advances, are surveyed. The biology and chemistry of the life process is discussed to provide a background for considering the effects of atomic particles on living things. The uses of atomic power in space travel, merchant shipping, food preservation, desalination, and nuclear clocks are explored. (Pollut. Abstr.)

  10. Atomic spectroscopy and radiative processes

    CERN Document Server

    Landi Degl'Innocenti, Egidio

    2014-01-01

    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.

  11. Electromagnetic transitions in the atom

    International Nuclear Information System (INIS)

    Ulehla, I.; Suk, M.; Trka, Z.

    1990-01-01

    Methods to achieve excitation of atoms are outlined and conditions necessary for the occurrence of electromagnetic transitions in the atomic shell are given. Radiative transitions between the energy states of the atom include stimulated absorption, spontaneous emission, and stimulated emission. Selection rules applying to the majority of observed transitions are given. The parity concept is explained. It is shown how the electromagnetic field and its interaction with the magnetic moment of the atom lead to a disturbance of the energy states of the atom and the occurrence of various electro-optical and magneto-optical phenomena. The Stark effect and electron spin resonance are described. X-rays and X-ray spectra, the Auger effect and the internal photoeffect are also dealt with. The principle of the laser is explained. (M.D.). 22 figs., 1 tab

  12. Atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 2 3 Po, 2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 2 3 Po level of helium-like krypton

  13. Chaotic spectra: How to extract dynamic information

    International Nuclear Information System (INIS)

    Taylor, H.S.; Gomez Llorente, J.M.; Zakrzewski, J.; Kulander, K.C.

    1988-10-01

    Nonlinear dynamics is applied to chaotic unassignable atomic and molecular spectra with the aim of extracting detailed information about regular dynamic motions that exist over short intervals of time. It is shown how this motion can be extracted from high resolution spectra by doing low resolution studies or by Fourier transforming limited regions of the spectrum. These motions mimic those of periodic orbits (PO) and are inserts into the dominant chaotic motion. Considering these inserts and the PO as a dynamically decoupled region of space, resonant scattering theory and stabilization methods enable us to compute ladders of resonant states which interact with the chaotic quasi-continuum computed in principle from basis sets placed off the PO. The interaction of the resonances with the quasicontinuum explains the low resolution spectra seen in such experiments. It also allows one to associate low resolution features with a particular PO. The motion on the PO thereby supplies the molecular movements whose quantization causes the low resolution spectra. Characteristic properties of the periodic orbit based resonances are discussed. The method is illustrated on the photoabsorption spectrum of the hydrogen atom in a strong magnetic field and on the photodissociation spectrum of H 3 + . Other molecular systems which are currently under investigation using this formalism are also mentioned. 53 refs., 10 figs., 2 tabs

  14. Spectroscopy of two-electron atoms

    International Nuclear Information System (INIS)

    Desesquelles, J.

    1988-01-01

    Spectroscopy of heliumlike ions is discussed putting emphasis on mid and high Z atoms. Experimental aspects of ion charge, excitation production, clean spectra, and precise wavelength measurement are detailed. Recent results obtained at several laboratories including Lyon, Argonne, Notre-Dame, Oxford, Berkeley, Darmstadt, Paris, are used to test the QED contributions and higher order relativistic corrections to two-electron atom energies. (orig.)

  15. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

    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.

  16. Early Atomism

    Indian Academy of Sciences (India)

    https://www.ias.ac.in/article/fulltext/reso/015/10/0905-0925. 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, ...

  17. Exotic atoms

    International Nuclear Information System (INIS)

    Horvath, D.; Lambrecht, R.M.

    1984-01-01

    This bibliography on exotic atoms covers the years 1939 till 1982. The annual entries are headed by an introduction describing the state of affairs of the branch of science and listing the main applications in quantum electrodynamics, particle physics, nuclear physics, atomic physics, chemical physics and biological sciences. The bibliography includes an author index and a subject index. (Auth.)

  18. Solar Energetic Particle Spectra

    Science.gov (United States)

    Ryan, J. M.; Boezio, M.; Bravar, U.; Bruno, A.; Christian, E. R.; de Nolfo, G. A.; Martucci, M.; Mergè, M.; Munini, R.; Ricci, M.; Sparvoli, R.; Stochaj, S.

    2017-12-01

    We report updated event-integrated spectra from several SEP events measured with PAMELA. The measurements were made from 2006 to 2014 in the energy range starting at 80 MeV and extending well above the neutron monitor threshold. The PAMELA instrument is in a high inclination, low Earth orbit and has access to SEPs when at high latitudes. Spectra have been assembled from these high-latitude measurements. The field of view of PAMELA is small and during the high-latitude passes it scans a wide range of asymptotic directions as the spacecraft orbits. Correcting for data gaps, solid angle effects and improved background corrections, we have compiled event-integrated intensity spectra for twenty-eight SEP events. Where statistics permit, the spectra exhibit power law shapes in energy with a high-energy exponential roll over. The events analyzed include two genuine ground level enhancements (GLE). In those cases the roll-over energy lies above the neutron monitor threshold ( 1 GV) while the others are lower. We see no qualitative difference between the spectra of GLE vs. non-GLE events, i.e., all roll over in an exponential fashion with rapidly decreasing intensity at high energies.

  19. Atomic fusion, Gerrard atomic fusion

    International Nuclear Information System (INIS)

    Gerrard, T.H.

    1980-01-01

    In the approach to atomic fusion described here the heat produced in a fusion reaction, which is induced in a chamber by the interaction of laser beams and U.H.F. electromagnetic beams with atom streams, is transferred to a heat exchanger for electricity generation by a coolant flowing through a jacket surrounding the chamber. (U.K.)

  20. Superradiators created atom by atom

    Science.gov (United States)

    Meschede, Dieter

    2018-02-01

    High radiation rates are usually associated with macroscopic lasers. Laser radiation is “coherent”—its amplitude and phase are well-defined—but its generation requires energy inputs to overcome loss. Excited atoms spontaneously emit in a random and incoherent fashion, and for N such atoms, the emission rate simply increases as N. However, if these atoms are in close proximity and coherently coupled by a radiation field, this microscopic ensemble acts as a single emitter whose emission rate increases as N2 and becomes “superradiant,” to use Dicke's terminology (1). On page 662 of this issue, Kim et al. (2) show the buildup of coherent light fields through collective emission from atomic radiators injected one by one into a resonator field. There is only one atom ever in the cavity, but the emission is still collective and superradiant. These results suggest another route toward thresholdless lasing.

  1. Configuration interaction in charge exchange spectra of tin and xenon

    Science.gov (United States)

    D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

    2011-06-01

    Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

  2. Infrared spectra of jennite and tobermorite from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Vidmer, Alexandre, E-mail: alexandre@vidmer.com; Sclauzero, Gabriele; Pasquarello, Alfredo

    2014-06-01

    The infrared absorption spectra of jennite, tobermorite 14 Å, anomalous tobermorite 11 Å, and normal tobermorite 11 Å are simulated within a density-functional-theory scheme. The atomic coordinates and the cell parameters are optimized resulting in structures which agree with previous studies. The vibrational frequencies and modes are obtained for each mineral. The vibrational density of states is analyzed through extensive projections on silicon tetrahedra, oxygen atoms, OH groups, and water molecules. The coupling with the electric field is achieved through the use of density functional perturbation theory, which yields Born effective charges and dielectric constants. The simulated absorption spectra reproduce well the experimental spectra, thereby allowing for a detailed interpretation of the spectral features in terms of the underlying vibrational modes. In the far-infrared part of the absorption spectra, the interplay between Ca and Si related vibrations leads to differences which are sensitive to the calcium/silicon ratio of the mineral.

  3. Parameterization of rotational spectra

    International Nuclear Information System (INIS)

    Zhou Chunmei; Liu Tong

    1992-01-01

    The rotational spectra of the strongly deformed nuclei with low rotational frequencies and weak band mixture are analyzed. The strongly deformed nuclei are commonly encountered in the rare-earth region (e. g., 150 220). A lot of rotational band knowledge are presented

  4. Numerical analysis of alpha spectra using two different codes

    International Nuclear Information System (INIS)

    Hurtado, S.; Jimenez-Ramos, M.C.; Villa, M.; Vioque, I.; Manjon, G.; Garcia-Tenorio, R.

    2008-01-01

    This work presents an intercomparison between commercial software for alpha-particle spectrometry, Genie 2000, and the new free available software, Winalpha, developed by International Atomic Energy Agency (IAEA). In order to compare both codes, different environmental spectra containing plutonium, uranium, thorium and polonium have been analyzed, together with IAEA test alpha spectra. A statistical study was performed in order to evaluate the precision and accuracy in the analyses, and to enhance the confidence in using the software on alpha spectrometric studies

  5. Atomic interferometry

    International Nuclear Information System (INIS)

    Baudon, J.; Robert, J.

    2004-01-01

    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 λ = h/(mv), where λ 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.)

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

    International Nuclear Information System (INIS)

    Reader, J.

    2013-01-01

    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

  7. Heisenberg lecture: Supersymmetry in the spectra of atomic nuclei

    International Nuclear Information System (INIS)

    Graw, Gerhard

    2003-01-01

    Talk given at the Symposium: 'Werner Heisenberg und die Wissenschaft, das Denken und die Kunst', Alexander von Humboldt Club, Bucharest, October 16 - 17, 2001, Goethe-Institut, Bucharest, Romania. This Symposium of the Humboldt Club in Bucharest was dedicated to the work of Werner Heisenberg. With the occasion of the hundredth anniversary of his birthday the aim was to recall the impact of Heisenberg's work not only on physics and related fields but also on philosophy and on our present understanding of science. Werner Heisenberg discovered and formulated the laws of quantum physics, the concepts and the tools one uses at present. These discoveries resulted from his ambitious goal to reveal the fundamental laws of physics and to understand these laws within the logical and structural aspects they imply for the understanding of nature and of thinking. In this way he was aware of the potential of this fundamental new approach and applied the concept of quantum phenomena to physics, chemistry, biology, and to logical-philosophical questions. Being invited here as first speaker of this Symposium the author considered as appropriate, first to recall a few dates out of his vita and essentials of his work, and then to address to a timely subject, which is, hopefully, related to the work of Werner Heisenberg. (author)

  8. Spectroscopic modeling for tungsten EUV spectra

    International Nuclear Information System (INIS)

    Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Suzuki, Chihiro; Morita, Shigeru; Goto, Motoshi; Sasaki, Akira; Nakamura, Nobuyuki; Yamamoto, Norimasa; Koike, Fumihiro

    2014-01-01

    We have constructed an atomic model for tungsten extreme ultraviolet (EUV) spectra to reconstruct characteristic spectral feature of unresolved transition array (UTA) observed at 4-7 nm for tungsten ions. In the tungsten atomic modeling, we considered fine-structure levels with the quantum principal number n up to 6 as the atomic structure and calculated the electron-impact collision cross sections by relativistic distorted-wave method, using HULLAC atomic code. We measured tungsten EUV spectra in Large Helical Device (LHD) and Compact Electron Beam Ion Trap device (CoBIT) and compared them with the model calculation. The model successfully explain series of emission peaks at 1.5-3.5 nm as n=5-4 and 6-4 transitions of W"2"4"+ - W"3"2"+ measured in CoBIT and LHD and the charge state distributions were estimated for LHD plasma. The UTA feature observed at 4-7 nm was also successfully reconstructed with our model. The peak at ∼5 nm is produced mainly by many 4f-4d transition of W"2"2"+ - W"3"5"+ ions, and the second peak at ∼6 nm is produced by 4f-4d transition of W"2"5"+ - W"2"8"+ ions, and 4d-4p inner-shell transitions, 4p"54d"n"+"1 - 4p"64d"n, of W"2"9"+ - W"3"5"+ ions. These 4d-4p inner-shell transitions become strong since we included higher excited states such as 4p"54d"n4f state, which ADAS atomic data set does not include for spectroscopic modeling with fine structure levels. (author)

  9. Emission spectra of alkali-metal (K,Na,Li)-He exciplexes in cold helium gas

    International Nuclear Information System (INIS)

    Enomoto, K.; Hirano, K.; Kumakura, M.; Takahashi, Y.; Yabuzaki, T.

    2004-01-01

    We have observed emission spectra of excimers and exciplexes composed of a light alkali-metal atom in the first excited state and 4 He atoms [K*He n (n=1-6), Na * He n (n=1-4), and Li * He n (n=1,2)] in cryogenic He gas (the temperature 2 K -1 . Differently from exciplexes with heavier alkali-metal atoms, the spectra for the different number of He atoms were well separated, so that their assignment could be made experimentally. Comparing with the spectra of K * He n , we found that the infrared emission spectrum of the K atom excited in liquid He was from K*He 6 . To confirm the assignment, we have also carried out ab initio calculation of adiabatic potential curves and peak positions of the emission spectra of the exciplexes

  10. Atomic politics

    International Nuclear Information System (INIS)

    Skogmar, G.

    1979-01-01

    The authors basic point is that the military and civil sides of atomic energy cannot be separated. The general aim of the book is to analyze both the military and civil branches, and the interdependence between them, of American foreign policy in the atomic field. Atomic policy is seen as one of the most important imstruments of foreign policy which, in turn, is seen against the background of American imperialism in general. Firstly, the book investigates the most important means by which the United States has controlled the development in the nuclear field in other countries. These means include influencing the conditions of access to nuclear resources of various kinds, influencing the flow of technical-economic information and influencing international organizations and treaties bearing on atomic energy. The time period treated is 1945-1973. 1973 is chosen as the end-year of the study mainly because of the new conditions in the whole energy field initiated by the oil crisis in that year. The sources of the empirical work are mainly hearings before the Joint Committee on Atomic Energy of the U.S. Congress and legal material of various kinds. Secondly, the goals of the American policy are analyzed. The goals identified are armament effect, non-proliferation (horizontal), sales, and energy dependence. The relation between the main goals is discussed.The discussion is centered on the interdependence between the military and the civil aspects, conflict and coincidence of various goals, the relation between short-term and long-term goals, and the possibilities of using one goal as pretext for another. Thirdly, some causes of the changes in the atomic policy around 1953 and 1963 are identified. These are the strategic balance, the competitive situation, the capacity (of the American atomic productive apparatus), and the nuclear technological stage. The specific composition of these four factors at the two time-points can explain the changes of policy. (author)

  11. X-ray absorption spectra and emission spectra of plasmas

    International Nuclear Information System (INIS)

    Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

    2002-01-01

    The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

  12. Atomic secrecy

    International Nuclear Information System (INIS)

    Sweet, W.

    1979-01-01

    An article, The H-Bomb Secret: How We Got It, Why We're Telling It, by Howard Morland was to be published in The Progressive magazine in February, 1979. The government, after learning of the author's and the editors' intention to publish the article and failing to persuade them to voluntarily delete about 20% of the text and all of the diagrams showing how an H-bomb works, requested a court injunction against publication. Acting under the Atomic Energy Act of 1954, US District Court Judge Robert W. Warren granted the government's request on March 26. Events dealing with the case are discussed in this publication. Section 1, Progressive Hydrogen Bomb Case, is discussed under the following: Court Order Blocking Magazine Report; Origins of the Howard Morland Article; Author's Motives, Defense of Publication; and Government Arguments Against Disclosure. Section 2, Access to Atomic Data Since 1939, contains information on need for secrecy during World War II; 1946 Atomic Energy Act and its effects; Soviet A-Bomb and the US H-Bomb; and consequences of 1954 Atomic Energy Act. Section 3, Disputed Need for Atomic Secrecy, contains papers entitled: Lack of Studies on H-Bomb Proliferation; Administration's Position on H-Bombs; and National Security Needs vs Free Press

  13. Lattice vibration spectra. 16

    International Nuclear Information System (INIS)

    Lutz, H.D.; Willich, P.

    1977-01-01

    The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

  14. Deconvoluting double Doppler spectra

    International Nuclear Information System (INIS)

    Ho, K.F.; Beling, C.D.; Fung, S.; Chan, K.L.; Tang, H.W.

    2001-01-01

    The successful deconvolution of data from double Doppler broadening of annihilation radiation (D-DBAR) spectroscopy is a promising area of endeavour aimed at producing momentum distributions of a quality comparable to those of the angular correlation technique. The deconvolution procedure we test in the present study is the constrained generalized least square method. Trials with computer simulated DDBAR spectra are generated and deconvoluted in order to find the best form of regularizer and the regularization parameter. For these trials the Neumann (reflective) boundary condition is used to give a single matrix operation in Fourier space. Experimental D-DBAR spectra are also subject to the same type of deconvolution after having carried out a background subtraction and using a symmetrize resolution function obtained from an 85 Sr source with wide coincidence windows. (orig.)

  15. Spectra, Winter 2014

    Science.gov (United States)

    2014-01-01

    additional copies or more information, please email spectra@nrl.navy.mil. LEADINGEDGE 1 Contents 30 Navy Launches UAV from Submerged Submarine 31... multitasking have become mainstream concerns. For example, the New York Times in 2005 and Time magazine in 2006 both reported stories about...interruptions and multitasking , and how they affect performance by increasing human er- ror. In 2005, the information technol- ogy research firm Basex

  16. Thermoluminescence spectra of amethyst

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Q. [Suzhou Railway Teachers College (China). Dept. of Physics; Yang, B. [Beijing Normal University (China). Dept. of Physics; Wood, R.A.; White, D.R.R.; Townsend, P.D.; Luff, B.J. [Sussex Univ., Brighton (United Kingdom). School of Mathematical and Physical Sciences

    1994-04-01

    Thermoluminescence and cathodoluminescence data from natural and synthetic amethyst and synthetic quartz samples are compared. The spectra include features from the quartz host lattice and from impurity-generated recombination sites. Emission features exist throughout the wavelength range studied, 250-800 nm. The near infrared emission at 740-750 nm appears to be characteristic of the amethyst and is proposed to be due to Fe ion impurity. (Author).

  17. Pattern recognition in spectra

    International Nuclear Information System (INIS)

    Gebran, M; Paletou, F

    2017-01-01

    We present a new automated procedure that simultaneously derives the effective temperature T eff , surface gravity log g , metallicity [ Fe/H ], and equatorial projected rotational velocity v e 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. (paper)

  18. Benchmarking statistical averaging of spectra with HULLAC

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2008-11-01

    Knowledge of radiative properties of hot plasmas is important for ICF, astrophysics, etc When mid-Z or high-Z elements are present, the spectra are so complex that one commonly uses statistically averaged description of atomic systems [1]. In a recent experiment on Fe[2], performed under controlled conditions, high resolution transmission spectra were obtained. The new version of HULLAC [3] allows the use of the same model with different levels of details/averaging. We will take advantage of this feature to check the effect of averaging with comparison with experiment. [1] A Bar-Shalom, J Oreg, and M Klapisch, J. Quant. Spectros. Rad. Transf. 65, 43 (2000). [2] J. E. Bailey, G. A. Rochau, C. A. Iglesias et al., Phys. Rev. Lett. 99, 265002-4 (2007). [3]. M. Klapisch, M. Busquet, and A. Bar-Shalom, AIP Conference Proceedings 926, 206-15 (2007).

  19. Antimatter atoms

    International Nuclear Information System (INIS)

    Anon.

    1996-01-01

    In january 1996, CERN broadcasted the information of the creation of nine anti-hydrogen atoms, observed through disintegration products. The experimental facility was CERN LEAR ring. An antiproton beam scattered a xenon jet, and the resulting antimatter was first selected by its insensitivity to beam bending magnets. Their disintegration was detected in thin NaI detectors, in which the anti-atoms are at once deprived from their positron. Then, magnetic and time-of-flight spectrometers are used. (D.L.)

  20. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    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

  1. A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

    DEFF Research Database (Denmark)

    Bohr, Henrik; Jalkanen, Karl J.; Elstner, M.

    1999-01-01

    dichroism (VCD) spectra of NALANMA. We have utilised MP2/6-31G*, B3LYP/6-31G*, RHF/6-31G* and SCC-DFTB level theory to determine the geometries and Hessians, atomic polar tensors (APT) and atomic axial tensors (AAT) which are required for simulating the VA and VCD spectra. We have also calculated the AAT...

  2. Vibration dynamics of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Khater, A; Bourahla, B; Tigrine, R

    2007-01-01

    The motivation for this work is to introduce a model for an atomic nanocontact, whereby its mechanical properties can be analysed via the local spectra. The model system consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. We calculate the vibration spectra and the local densities of vibration states, in the harmonic approximation, for the irreducible set of sites that constitute the nanocontact domain. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the domain. We have also calculated the phonon scattering and coherent conductance at the nanocontact, derived in a Landauer-Buettiker matrix approach. The analysis of the spectra, of the densities of vibration states, and of the phonon conductance, identifies characteristic features and demonstrates the central role of a core subset of sites in the nanocontact domain

  3. Atoms stories

    International Nuclear Information System (INIS)

    Radvanyi, P.; Bordry, M.

    1988-01-01

    Physicists from different countries told each evening during one learning week, to an audience of young people, some great discoveries in evoking the difficulties and problems to which the researchers were confronted. From Antiquity to a more recent history, it is a succession of atoms stories. (N.C.)

  4. Atomic physics

    International Nuclear Information System (INIS)

    Held, B.

    1991-01-01

    This general book describes the change from classical physics to quantum physics. The first part presents atom evolution since antiquity and introduces fundamental quantities and elements of relativity. Experiments which have contributed to the evolution of knowledge on matter are analyzed in the second part. Applications of wave mechanics to the study of matter properties are presented in the third part [fr

  5. Increased Elemental Specificity of Positron Annihilation Spectra

    International Nuclear Information System (INIS)

    Asoka-Kumar, P.; Alatalo, M.; Ghosh, V.J.; Kruseman, A.C.; Nielsen, B.; Lynn, K.G.

    1996-01-01

    Positron annihilation spectroscopy (PAS) is a sensitive probe for studying the electronic structure of defects in solids. We show that the high-momentum part of the Doppler-broadened annihilation spectra can be used to distinguish different elements. This is achieved by using a new two-detector coincidence system to examine the line shape variations originating from high-momentum core electrons. Because the core electrons retain their atomic character even when atoms form a solid, these results can be directly compared to simple theoretical predictions. The new approach adds increased elemental specificity to the PAS technique, and is useful in studying the elemental variations around a defect site. copyright 1996 The American Physical Society

  6. Deconvolution of Positrons' Lifetime spectra

    International Nuclear Information System (INIS)

    Calderin Hidalgo, L.; Ortega Villafuerte, Y.

    1996-01-01

    In this paper, we explain the iterative method previously develop for the deconvolution of Doppler broadening spectra using the mathematical optimization theory. Also, we start the adaptation and application of this method to the deconvolution of positrons' lifetime annihilation spectra

  7. Vibrational spectra of aminoacetonitrile

    International Nuclear Information System (INIS)

    Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

    1975-01-01

    The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

  8. International Bulletin on Atomic and Molecular Data for Fusion. No. 28

    International Nuclear Information System (INIS)

    Hughes, J.G.

    1985-03-01

    The bulletin presents a selected bibliography (462 literature pieces) on atomic and molecular data relevant to fusion research and technology. It also gives a list of indexed papers, separately on structure and spectra, atomic and molecular collisions, and surface effects

  9. International Bulletin on Atomic and Molecular Data for Fusion. No. 31

    International Nuclear Information System (INIS)

    Hughes, J.G.

    1985-12-01

    This bulletin presents a selected bibliography (363 literature pieces) on atomic and molecular data for fusion. It also gives a list of indexed papers on structure and spectra, atomic and molecular collisions, and surface interactions

  10. CO 2 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 ...

  11. Program DEIMOS32 for gamma-ray spectra evalution

    Czech Academy of Sciences Publication Activity Database

    Frána, Jaroslav

    2003-01-01

    Roč. 257, č. 3 (2003), s. 583-587 ISSN 0236-5731. [International Conference Ko-users Workshop /3./. Bruges, 23.09.2001-28.09.2001] Institutional research plan: CEZ:AV0Z1048901 Keywords : gamma-ray spectra * software Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.472, year: 2003

  12. Calculation of gamma spectra for positron annihilation on molecules

    Energy Technology Data Exchange (ETDEWEB)

    Green, Dermot G; Gribakin, G F [Centre for Theoretical Atomic, Molecular and Optical Physics, Queen' s University Belfast, BT7 1NN (United Kingdom); Wang, F [Centre for Molecular Simulation, Sinburne University of Technology, Melbourne, Victoria 3122 (Australia); Surko, C M, E-mail: dgreen09@qub.ac.u [Physics Department, University of California, San Diego, La Jolla, California 92093-0319 (United States)

    2009-11-01

    Gamma spectra for positron annihilation on molecules are calculated based on molecular electron momentum densities and using an atomic adjustment factor that accounts for the positron. Results for H{sub 2} agree well with experiment. Analysis of methane and larger alkanes and their substitutes is underway.

  13. Atomic and molecular data for radiotherapy

    International Nuclear Information System (INIS)

    1989-05-01

    An Advisory Group Meeting devoted solely to review the atomic and molecular data needed for radiotherapy was held in Vienna from 13 to 16 June 1988. The following items as related to the atoms and molecules of human tissues were reviewed: Cross sections differential in energy loss for electrons and other charged particles. Secondary electron spectra, or differential ionization cross sections. Total cross sections for ionization and excitation. Subexcitation electrons. Cross sections for charged-particle collisions in condensed matter. Stopping power for low-energy electrons and ions. Initial yields of atomic and molecular ions and their excited states and electron degradation spectra. Rapid conversion of these initial ions and their excited states through thermal collisions with other atoms and molecules. Track-structure quantities. Other relevant data. Refs, figs and tabs

  14. Analog measurement of delayed antiproton annihilation time spectra in a high intensity pulsed antiproton beam

    International Nuclear Information System (INIS)

    Niestroj, A.; Hayano, R.S.; Ishikawa, T.; Tamura, H.; Torii, H.A.; Morita, N.; Yamazaki, T.; Sugai, I.; Nakayoshi, K.; Horvath, D.; Eades, J.; Widmann, E.

    1996-01-01

    An analog detection system has been developed to measure delayed antiproton annihilation time spectra for laser resonance spectroscopy of metastable antiprotonic helium atoms using the high-intensity pulsed beam of antiprotons from LEAR at CERN. (orig.)

  15. Catalogue of neutron spectra

    International Nuclear Information System (INIS)

    Buxerolle, M.; Massoutie, M.; Kurdjian, J.

    1987-09-01

    Neutron dosimetry problems have arisen as a result of developments in the applications of nuclear energy. The largest number of possible irradiation situations has been collected: they are presented in the form of a compilation of 44 neutron spectra. Diagrams show the variations of energy fluence and energy fluence weighted by the dose equivalent/fluence conversion factor, with the logarithm of the corresponding energy. The equivalent dose distributions are presented as percentages for the following energy bins: 0.01 eV/0.5 eV/50 keV/1 MeV/5 MeV/15 MeV. The dose equivalent, the mean energy and the effective energy for the dose equivalent for 1 neutron cm -2 are also given [fr

  16. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  17. Exotic atoms

    International Nuclear Information System (INIS)

    Kunselman, R.

    1993-01-01

    The experiments use a solid hydrogen layer to form muonic hydrogen isotopes that escape into vacuum. The method relies on transfer of the muon from protium to either a deuteron or a triton. The resulting muonic deuterium or muonic tritium will not immediately thermalize because of the very low elastic cross sections, and may be emitted from the surface of the layer. Measurements which detect decay electrons, muonic x-rays, and fusion products have been used to study the processes. A target has been constructed which exploits muonic atom emission in order to learn more about the energy dependence of transfer and muon molecular formation

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

    NARCIS (Netherlands)

    Kvashnina, Kristina O.; De Groot, Frank M F

    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

  19. Case studies in atomic collision physics

    CERN Document Server

    McDaniel, E W

    1974-01-01

    Case Studies in Atomic Physics III focuses on case studies on atomic and molecular physics, including atomic collisions, transport properties of electrons, ions, molecules, and photons, interaction potentials, spectroscopy, and surface phenomena. The selection first discusses detailed balancing in the time-dependent impact parameter method, as well as time-reversal in the impact parameter method and coupled state approximation. The text also examines the mechanisms of electron production in ion. Topics include measurement of doubly differential cross sections and electron spectra, direct Coul

  20. Plasmas applied atomic collision physics, v.2

    CERN Document Server

    Barnett, C F

    1984-01-01

    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

  1. Effect of atomic initial phase difference on spontaneous emission of an atom embedded in photonic crystal

    International Nuclear Information System (INIS)

    Bing, Zhang; Xiu-Dong, Sun; Xiang-Qian, Jiang

    2010-01-01

    We investigate the effect of initial phase difference between the two excited states of a V-type three-level atom on its steady state behaviour of spontaneous emission. A modified density of modes is introduced to calculate the spontaneous emission spectra in photonic crystal. Spectra in free space are also shown to compare with that in photonic crystal with different relative positions of the excited levels from upper band-edge frequency. It is found that the initial phase difference plays an important role in the quantum interference property between the two decay channels. For a zero initial phase, destructive property is presented in the spectra. With the increase of initial phase difference, quantum interference between the two decay channels from upper levels to ground level turns to be constructive. Furthermore, we give an interpretation for the property of these spectra. (atomic and molecular physics)

  2. Design energy spectra for Turkey

    OpenAIRE

    López Almansa, Francisco; Yazgan, Ahmet Utku; Benavent Climent, Amadeo

    2012-01-01

    This work proposes design energy spectra in terms of velocity, derived through linear dynamic analyses on Turkish registers and intended for regions with design peak acceleration 0.3 g or higher. In the long and mid period ranges the analyses are linear, taking profit of the rather insensitivity of the spectra to the structural parameters other than the fundamental period; in the short period range, the spectra are more sensitive to the structural parameters and nonlinear analyses would be re...

  3. He-like spectra from laboratory plasmas and solar flares

    International Nuclear Information System (INIS)

    Kato, Takako

    1990-01-01

    The X-ray spectra of He-like ions from tokamaks and solar flares have been measured. Several physical parameters of plasma can be derived from the X-ray spectra of He-like ions. The ion temperature can be derived from the doppler width of a resonance line. The electron temperature is obtained from the intensity ratio of dielectronic satellite lines to a resonance line. The energy level for the prominent lines is shown. The line q is produced mainly by the inner-shell excitation of Li-like ions, and line beta is produced by the inner-shell excitation of Be-like ions. The intensity ratios give the ion density ratios. The intensities of the intercombination and the forbidden lines are affected by the recombination from H-like ions. The synthetic spectra including excitation, ionization and recombination processes are fitted to the measurement. In this paper, the He-like X-ray spectra of the titanium ions from TFTR tokamak plasma and of the iron ions from solar flares are discussed, paying attention to the presence of high energy electrons which affect the spectra and ionization balance. Atomic data, the spectra from the TFTR tokamak, the spectra from solar flares and so on are described. (K.I.)

  4. Spectra of chemical trees

    International Nuclear Information System (INIS)

    Balasubramanian, K.

    1982-01-01

    A method is developed for obtaining the spectra of trees of NMR and chemical interests. The characteristic polynomials of branched trees can be obtained in terms of the characteristic polynomials of unbranched trees and branches by pruning the tree at the joints. The unbranched trees can also be broken down further until a tree containing just two vertices is obtained. The effectively reduces the order of the secular determinant of the tree used at the beginning to determinants of orders atmost equal to the number of vertices in the branch containing the largest number of vertices. An illustrative example of a NMR graph is given for which the 22 x 22 secular determinant is reduced to determinants of orders atmost 4 x 4 in just the second step of the algorithm. The tree pruning algorithm can be applied even to trees with no symmetry elements and such a factoring can be achieved. Methods developed here can be elegantly used to find if two trees are cospectral and to construct cospectral trees

  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)

    2016-03-02

    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. Sequencing BPS spectra

    International Nuclear Information System (INIS)

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-01-01

    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.

  7. INTRIGOSS: A new Library of High Resolution Synthetic Spectra

    Science.gov (United States)

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

    2018-01-01

    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.

  8. Photoelectron spectra and electronic structure of some spiroborate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

    2014-12-15

    Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

  9. Cold atomic gas in the inner Galaxy

    International Nuclear Information System (INIS)

    Garwood, R.W.; Dickey, J.M.

    1989-01-01

    A new set of 21 cm H I absorption spectra were obtained toward 21 compact continuum sources in the Galactic plane is presented. The 21 cm line velocity-averaged absorption coefficient as a function of Galactocentric distance is calculated. The result for distances within 2 kpc of the sun agrees with the local value found from absorption toward pulsars of 5-7 km/s/kpc. Overall, the absorption coefficient decreases to about half of its local value inside a Galactocentric radius of about 4 kpc. This decrease is shown to be primarily due to an increase in the mean line-of-sight distance between absorbing atomic clouds. Thus, the cool phase of the atomic gas is less abundant in the inner Galaxy than at the solar circle. The absorption spectra are similar in appearance to existing (C-12)O spectra. The spectral regions which show H I absorption also show CO emission. 43 references

  10. High-magnetic field atomic physics

    International Nuclear Information System (INIS)

    Gay, J.C.

    1984-01-01

    This chapter discusses both the traditional developments of Zeeman techniques at strong fields and the fundamental concepts of diamagnetism. Topics considered include historical aspects, the production of high fields, the atom in a magnetic field (Hamiltonian and symmetries, the various magnetic regimes in atomic spectra), applications of the Zeeman effect at strong B fields, the Landau regime for loosely bound particles, theoretical concepts of atomic diamagnetism, and the ultra-high-field regime and quantum electrodynamics. It is concluded that the wide implications of the problem of the strongly magnetized hydrogen atom in various domains of physics and its conceptual importance concerning theoretical methods of classical and quantum mechanics justify the experimental and theoretical efforts in atomic physics

  11. The rates of elementary atomic processes and laser spectroscopy

    International Nuclear Information System (INIS)

    Rudzikas, Z.; Sereapinas, P.; Kaulakys, B.

    1989-01-01

    Laser spectroscopy and physics of the atom are closely interrelated. Spectra are the fundamental characteristics of atoms. Modern atomic spectroscopy deals with the structure and properties of any atom of the periodic table as well as of ions of any ionization degree. Therefore, one has to develop fairly universal and, at the same time, exact methods. In this paper briefly analyze the contemporary status of the theory of many-electron atoms and ions, the peculiarities of their structure and spectra, as well as of the processes of their interaction with radiation, interatomic interaction and of the plasma spectroscopy. The attention mainly is paid to the spectroscopy of multiply charged ions and to the processes with highly excited atoms

  12. Examples how to use atomic and molecular databases

    International Nuclear Information System (INIS)

    Murakami, Izumi

    2012-01-01

    As examples how to use atomic and molecular databases, atomic spectra database (ASD) and molecular chemical kinetics database of National Institute of Standards and Technology (NIST), collision cross sections of National Institute of Fusion Science (NIFS), Open-Atomic Data and Analysis Structure (ADAS) and chemical reaction rate coefficients of GRI-Mech were presented. Sorting method differed in each database and several options were prepared. Atomic wavelengths/transition probabilities and electron collision ionization, excitation and recombination cross sections/rate coefficients were simply searched with just specifying atom or ion using a general internet search engine (GENIE) of IAEA. (T. Tanaka)

  13. International bulletin on atomic and molecular data for fusion

    International Nuclear Information System (INIS)

    Stephens, J.A.; Bannister, M.E.; Fuhr, J.

    1999-12-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  14. Molecular absorption spectra of beryllium, cerium, lanthanum, iron, and platinum salts

    International Nuclear Information System (INIS)

    Daidoji, Hidehiro

    1980-01-01

    The absorption spectra of some salts of beryllium, cerium, lanthanum, iron and platinum in air-acetylene flame were measured in the wavelength range from 200 to 400 nm. A Hitachi 207 type atomic absorption spectrophotometer was used. A deuterium lamp, a home-made continuous radiation lamp and some hollow cathode lamps were used as light sources. The new molecular absorption spectra of cerium, lanthanum and platinum and the absorption spectra due to Be(OH) 2 , LaO, PtH, FeO and FeCl in 200-400 nm region were obtained. Emission spectra of CeO, LaO and FeOH were also obtained. These molecular absorption bands were estimated as absorption errors of maximum 15 times to the sensitivity of each elements in atomic absorption spectrometry. In addition, spectral line interferences of iron were observed in atomic absorption spectrometry of Zn, Cd, Ni, Cu and Cr. (author)

  15. Light absorption during alkali atom-noble gas atom interactions at thermal energies: a quantum dynamics treatment.

    Science.gov (United States)

    Pacheco, Alexander B; Reyes, Andrés; Micha, David A

    2006-10-21

    The absorption of light during atomic collisions is treated by coupling electronic excitations, treated quantum mechanically, to the motion of the nuclei described within a short de Broglie wavelength approximation, using a density matrix approach. The time-dependent electric dipole of the system provides the intensity of light absorption in a treatment valid for transient phenomena, and the Fourier transform of time-dependent intensities gives absorption spectra that are very sensitive to details of the interaction potentials of excited diatomic states. We consider several sets of atomic expansion functions and atomic pseudopotentials, and introduce new parametrizations to provide light absorption spectra in good agreement with experimentally measured and ab initio calculated spectra. To this end, we describe the electronic excitation of the valence electron of excited alkali atoms in collisions with noble gas atoms with a procedure that combines l-dependent atomic pseudopotentials, including two- and three-body polarization terms, and a treatment of the dynamics based on the eikonal approximation of atomic motions and time-dependent molecular orbitals. We present results for the collision induced absorption spectra in the Li-He system at 720 K, which display both atomic and molecular transition intensities.

  16. Atomic reactor thermal engineering

    International Nuclear Information System (INIS)

    Kim, Gwang Ryong

    1983-02-01

    This book starts the introduction of atomic reactor thermal engineering including atomic reaction, chemical reaction, nuclear reaction neutron energy and soon. It explains heat transfer, heat production in the atomic reactor, heat transfer of fuel element in atomic reactor, heat transfer and flow of cooler, thermal design of atomic reactor, design of thermodynamics of atomic reactor and various. This deals with the basic knowledge of thermal engineering for atomic reactor.

  17. Atomic energy

    International Nuclear Information System (INIS)

    Ramanna, R.

    1978-01-01

    Development of nuclear science in India, particularly the research and development work at the Bhabha Atomic Research Centre (BARC), Bombay, is described. Among the wide range of materials developed for specific functions under rigorous conditions are nuclear pure grade uranium, zirconium and beryllium, and conventional materials like aluminium, carbon steel and stainless steels. Radioisotopes are produced and used for tracer studies in various fields. Various types of nuclear gauges and nuclear instruments are produced. Radiations have been used to develop new high yielding groundnut mutants with large kernals. The sterile male technique for pest control and radiosterilization technique to process potatoes, onions and marine foods for storage are ready for exploitation. Processes and equipment have been developed for production of electrolytic hydrogen, electrothermal phosphorus and desalinated water. Indigenously manufactured components and materials are now being used for the nuclear energy programme. Indian nuclear power programme strategy is to build heavy water reactors and to utilise their byproduct plutonium and depleted uranium to feed fast breeder reactors which will produce more fissile material than burnt. Finally a special mention has been made of the manpower development programme of the BARC. BARC has established a training school in 1957 giving advanced training in physics, chemistry and various branches of engineering and metallurgy

  18. Effect of deuteration on the vibrational spectra of organic molecules

    International Nuclear Information System (INIS)

    Billes, Ferenc; Endredi, Henrietta; Varady, Balazs

    2001-01-01

    The stable isotope substitution of organic compounds deforms their vibrational spectra. The modifications of the spectra appear as band shifts and changes in intensities and shapes of the bands. The magnitude of the effect depends on the ratio of the masses of the new and old isotopes and on the atom active position. According to these mentioned reasons large effects can be observed only if hydrogen atoms are substituted. With the effect of the substitution we dealt already in a former lecture. In this lecture we concentrate on the effect of the change of hydrogen to deuterium. We investigate the changes both experimentally and theoretically. There are two possibilities: - the hydrogen atom is in an active position, its interaction with the environment is strong, either it can dissociate or move on the skeleton of the molecule (tautomerism, resonance) and it can build hydrogen bond, (e.g. it is connected to nitrogen and oxygen atoms); - the hydrogen atom is in an indifferent position in the molecule, its interaction with the environment is weak (e.g. it joins carbon atom). When building the hydrogen bond besides the hydrogen donors also acceptors exist, namely, oxygen and nitrogen atoms having non-bonded electron pairs. When comparing the experimental and theoretical (calculated) effects of this type of isotope changes one must take into account that the calculations refer to the isolated molecule while the experimental spectra characterize the compound. The hydrogen bond is a very strong intermolecular interaction and produces tremendous changes in the infrared spectrum of the molecule in comparison to the imagined theoretical spectrum of the molecule. Some bands disappear, appear, or shift and deform drastically. The H/D change diminishes these effects. Of course, these changes entail the shift of several bands. The Raman spectrum is less sensitive to the large dipole moment changes therefore the deuteration effect is there less dramatic. Deuteration of hydrogen

  19. 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: Catalin.Miron@synchrotron-soleil.fr [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)

    2015-09-28

    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.

  20. International bulletin on atomic and molecular data for fusion. No. 60

    International Nuclear Information System (INIS)

    Stephens, J.A.; Bannister, M.E.; Delcroix, J.L.; Fuhr, J.

    2001-06-01

    This bulletin comprises updated atomic and molecular data for fusion. It includes the Atomic and Molecular Data Information System (AMDIS) of the IAEA. It contains two parts: a bibliographic database for atomic and molecular data for fusion research, and numerical databases of recommended and evaluated atomic, molecular and plasma-surface interaction data. The indexed papers are also listed separately for structure and spectra, atomic and molecular collisions, and surface interactions

  1. Atomic charges of sulfur in ionic liquids: experiments and calculations.

    Science.gov (United States)

    Fogarty, Richard M; Rowe, Rebecca; Matthews, Richard P; Clough, Matthew T; Ashworth, Claire R; Brandt, Agnieszka; Corbett, Paul J; Palgrave, Robert G; Smith, Emily F; Bourne, Richard A; Chamberlain, Thomas W; Thompson, Paul B J; Hunt, Patricia A; Lovelock, Kevin R J

    2017-12-14

    Experimental near edge X-ray absorption fine structure (NEXAFS) spectra, X-ray photoelectron (XP) spectra and Auger electron spectra are reported for sulfur in ionic liquids (ILs) with a range of chemical structures. These values provide experimental measures of the atomic charge in each IL and enable the evaluation of the suitability of NEXAFS spectroscopy and XPS for probing the relative atomic charge of sulfur. In addition, we use Auger electron spectroscopy to show that when XPS binding energies differ by less than 0.5 eV, conclusions on atomic charge should be treated with caution. Our experimental data provides a benchmark for calculations of the atomic charge of sulfur obtained using different methods. Atomic charges were computed for lone ions and ion pairs, both in the gas phase (GP) and in a solvation model (SMD), with a wide range of ion pair conformers considered. Three methods were used to compute the atomic charges: charges from the electrostatic potential using a grid based method (ChelpG), natural bond orbital (NBO) population analysis and Bader's atoms in molecules (AIM) approach. By comparing the experimental and calculated measures of the atomic charge of sulfur, we provide an order for the sulfur atoms, ranging from the most negative to the most positive atomic charge. Furthermore, we show that both ChelpG and NBO are reasonable methods for calculating the atomic charge of sulfur in ILs, based on the agreement with both the XPS and NEXAFS spectroscopy results. However, the atomic charges of sulfur derived from ChelpG are found to display significant, non-physical conformational dependence. Only small differences in individual atomic charge of sulfur were observed between lone ion (GP) and ion pair IL(SMD) model systems, indicating that ion-ion interactions do not strongly influence individual atomic charges.

  2. Quantification of aluminium-27 NMR spectra of high-surface-area oxides

    International Nuclear Information System (INIS)

    Pearson, R.M.; Schramm, C.M.

    1990-01-01

    This paper discusses the quantitation of 27 Al NMR spectra. It is showns that the so called 'invisible' aluminium atoms seen by recent workers are completely consistent with known continuous wave NMR studies of the 27 Al NMR spectra of high surface area aluminium oxides. The use of pulsed NMR techniques further complicate the quantitative measurement of 27 Al NMR spectra, especially when high resolution NMR spectrometers are used for this purpose. Methods are described which allow both the estimation of aluminium not seen by continuous wave techniques and the amounts of the NMR spectra lost in pulsed work. (author). 24 refs.; 6 figs.; 1 tab

  3. Raman spectra of lithium compounds

    Science.gov (United States)

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

    2017-11-01

    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.

  4. FSFE: Fake Spectra Flux Extractor

    Science.gov (United States)

    Bird, Simeon

    2017-10-01

    The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

  5. Beta-energy averaging and beta spectra

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1976-07-01

    A simple yet highly accurate method for approximately calculating spectrum-averaged beta energies and beta spectra for radioactive nuclei is presented. This method should prove useful for users who wish to obtain accurate answers without complicated calculations of Fermi functions, complex gamma functions, and time-consuming numerical integrations as required by the more exact theoretical expressions. Therefore, this method should be a good time-saving alternative for investigators who need to make calculations involving large numbers of nuclei (e.g., fission products) as well as for occasional users interested in restricted number of nuclides. The average beta-energy values calculated by this method differ from those calculated by ''exact'' methods by no more than 1 percent for nuclides with atomic numbers in the 20 to 100 range and which emit betas of energies up to approximately 8 MeV. These include all fission products and the actinides. The beta-energy spectra calculated by the present method are also of the same quality

  6. Prediction of peak overlap in NMR spectra

    International Nuclear Information System (INIS)

    Hefke, Frederik; Schmucki, Roland; Güntert, Peter

    2013-01-01

    Peak overlap is one of the major factors complicating the analysis of biomolecular NMR spectra. We present a general method for predicting the extent of peak overlap in multidimensional NMR spectra and its validation using both, experimental data sets and Monte Carlo simulation. The method is based on knowledge of the magnetization transfer pathways of the NMR experiments and chemical shift statistics from the Biological Magnetic Resonance Data Bank. Assuming a normal distribution with characteristic mean value and standard deviation for the chemical shift of each observable atom, an analytic expression was derived for the expected overlap probability of the cross peaks. The analytical approach was verified to agree with the average peak overlap in a large number of individual peak lists simulated using the same chemical shift statistics. The method was applied to eight proteins, including an intrinsically disordered one, for which the prediction results could be compared with the actual overlap based on the experimentally measured chemical shifts. The extent of overlap predicted using only statistical chemical shift information was in good agreement with the overlap that was observed when the measured shifts were used in the virtual spectrum, except for the intrinsically disordered protein. Since the spectral complexity of a protein NMR spectrum is a crucial factor for protein structure determination, analytical overlap prediction can be used to identify potentially difficult proteins before conducting NMR experiments. Overlap predictions can be tailored to particular classes of proteins by preparing statistics from corresponding protein databases. The method is also suitable for optimizing recording parameters and labeling schemes for NMR experiments and improving the reliability of automated spectra analysis and protein structure determination.

  7. Theoretical Analysis of Rydberg and Autoionizing State Spectra of Antimony

    Institute of Scientific and Technical Information of China (English)

    Shuang-Fei Lv; Ruohong Li; Feng-Dong Jia; Xiao-Kang Li; Jens Lassen; Zhi-Ping Zhong

    2017-01-01

    We calculate the Rydberg and autoionization Rydberg spectra of antimony (Sb) from first principles by relativistic multichannel theory within the framework of multichannel quantum defect theory.Our calculation can be used to classify and assign the atomic states described in recently reported three Rydberg series and four autoionizing states.The perturbation effects on line intensity,variation and line profile are discussed.Assignments of the perturber states and autoionizing states are presented.

  8. Photoinduced Effects in the ZnO Luminescence Spectra

    Science.gov (United States)

    Akopyan, I. Kh.; Labzovskaya, M. E.; Novikov, B. V.; Lisachenko, A. A.; Serov, A. Yu.; Filosofov, N. G.

    2018-02-01

    The effect of intense UV irradiation on the photoluminescence (PL) spectra of ZnO powders and nanocrystalline films obtained by atomic layer deposition (ALD) was investigated. At room temperature, the behavior of the spectra under continuous UV irradiation in multiple vacuum-atmosphere cycles was studied. The changes in the intensities of exciton radiation and radiation in the "green" band region, associated with the phenomena of oxygen photodesorption and photoadsorption, are discussed. In the temperature range of 5-300 K, the effect of strong UV irradiation on the near-edge luminescence spectrum of ZnO films was studied. The nature of a new line arising in the photoluminescence spectra of an irradiated film in the region of emission of bound excitons is discussed.

  9. Infrared spectra of mineral species

    CERN Document Server

    Chukanov, Nikita V

    2014-01-01

    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.

  10. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    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...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

  11. Core Level Spectra of Organic Molecules Adsorbed on Graphene

    Directory of Open Access Journals (Sweden)

    Abhilash Ravikumar

    2018-03-01

    Full Text Available We perform first principle calculations based on density functional theory to investigate the effect of the adsorption of core-excited organic molecules on graphene. We simulate Near Edge X-ray absorption Fine Structure (NEXAFS and X-ray Photoemission Spectroscopy (XPS at the N and C edges for two moieties: pyridine and the pyridine radical on graphene, which exemplify two different adsorption characters. The modifications of molecular and graphene energy levels due to their interplay with the core-level excitation are discussed. We find that upon physisorption of pyridine, the binding energies of graphene close to the adsorption site reduce mildly, and the NEXAFS spectra of the molecule and graphene resemble those of gas phase pyridine and pristine graphene, respectively. However, the chemisorption of the pyridine radical is found to significantly alter these core excited spectra. The C 1s binding energy of the C atom of graphene participating in chemisorption increases by ∼1 eV, and the C atoms of graphene alternate to the adsorption site show a reduction in the binding energy. Analogously, these C atoms also show strong modifications in the NEXAFS spectra. The NEXAFS spectrum of the chemisorbed molecule is also modified as a result of hybridization with and screening by graphene. We eventually explore the electronic properties and magnetism of the system as a core-level excitation is adiabatically switched on.

  12. Multifractal spectra in shear flows

    Science.gov (United States)

    Keefe, L. R.; Deane, Anil E.

    1989-01-01

    Numerical simulations of three-dimensional homogeneous shear flow and fully developed channel flow, are used to calculate the associated multifractal spectra of the energy dissipation field. Only weak parameterization of the results with the nondimensional shear is found, and this only if the flow has reached its asymptotic development state. Multifractal spectra of these flows coincide with those from experiments only at the range alpha less than 1.

  13. Sequential Analysis of Gamma Spectra

    International Nuclear Information System (INIS)

    Fayez-Hassan, M.; Hella, Kh.M.

    2009-01-01

    This work shows how easy one can deal with a huge number of gamma spectra. The method can be used for radiation monitoring. It is based on the macro feature of the windows XP connected to QBASIC software. The routine was used usefully in generating accurate results free from human errors. One hundred measured gamma spectra were fully analyzed in 10 minutes using our fast and automated method controlling the Genie 2000 gamma acquisition analysis software.

  14. Atomic weight versus atomic mass controversy

    International Nuclear Information System (INIS)

    Holden, N.E.

    1985-01-01

    A problem for the Atomic Weights Commission for the past decade has been the controversial battle over the names ''atomic weight'' and ''atomic mass''. The Commission has considered the arguments on both sides over the years and it appears that this meeting will see more of the same discussion taking place. In this paper, I review the situation and offer some alternatives

  15. Recent Developments in the NIST Atomic Databases

    Science.gov (United States)

    Kramida, Alexander

    2011-05-01

    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.

  16. Recent Developments in the NIST Atomic Databases

    International Nuclear Information System (INIS)

    Kramida, Alexander

    2011-01-01

    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.

  17. Response spectra in alluvial soils

    International Nuclear Information System (INIS)

    Chandrasekharan, A.R.; Paul, D.K.

    1975-01-01

    For aseismic design of structures, the ground motion data is assumed either in the form of ground acceleration as a function of time or indirectly in the form of response spectra. Though the response spectra approach has limitations like not being applicable for nonlinear problems, it is usually used for structures like nuclear power plants. Fifty accelerograms recorded at alluvial sites have been processed. Since different empirical formulas relating acceleration with magnitude and distance give a wide scatter of values, peak ground acceleration alone cannot be the parameter as is assumed by a number of authors. The spectra corresponding to 5% damping have been normalised with respect to three parameters, namely, peak ground acceleration, peak ground velocity and a nondimensional quantity ad/v 2 . Envelopee of maxima and minima as well as average response spectra has been obtained. A comparison with the USAEC spectra has been made. A relation between ground acceleration, ground velocity and ad/v 2 has been obtained which would nearly give the same magnification of the response. A design response spectra for alluvial soils has been recommended. (author)

  18. Spectral interferences in atomic absorption spectrometry, (5)

    International Nuclear Information System (INIS)

    Daidoji, Hidehiro

    1979-01-01

    Spectral interferences were observed in trace element analysis of concentrated solutions by atomic absorption spectrometry. Molecular absorption and emission spectra for strontium chloride and nitrate, barium chloride and nitrate containing 12 mg/ml of metal ion in airacetylene flame were measured in the wavelength range from 200 to 700 nm. The absorption and emission spectra of SrO were centered near 364.6 nm. The absorption spectra of SrOH around 606.0, 671.0 and 682.0 nm were very strong. And, emission spectrum of BaOH in the wavelength range from 480 to 550 nm was stronger. But, the absorption of this band spectrum was very weak. In the wavelength range from 200 to 400 nm, some unknown bands of absorption were observed for strontium and barium. Absorption spectra of SrCl and BaCl were observed in the argon-hydrogen flame. Also, in the carbon tube atomizer, the absorption spectra of SrCl and BaCl were detected clearly in the wavelength range from 185 to 400 nm. (author)

  19. Highly excited atoms

    International Nuclear Information System (INIS)

    Kleppner, D.; Littman, M.G.; Zimmerman, M.L.

    1981-01-01

    Highly excited atoms are often called Rydberg atoms. These atoms have a wealth of exotic properties which are discussed. Of special interest, are the effects of electric and magnetic fields on Rydberg atoms. Ordinary atoms are scarcely affected by an applied electric or magnetic field; Rydberg atoms can be strongly distorted and even pulled apart by a relatively weak electric field, and they can be squeezed into unexpected shapes by a magnetic field. Studies of the structure of Rydberg atoms in electric and magnetic fields have revealed dramatic atomic phenomena that had not been observed before

  20. Laser-assisted atom-atom collisions

    International Nuclear Information System (INIS)

    Roussel, F.

    1984-01-01

    The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)

  1. Continuous magnetic trapping of laser cooled atoms

    International Nuclear Information System (INIS)

    Bagnato, V.S.; Lafyatis, G.; Martin, A.G.; Raab, E.L.; Landry, J.; Ahmad-Bitar, R.N.; Pritchard, D.E.

    1987-01-01

    The authors present here initial results of the deceleration of a thermal atomic beam from -- 1000 to -- 100 m/s. The experiment was conducted in the 1.4-m long vertical superconducting solenoid which produced the slowing field. The fluorescence of the slowed atomic beam has been studied as a function of laser frequency. Figure 2 is a 12-GHz scan showing the fluorescence at a position 150 cm from the beginning of the solenoid. The wide peak corresponds to unslowed atoms with generally the initial velocity distribution. The second, narrower, peak corresponds to slowed atoms with a velocity of -- 150 m/s. Similar spectra have been obtained for various positions along the magnetic slower and trap. These data should allow better understanding of the cooling process and will be compared to computer models

  2. Highly Dense Isolated Metal Atom Catalytic Sites

    DEFF Research Database (Denmark)

    Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei

    2015-01-01

    -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......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...

  3. Effect of inelastic energy losses on development of atom-atom collision cascades

    International Nuclear Information System (INIS)

    Marinyuk, V.V.; Remizovich, V.S.

    2001-01-01

    The problem of influence of inelastic energy losses (ionization braking) of particles on the development of atom-atom collision cascades in infinite medium was studied theoretically. Main attention was paid to study of angular and energy distributions of primary ions and cascade atoms in the presence of braking. Analytical calculations were made in the assumption that single scattering of particles occurs by solid balls law, while the value of electron braking ability of a medium is determined by the Lindhard formula. It is shown that account of braking (directly when solving the Boltzmann transport equation) changes in principle the previously obtained angular and energy spectra of ions and cascade atoms. Moreover, it is the braking that is the determining factor responsible for anisotropy of angular distributions of low-energy primary ions and cascade atoms [ru

  4. Code ATOM for calculation of atomic characteristics

    International Nuclear Information System (INIS)

    Vainshtein, L.A.

    1990-01-01

    In applying atomic physics to problems of plasma diagnostics, it is necessary to determine some atomic characteristics, including energies and transition probabilities, for very many atoms and ions. Development of general codes for calculation of many types of atomic characteristics has been based on general but comparatively simple approximate methods. The program ATOM represents an attempt at effective use of such a general code. This report gives a brief description of the methods used, and the possibilities of and limitations to the code are discussed. Characteristics of the following processes can be calculated by ATOM: radiative transitions between discrete levels, radiative ionization and recombination, collisional excitation and ionization by electron impact, collisional excitation and ionization by point heavy particle (Born approximation only), dielectronic recombination, and autoionization. ATOM explores Born (for z=1) or Coulomb-Born (for z>1) approximations. In both cases exchange and normalization can be included. (N.K.)

  5. Atomic and Molecular Data Activities at NIFS in 2009 - 2011

    International Nuclear Information System (INIS)

    Murakami, I.

    2011-01-01

    We open and maintain the NIFS atomic and molecular numerical databases. Numbers of data records increase to 476,048 in total (as of Aug. 23, 2011) and mainly new data are added for AMDIS (electron impact ionization, excitation, and recombination cross sections and rate coefficients) and CHART (charge transfer of atom - ion collisions cross sections) during last two years. A collaboration group has started for research on atomic and molecular processes in plasma using the Large Helical Device and we measure visible and extreme ultraviolet spectra of W and rare earth elements. We also organize a collaboration group with atomic physicists from Japanese universities for research on W to study atomic data, spectra and collisional-radiative models for W ions. (author)

  6. Multivariate analysis of TOF-SIMS spectra of monolayers on scribed silicon.

    Science.gov (United States)

    Yang, Li; Lua, Yit-Yian; Jiang, Guilin; Tyler, Bonnie J; Linford, Matthew R

    2005-07-15

    Static time-of-flight secondary ion mass spectrometry (TOF-SIMS) was performed on monolayers on scribed silicon (Si(scr)) derived from 1-alkenes, 1-alkynes, 1-holoalkanes, aldehydes, and acid chlorides. To rapidly determine the variation in the data without introducing user bias, a multivariate analysis was performed. First, principal components analysis (PCA) was done on data obtained from silicon scribed with homologous series of aldehydes and acid chlorides. For this study, the positive ion spectra, the negative ion spectra, and the concatentated (linked) positive and negative ion spectra were preprocessed by normalization, mean centering, and autoscaling. The mean centered data consistently showed the best correlations between the scores on PC1 and the number of carbon atoms in the adsorbate. These correlations were not as strong for the normalized and autoscaled data. After reviewing these methods, it was concluded that mean centering is the best preprocessing method for TOF-SIMS spectra of monolayers on Si(scr). A PCA analysis of all of the positive ion spectra revealed a good correlation between the number of carbon atoms in all of the adsorbates and the scores on PC1. PCA of all of the negative ion spectra and the concatenated positive and negative ion spectra showed a correlation based on the number of carbon atoms in the adsorbate and the class of the adsorbate. These results imply that the positive ion spectra are most sensitive to monolayer thickness, while the negative ion spectra are sensitive to the nature of the substrate-monolayer interface and the monolayer thickness. Loadings show an inverse relationship between (inorganic) fragments that are expected from the substrate and (organic) fragments expected from the monolayer. Multivariate peak intensity ratios were derived. It is also suggested that PCA can be used to detect outlier surfaces. Partial least squares showed a strong correlation between the number of carbon atoms in the adsorbate and the

  7. Auger transitions in singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Mehlhorn, W.

    1978-01-01

    Some recent progress in Auger and autoionizing electron spectrometry of free metal atoms and of multiply ionized atoms is reviewed. The differences which arise between the spectra of atoms in the gaseous and the solid state are due to solid state effects. This will be shown for Cd as an example. The super Coster-Kronig transitions 3p-3d 2 (hole notation) and Coster-Kronig transitions 3p-3d 4s have been measured and compared with free-atom calculations for free Zn atoms. The experimental width GAMMA(3p)=(2.1+-0.2)eV found for the free atom agrees with the value obtained for solid Zn but is considerably smaller than the theoretical value for the free atom. Autoionizing spectra of Na following an L-shell excitation or ionization by different particles are compared and discussed. The nonisotropic angular distribution of electrons from the transition 2p 5 3s 2 2 Psub(3/2)→2p 6 +e - is compared with theoretical calculations. Two examples for Auger spectrometry of multiply ionized atoms are given: (1) excitation of neon target atoms by light and heavy ions, and (2) excitation of projectile ions Be + and B + in single gas collisions with CH 4 . A strong alignment of the excited atoms has also been found here

  8. Displacement cross sections and PKA spectra: tables and applications

    International Nuclear Information System (INIS)

    Doran, D.G.; Graves, N.J.

    1976-12-01

    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

  9. RCI Simulation for EUV spectra from Sn ions

    International Nuclear Information System (INIS)

    Kagawa, T; Tanuma, H; Ohashi, H; Nishihara, K

    2007-01-01

    Using the relativistic-configuration-interaction atomic structure code, RCI simulations for EUV spectra from Sn 10+ , Sn 11+ and Sn 12+ ions are carried out, where it is assumed that each ion is embedded in a LTE plasma with the electron temperature of 30 eV. To make clear assignment of the measured spectra, the value of the excitation energy limit, which is introduced to limit the number of excited states in the simulation, is changed to see the excitation-energy-limit dependence of the spectral shape. The simulated spectra are obtained as a superposition of line intensities due to all possible transitions between two states whose excitation energy from the ground state is lower than the excitation energy limit assumed. The RCI simulated spectra are compared to the spectra measured with the chargeexchange- collision experiment in which a rare gas such as Xe or He as a target is bombarded by a charge-selected tin ion. Applicability of the LTE model to a decay model in the charge exchange collision experiment is also discussed

  10. Interplay of vacuum-mediated inter- and intra-atomic couplings in a pair of atoms

    International Nuclear Information System (INIS)

    Schmid, Sandra Isabelle; Evers, Joerg

    2010-01-01

    The resonance fluorescence emitted by a system of two dipole-dipole interacting nearby four-level atoms in a J=1/2↔J=1/2 configuration is studied. This setup is the simplest realistic model system which provides a complete description of the (inter-atomic) dipole-dipole interaction for arbitrary orientation of the inter-atomic distance vector, and at the same time allows for intra-atomic spontaneously generated coherences. Our main interest is the interplay of both these different coupling mechanisms. We discuss different methods to analyze the contribution of the various vacuum-induced coupling constants to the total resonance fluorescence spectrum. These allow us to find a dressed state interpretation of the contribution of the different inter-atomic dipole-dipole couplings to the total spectrum. We further study the role of the spontaneously generated coherences, and identify two different contributions to the single-particle vacuum-induced couplings. We show that they have a noticeable impact on the total resonance fluorescence spectrum down to small inter-atomic distances, even though the dipole-dipole coupling constants then are much larger in magnitude than the the single-particle coupling constants. Interestingly, we find that the inter-atomic couplings can induce an effect of the intra-atomic spontaneously generated coherences on the observed spectra which is not present in single-atom systems.

  11. Spectra of resonance surface photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Antsiferov, V.V.; Smirnov, G.I.; Telegin, G.G. [Budker Nuclear Physics Institute, Novosibirsk (Russian Federation)

    1995-09-01

    The theory of nonactivated electron transfer between atoms interacting reasonantly with coherent radiation and a metal surface is developed. The spectral resonances in photoabsorption and surface photoionization are found to be related to nonlinear interference effects in the interaction between discrete atomic levels and the continuum formed by the quasi-continuous electron spectrum of a normal metal. The asymmetry in the resonance surface photoionization spectrum is shown to have a shape typical of the Fano autoionization resonances. 18 refs.

  12. Biological Action Spectra (invited paper)

    International Nuclear Information System (INIS)

    Gruijl, F.R. de

    2000-01-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  13. Double photoionisation spectra of molecules

    CERN Document Server

    Eland, John

    2017-01-01

    This book contains spectra of the doubly charged positive ions (dications) of some 75 molecules, including the major constituents of terrestrial and planetary atmospheres and prototypes of major chemical groups. It is intended to be a new resource for research in all areas of molecular spectroscopy involving high energy environments, both terrestrial and extra-terrestrial. All the spectra have been produced by photoionisation using laboratory lamps or synchrotron radiation and have been measured using the magnetic bottle time-of-flight technique by coincidence detection of correlated electron pairs. Full references to published work on the same species are given, though for several molecules these are the first published spectra. Double ionisation energies are listed and discussed in relation to the molecular electronic structure of the molecules. A full introduction to the field of molecular double ionisation is included and the mechanisms by which double photoionisation can occur are examined in detail. A p...

  14. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    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: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

    2012-09-10

    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. Atomic fountain and applications

    International Nuclear Information System (INIS)

    Rawat, H.S.

    2000-01-01

    An overview of the development of working of MOT along with the basic principle of laser atom cooling and trapping is given. A technique to separate the cooled and trapped atoms from the MOT using atomic fountain technique will also be covered. The widely used technique for atomic fountain is, first to cool and trap the neutral atoms in MOT and then launch them in the vertical direction, using moving molasses technique. Using 133 Cs atomic fountain clock, time improvement of 2 to 3 order of magnitude over a conventional 133 Cs atomic clock has been observed

  16. Interferometry with atoms

    International Nuclear Information System (INIS)

    Helmcke, J.; Riehle, F.; Witte, A.; Kisters, T.

    1992-01-01

    Physics and experimental results of atom interferometry are reviewed and several realizations of atom interferometers are summarized. As a typical example of an atom interferometer utilizing the internal degrees of freedom of the atom, we discuss the separated field excitation of a calcium atomic beam using four traveling laser fields and demonstrate the Sagnac effect in a rotating interferometer. The sensitivity of this interferometer can be largely increased by use of slow atoms with narrow velocity distribution. We therefore furthermore report on the preparation of a laser cooled and deflected calcium atomic beam. (orig.)

  17. The structure of BPS spectra

    Science.gov (United States)

    Longhi, Pietro

    In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

  18. Automatic identification of mass spectra

    International Nuclear Information System (INIS)

    Drabloes, F.

    1992-01-01

    Several approaches to preprocessing and comparison of low resolution mass spectra have been evaluated by various test methods related to library search. It is shown that there is a clear correlation between the nature of any contamination of a spectrum, the basic principle of the transformation or distance measure, and the performance of the identification system. The identification of functionality from low resolution spectra has also been evaluated using several classification methods. It is shown that there is an upper limit to the success of this approach, but also that this can be improved significantly by using a very limited amount of additional information. 10 refs

  19. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua; Gong Jian; Liu Xiaoya

    2006-01-01

    In the investigation of radiation fingerprint comparison, it is found out that some of the popular gamma spectra analysis software have shortcomings, which decrease the radiation fingerprint comparison precision. So a new analysis software is developed for solving the problems. In order to display the advantage of developed program, some typical simulative warhead gamma spectra are analyzed respectively by present software and GAMMAVISION and GENNIE2000. Present software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  20. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Adams, S.; Seaton, M.J.

    1982-01-01

    Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

  1. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua

    2006-12-01

    During the investigation of radiation fingerprint comparison, it is found out that the popular gamma spectra analysis softwares are faultful, which decrease the precision of radiation fingerprint comparison. So a new analysis software is development for solving the problems. In order to display the advantage of new program, some typical simulative gamma spectra of radiation source are analyzed respectively by our software and GAMMAVISION and GENNIE2000. The software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  2. Raman spectra studies of dipeptides

    International Nuclear Information System (INIS)

    Blanchard, Simone.

    1977-10-01

    This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

  3. 35Cl, sup(79,81)Br NQR spectra of chalcogenide molybdenum (5) complexes

    International Nuclear Information System (INIS)

    Fokina, Z.A.; Kuznetsov, S.I.; Timoshchenko, N.I.; Kolesnichenko, V.L.; Bryukhova, E.V.; Semin, G.K.

    1984-01-01

    The NQR spectra of molybdenum thioselenohalogenides MoS 2 SeX 5 (X=Cl, Br) are studied. A high-frequency doublet and a low-frequency triplet are observed in both spectra, one of the lines in the latter being noticeably higher by frequency than two others. The NKR spectra structure, with accoUnt of data on thermography and IR-spectroscopy, points to the MoS 2 X 3 xSeX 2 strrcture where two halide atoms are bound with a chalcogen atom and three others with Mo, one of the three chalcogen atoms being in trans-position to SeX 2 . Essential splittings in low-frequency triplet take place at the expense of intrasphere effect of coordinated S 2 -2 and SeX 2 groups

  4. Three-atom clusters

    International Nuclear Information System (INIS)

    Pen'kov, F.M.

    1998-01-01

    The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example

  5. Stable atomic hydrogen: Polarized atomic beam source

    International Nuclear Information System (INIS)

    Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

    1984-01-01

    We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

  6. AtomDB: Expanding an Accessible and Accurate Atomic Database for X-ray Astronomy

    Science.gov (United States)

    Smith, Randall

    Since its inception in 2001, the AtomDB has become the standard repository of accurate and accessible atomic data for the X-ray astrophysics community, including laboratory astrophysicists, observers, and modelers. Modern calculations of collisional excitation rates now exist - and are in AtomDB - for all abundant ions in a hot plasma. AtomDB has expanded beyond providing just a collisional model, and now also contains photoionization data from XSTAR as well as a charge exchange model, amongst others. However, building and maintaining an accurate and complete database that can fully exploit the diagnostic potential of high-resolution X-ray spectra requires further work. The Hitomi results, sadly limited as they were, demonstrated the urgent need for the best possible wavelength and rate data, not merely for the strongest lines but for the diagnostic features that may have 1% or less of the flux of the strong lines. In particular, incorporation of weak but powerfully diagnostic satellite lines will be crucial to understanding the spectra expected from upcoming deep observations with Chandra and XMM-Newton, as well as the XARM and Athena satellites. Beyond incorporating this new data, a number of groups, both experimental and theoretical, have begun to produce data with errors and/or sensitivity estimates. We plan to use this to create statistically meaningful spectral errors on collisional plasmas, providing practical uncertainties together with model spectra. We propose to continue to (1) engage the X-ray astrophysics community regarding their issues and needs, notably by a critical comparison with other related databases and tools, (2) enhance AtomDB to incorporate a large number of satellite lines as well as updated wavelengths with error estimates, (3) continue to update the AtomDB with the latest calculations and laboratory measurements, in particular velocity-dependent charge exchange rates, and (4) enhance existing tools, and create new ones as needed to

  7. Laser-cooled atomic ions as probes of molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Kenneth R.; Viteri, C. Ricardo; Clark, Craig R.; Goeders, James E.; Khanyile, Ncamiso B.; Vittorini, Grahame D. [Schools of Chemistry and Biochemistry, Computational Science and Engineering and Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

    2015-01-22

    Trapped laser-cooled atomic ions are a new tool for understanding cold molecular ions. The atomic ions not only sympathetically cool the molecular ions to millikelvin temperatures, but the bright atomic ion fluorescence can also serve as a detector of both molecular reactions and molecular spectra. We are working towards the detection of single molecular ion spectra by sympathetic heating spectroscopy. Sympathetic heating spectroscopy uses the coupled motion of two trapped ions to measure the spectra of one ion by observing changes in the fluorescence of the other ion. Sympathetic heating spectroscopy is a generalization of quantum logic spectroscopy, but does not require ions in the motional ground state or coherent control of the ion internal states. We have recently demonstrated this technique using two isotopes of Ca{sup +} [Phys. Rev. A, 81, 043428 (2010)]. Limits of the method and potential applications for molecular spectroscopy are discussed.

  8. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  9. Vibrational spectra of ordered perovskites

    NARCIS (Netherlands)

    Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

    1972-01-01

    The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

  10. Raman spectra of graphene ribbons

    International Nuclear Information System (INIS)

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  11. Explanation of earthquake response spectra

    OpenAIRE

    Douglas, John

    2017-01-01

    This is a set of five slides explaining how earthquake response spectra are derived from strong-motion records and simple models of structures and their purpose within seismic design and assessment. It dates from about 2002 and I have used it in various introductory lectures on engineering seismology.

  12. Giant resonances in atoms and in fluorine cage molecules

    International Nuclear Information System (INIS)

    Mansfield, M.W.D.

    1987-01-01

    Giant resonances in the photoabsorption spectra of atoms occur in the extreme ultraviolet region of the electromagnetic spectrum. In order to observe absorption spectra in this region it is necessary to generate columns of atomic vapor which will often by very hot and chemically aggressive, and to contain them without solid windows between two regions of high vacuum, the spectrometer and the light source, usually an electron synchrotron. The technical problems are often formidable so that although it had long been recognized that giant resonances in solid lanthanides were essentially atomic phenomena (Fomichev et al. 1967, Dehmer et al. 1971) earlier investigations of giant resonances in atoms were limited to the more manageable elements which precede the transition rows, the inert gases, alkali and alkaline earth elements. In this paper the authors discusses the spectra of transition row atoms in order of decreasing localization (Smith and Kmetko 1983) viz. 4d → f, 5d → f, 3p → d, 4p → d and 5p → d. He tends to avoid discussion of the giant resonances themselves because their profiles and interpretation will be discussed comprehensively by other contributors. Instead he concentrates on the detailed analyses which have been attempted of the discrete structure which usually accompanies giant resonances in atoms. Interpretation of this structure can provide accurate determinations of thresholds for inner shell excitation in atoms and can also be used to anticipate structure which may overlie the giant resonances and distort their profiles. 75 references, 21 figures

  13. Skyshine spectra of gamma rays

    International Nuclear Information System (INIS)

    Swarup, Janardan

    1980-01-01

    A study of the spectra of gamma photons back-scattered in vertical direction by infinite air above ground (skyshine) is presented. The source for these measurements is a 650 Ci Cobalt-60 point-source and the skyshine spectra are reported for distances from 150 m to 325 m from the source, measured with a 5 cm x 5 cm NaI(Tl) detector collimated with collimators of 12 mm and 20 mm diameter and 5 cm length. These continuous spectra are unfolded with Gold's iterative technique. The photon-spectra so obtained have a distinct line at 72 keV due to multiply-scattered photons. This is an energy where photoelectric and Compton cross-sections for multiply-scattered photons balance each other. The intensity of the line(I) decreases exponentially with distance (d) from the source obeying a relation of the type I = Isub(o)esup(-μd) where μ is called as ''Multiply-Scatter Coefficient'', a constant of the medium which is air in these measurements. This relationship is explained in terms of a halo around the source comprising of multiply-scattered gamma photons, Isub(0) being the intensity of these scattered photons at the location of cobalt-source. A fraction called as ''Back-scattered Fraction'', the ratio of Isub(0) to the number of original photons from the cobalt-source entering the infinite air, is also calculated. It is shown that with a properly calibrated detector system, this fraction can be used to determine the strength of a large gamma source, viz. a nuclear explosion in air, and for mineral prospecting. These conclusions are general and can be applied to any other infinite medium. Some forward-scatter (transmission) spectra of cobalt-60 source through 10 cm of Pb and 2.5 cm of Al are also reported. (auth.)

  14. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    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...

  15. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    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...

  16. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-09-01

    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.

  17. Progress in atomic spectroscopy

    International Nuclear Information System (INIS)

    Beyer, H.J.; Kleinpoppen, H.

    1984-01-01

    This book presents reviews by leading experts in the field covering areas of research at the forefront of atomic spectroscopy. Topics considered include the k ordering of atomic structure, multiconfiguration Hartree-Fock calculations for complex atoms, new methods in high-resolution laser spectroscopy, resonance ionization spectroscopy (inert atom detection), trapped ion spectroscopy, high-magnetic-field atomic physics, the effects of magnetic and electric fields on highly excited atoms, x rays from superheavy collision systems, recoil ion spectroscopy with heavy ions, investigations of superheavy quasi-atoms via spectroscopy of electron rays and positrons, impact ionization by fast projectiles, and amplitudes and state parameters from ion- and atom-atom excitation processes

  18. Measurement of gamma-ray multiplicity spectra and the alpha value for {sup 235}U resonances

    Energy Technology Data Exchange (ETDEWEB)

    Grigor` ev, Yu V [Institute of Physics and Power Engineering, Obninsk (Russian Federation); Georgiev, G P; Stanchik, Kh [Joint Inst. for Nuclear Research, Dubna (Russian Federation)

    1997-06-01

    Gamma spectra from 1 to 12 multiplicity were measured on th 500 m flight path of the IBR-30 reactor using a 16-section 32 L NaI(Tl) crystal scintillation detector able to hold 2 metallic samples of 90% {sup 235}U and 10% {sup 238}U 0.00137 atoms/b and 0.00411 atoms/b thick. Multiplicity spectra were obtained for resolved resonances in the E = 1-150 eV energy region. They were used to determine the value of {alpha} = {sigma}{sub {gamma}}/{sigma}{sub f} for 165 resonances of {sup 235}U. (author). 6 refs, 7 figs, 1 tab.

  19. CHARGE-TRANSFER SATELLITES AND MULTIPLET SPLITTING IN X-RAY PHOTOEMISSION SPECTRA OF LATE TRANSITION-METAL HALIDES

    NARCIS (Netherlands)

    OKADA, K; KOTANI, A; THOLE, BT

    1992-01-01

    Core-level X-ray photoemission spectra (XPS) are calculated for Ni and Co dihalides with an MX6 cluster model (M = Ni, Co; X = F, Cl, Br), where intra-atomic multiplet coupling as well as covalency mixing is taken into account. The effects of the intra-atomic configuration interaction between

  20. Correlation between grade of pearlite spheroidization and laser induced spectra

    Science.gov (United States)

    Yao, Shunchun; Dong, Meirong; Lu, Jidong; Li, Jun; Dong, Xuan

    2013-12-01

    Laser induced breakdown spectroscopy (LIBS) which is used traditionally as a spectrochemical analytical technique was employed to analyze the grade of pearlite spheroidization. Three 12Cr1MoV steel specimens with different grades of pearlite spheroidization were ablated to produce plasma by pulse laser at 266 nm. In order to determine the optimal temporal condition and plasma parameters for correlating the grade of pearlite spheroidization and laser induced spectra, a set of spectra at different delays were analyzed by the principal component analysis method. Then, the relationship between plasma temperature, intensity ratios of ionic to atomic lines and grade of pearlite spheroidization was studied. The analysis results show that the laser induced spectra of different grades of pearlite spheroidization can be readily identifiable by principal component analysis in the range of 271.941-289.672 nm with 1000 ns delay time. It is also found that a good agreement exists between the Fe ionic to atomic line ratios and the tensile strength, whereas there is no obvious difference in the plasma temperature. Therefore, LIBS may be applied not only as a spectrochemical analytical technique but also as a new way to estimate the grade of pearlite spheroidization.

  1. Correlation between grade of pearlite spheroidization and laser induced spectra

    International Nuclear Information System (INIS)

    Yao, Shunchun; Dong, Meirong; Lu, Jidong; Li, Jun; Dong, Xuan

    2013-01-01

    Laser induced breakdown spectroscopy (LIBS) which is used traditionally as a spectrochemical analytical technique was employed to analyze the grade of pearlite spheroidization. Three 12Cr1MoV steel specimens with different grades of pearlite spheroidization were ablated to produce plasma by pulse laser at 266 nm. In order to determine the optimal temporal condition and plasma parameters for correlating the grade of pearlite spheroidization and laser induced spectra, a set of spectra at different delays were analyzed by the principal component analysis method. Then, the relationship between plasma temperature, intensity ratios of ionic to atomic lines and grade of pearlite spheroidization was studied. The analysis results show that the laser induced spectra of different grades of pearlite spheroidization can be readily identifiable by principal component analysis in the range of 271.941–289.672 nm with 1000 ns delay time. It is also found that a good agreement exists between the Fe ionic to atomic line ratios and the tensile strength, whereas there is no obvious difference in the plasma temperature. Therefore, LIBS may be applied not only as a spectrochemical analytical technique but also as a new way to estimate the grade of pearlite spheroidization. (paper)

  2. Atomic Fisher information versus atomic number

    International Nuclear Information System (INIS)

    Nagy, A.; Sen, K.D.

    2006-01-01

    It is shown that the Thomas-Fermi Fisher information is negative. A slightly more sophisticated model proposed by Gaspar provides a qualitatively correct expression for the Fisher information: Gaspar's Fisher information is proportional to the two-third power of the atomic number. Accurate numerical calculations show an almost linear dependence on the atomic number

  3. Atomic-fluorescence spectrophotometry

    International Nuclear Information System (INIS)

    Bakhturova, N.F.; Yudelevich, I.G.

    1975-01-01

    Atomic-fluorescence spectrophotometry, a comparatively new method for the analysis of trace quantities, has developed rapidly in the past ten years. Theoretical and experimental studies by many workers have shown that atomic-fluorescence spectrophotometry (AFS) is capable of achieving a better limit than atomic absorption for a large number of elements. The present review examines briefly the principles of atomic-fluorescence spectrophotometry and the types of fluorescent transition. The excitation sources, flame and nonflame atomizers, used in AFS are described. The limits of detection achieved up to the present, using flame and nonflame methods of atomization are given

  4. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain† †Electronic supplementary information (ESI) available: Bond distances and angles for 2 and 3, thermal ellipsoid plots, packing diagrams, PXRD data, magnetization curves, thermogravimetric analysis, and additional XNCD and XMCD plots and CD spectra. CCDC 1574514–1574516 and 1588703. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04131d

    Science.gov (United States)

    Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick

    2017-01-01

    A simple procedure based on anion exchange was employed for the enantiomeric resolution of the extended metal atom chain (EMAC) [Co3(dpa)4(MeCN)2]2+. Use of the chiral salt (NBu4)2[As2(tartrate)2], (Λ-1 or Δ-1), resulted in the selective crystallization of the EMAC enantiomers as [Δ-Co3(dpa)4(MeCN)2](NBu4)2[Λ-As2(tartarte)2]2, (Δ-2) and [Λ-Co3(dpa)4(MeCN)2](NBu4)2[Δ-As2(tartrate)2]2 (Λ-2), respectively, in the P4212 space group, whereas a racemic mixture of 1 yielded [Co3(dpa)4(MeCN)2][As2(tartrate)2]·2MeCN (rac-3), which crystallized in the C2/c space group. The local electronic and magnetic structure of the EMAC enantiomers was studied, exploiting a variety of dichroisms in single crystals. A strong linear dichroism at the Co K-edge was observed in the orthoaxial configuration, whereas it vanished in the axial orientation, thus spectroscopically confirming the D4 crystal symmetry. Compounds Δ-2 and Λ-2 are shown to be enantiopure materials as evidenced by mirror-image natural circular dichroism spectra in the UV/vis in solution and in the X-ray range at the Co K-edge in single crystals. The surprising absence of detectable X-ray magnetic circular dichroism or X-ray magnetochiral dichroism signals at the Co K-edge, even at low temperature (3 K) and a high magnetic field (17 T), is ascribed to a strongly delocalized spin density on the tricobalt core. PMID:29675158

  5. Top-Quark p(T) - Spectra at CMS and Flavor Independence of z - Scaling

    Czech Academy of Sciences Publication Activity Database

    Tokarev, M. V.; Zborovský, Imrich

    2017-01-01

    Roč. 14, č. 5 (2017), s. 681-686 ISSN 1547-4771 R&D Projects: GA MŠk(CZ) LG15052 Institutional support: RVO:61389005 Keywords : high energy * proton-proton collisions * self-similarity * top quark spectra Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

  6. Atomic and molecular data for optical stellar spectroscopy

    International Nuclear Information System (INIS)

    Heiter, U; Lind, K; Barklem, P S; Asplund, M; Bergemann, M; Magrini, L; Masseron, T; Mikolaitis, Š; Pickering, J C; Ruffoni, M P

    2015-01-01

    High-precision spectroscopy of large stellar samples plays a crucial role for several topical issues in astrophysics. Examples include studying the chemical structure and evolution of the Milky Way Galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Data are accumulating from instruments that obtain high-quality spectra of stars in the ultraviolet, optical and infrared wavelength regions on a routine basis. These instruments are located at ground-based 2–10 m class telescopes around the world, in addition to the spectrographs with unique capabilities available at the Hubble Space Telescope. The interpretation of these spectra requires high-quality transition data for numerous species, in particular neutral and singly ionized atoms, and di- or triatomic molecules. We rely heavily on the continuous efforts of laboratory astrophysics groups that produce and improve the relevant experimental and theoretical atomic and molecular data. The compilation of the best available data is facilitated by databases and electronic infrastructures such as the NIST Atomic Spectra Database, the VALD database, or the Virtual Atomic and Molecular Data Centre. We illustrate the current status of atomic data for optical stellar spectra with the example of the Gaia-ESO Public Spectroscopic Survey. Data sources for 35 chemical elements were reviewed in an effort to construct a line list for a homogeneous abundance analysis of up to 10 5 stars. (paper)

  7. Atomic and molecular data for optical stellar spectroscopy

    Science.gov (United States)

    Heiter, U.; Lind, K.; Asplund, M.; Barklem, P. S.; Bergemann, M.; Magrini, L.; Masseron, T.; Mikolaitis, Š.; Pickering, J. C.; Ruffoni, M. P.

    2015-05-01

    High-precision spectroscopy of large stellar samples plays a crucial role for several topical issues in astrophysics. Examples include studying the chemical structure and evolution of the Milky Way Galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Data are accumulating from instruments that obtain high-quality spectra of stars in the ultraviolet, optical and infrared wavelength regions on a routine basis. These instruments are located at ground-based 2-10 m class telescopes around the world, in addition to the spectrographs with unique capabilities available at the Hubble Space Telescope. The interpretation of these spectra requires high-quality transition data for numerous species, in particular neutral and singly ionized atoms, and di- or triatomic molecules. We rely heavily on the continuous efforts of laboratory astrophysics groups that produce and improve the relevant experimental and theoretical atomic and molecular data. The compilation of the best available data is facilitated by databases and electronic infrastructures such as the NIST Atomic Spectra Database, the VALD database, or the Virtual Atomic and Molecular Data Centre. We illustrate the current status of atomic data for optical stellar spectra with the example of the Gaia-ESO Public Spectroscopic Survey. Data sources for 35 chemical elements were reviewed in an effort to construct a line list for a homogeneous abundance analysis of up to 105 stars.

  8. The X-ray electronic spectra of TiC-NbC solid solution

    International Nuclear Information System (INIS)

    Cherkashenko, V.M.; Ezhov, A.V.; Nazarova, S.Z.; Kurmaev, Eh.Z.; Nojmann, M.

    2001-01-01

    X-ray photoelectronic spectra of inner levels and valency lands in TiC-NbC solid solutions were studied. Results of combining TiL α -, NbL β2.15 -, CK α - X-ray emission spectra and photoelectronic spectra of valency bands in one energy scale in reference to the Fermi level were analyzed. It is shown that a change in crystal lattice parameters, as well as charge redistribution between titanium and niobium atoms, produce a strong effect on electronic structure formation in the mixed carbides mentioned [ru

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

    International Nuclear Information System (INIS)

    Ortiz R, J.M.; Martinez B, M.R.; Vega C, H.R.

    2006-01-01

    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)

  10. A Single Atom Antenna

    International Nuclear Information System (INIS)

    Trinter, Florian; Williams, Joshua B; Weller, Miriam; Waitz, Markus; Pitzer, Martin; Voigtsberger, Jörg; Schober, Carl; Kastirke, Gregor; Müller, Christian; Goihl, Christoph; Burzynski, Phillip; Wiegandt, Florian; Wallauer, Robert; Kalinin, Anton; Schmidt, Lothar Ph H; Schöffler, Markus S; Jahnke, Till; Dörner, Reinhard; Chiang, Ying-Chih; Gokhberg, Kirill

    2015-01-01

    Here we demonstrate the smallest possible implementation of an antenna-receiver complex which consists of a single (helium) atom acting as the antenna and a second (neon) atom acting as a receiver. (paper)

  11. Atom chips: mesoscopic physics with cold atoms

    International Nuclear Information System (INIS)

    Krueger, P.; Wildermuth, S.; Hofferberth, S.; Haller, E.; GAllego Garcia, D.; Schmiedmayer, J.

    2005-01-01

    Full text: Cold neutral atoms can be controlled and manipulated in microscopic potentials near surfaces of atom chips. These integrated micro-devices combine the known techniques of atom optics with the capabilities of well established micro- and nanofabrication technology. In analogy to electronic microchips and integrated fiber optics, the concept of atom chips is suitable to explore the domain of mesoscopic physics with matter waves. We use current and charge carrying structures to form complex potentials with high spatial resolution only microns from the surface. In particular, atoms can be confined to an essentially one-dimensional motion. In this talk, we will give an overview of our experiments studying the manipulation of both thermal atoms and BECs on atom chips. First experiments in the quasi one-dimensional regime will be presented. These experiments profit from strongly reduced residual disorder potentials caused by imperfections of the chip fabrication with respect to previously published experiments. This is due to our purely lithographic fabrication technique that proves to be advantageous over electroplating. We have used one dimensionally confined BECs as an ultra-sensitive probe to characterize these potentials. These smooth potentials allow us to explore various aspects of the physics of degenerate quantum gases in low dimensions. (author)

  12. ACCELERATED FITTING OF STELLAR SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Yuan-Sen; Conroy, Charlie [Harvard–Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Rix, Hans-Walter [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

    2016-07-20

    Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15–30 labels simultaneously.

  13. Investigations of interhydrogen bond dynamical coupling effects in the polarized IR spectra of acetanilide crystals.

    Science.gov (United States)

    Flakus, Henryk T; Michta, Anna

    2010-02-04

    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.

  14. Reconstruction of neutron spectra through neural networks

    International Nuclear Information System (INIS)

    Vega C, H.R.; Hernandez D, V.M.; Manzanares A, E.

    2003-01-01

    A neural network has been used to reconstruct the neutron spectra starting from the counting rates of the detectors of the Bonner sphere spectrophotometric system. A group of 56 neutron spectra was selected to calculate the counting rates that would produce in a Bonner sphere system, with these data and the spectra it was trained the neural network. To prove the performance of the net, 12 spectra were used, 6 were taken of the group used for the training, 3 were obtained of mathematical functions and those other 3 correspond to real spectra. When comparing the original spectra of those reconstructed by the net we find that our net has a poor performance when reconstructing monoenergetic spectra, this attributes it to those characteristic of the spectra used for the training of the neural network, however for the other groups of spectra the results of the net are appropriate with the prospective ones. (Author)

  15. Theoretical studies on core-level spectra of solids

    International Nuclear Information System (INIS)

    Kotani, Akio

    1995-01-01

    I present a review on theoretical studies of core-level spectra (CLS) in solids. In CLS, the dynamical response of outer electrons to a core hole is reflected through the screening of core hole potential. Impurity Anderson model (IAM) or cluster model is successfully applied to the analysis of X-ray photoemission spectra (XPS) and X-ray absorption spectra (XAS) in f and d electron systems, where the f and d electron states are hybridized with the other valence or conduction electron states. The effect of the core-hole potential in the final state of XPS and XAS plays an important role, as well as the solid state hybridization and intra-atomic multiplet coupling effects. As typical examples, the calculated results for XPS of rare-earth compounds and transition metal compounds are shown, and some discussions are given. As a subject of remarkable progress with high brightness synchrotron radiation sources, I discuss some theoretical aspects of X-ray emission spectra (XES) and their resonant enhancement at the X-ray absorption threshold. Some experimental data and their theoretical analysis are also given. (author)

  16. 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

    1996-05-01

    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.)

  17. Calculation of β-ray spectra. Odd-odd nuclei

    International Nuclear Information System (INIS)

    Tachibana, Takahiro

    1996-01-01

    In order to study β-ray of atomic nucleus, it is natural to consider β-ray data fundamental and important. In a recent experiment, Rudstam measured β-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on β-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of β-ray through decay heat for its various properties due to the general theory of the β-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 β 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.)

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

    International Nuclear Information System (INIS)

    Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

    2015-01-01

    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

  19. 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: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [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)

    2015-08-28

    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.

  20. Biological Action Spectra (invited paper)

    Energy Technology Data Exchange (ETDEWEB)

    Gruijl, F.R. de

    2000-07-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  1. 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: kuroda@phys.c.u-tokyo.ac.jp [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)

    2016-12-21

    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.

  2. Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975

    International Nuclear Information System (INIS)

    1975-01-01

    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

  3. Raman Optical Activity and Raman Spectra of Amphetamine Species

    DEFF Research Database (Denmark)

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

    2012-01-01

    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 orbi......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...... 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...

  4. Resonant photoionization absorption spectra of spherical quantum dots

    CERN Document Server

    Bondarenko, V

    2003-01-01

    We study theoretically the mid-infrared photon absorption spectra due to bound-free transitions of electrons in individual spherical quantum dots. It is established that change of the dot size in one or two atomic layers or/and number of electrons by one or two can change the peak value of the absorption spectra in orders of magnitude and energy of absorbed photons by tens of millielectronvolts. The reason for this is the formation of specific free states, called resonance states. Numerical calculations are performed for quantum dots (QDs) with radius varying up to 200 A, and one to eight electrons occupying the two lowest bound states. It is supposed that realistic QD systems with resonance states would be of much advantage to design novel infrared QD photo-detectors.

  5. QCD's Partner Needed for Mass Spectra and Parton Structure Functions

    International Nuclear Information System (INIS)

    Kim, Y.S.

    2009-01-01

    as in the case of the hydrogen atom, bound-state wave functions are needed to generate hadronic spectra. For this purpose, in 1971, Feynman and his students wrote down a Lorentz-invariant harmonic oscillator equation. This differential equation has one set of solutions satisfying the Lorentz-covariant boundary condition. This covariant set generates Lorentz-invariant mass spectra with their degeneracies. Furthermore, the Lorentz-covariant wave functions allow us to calculate the valence parton distribution by Lorentz-boosting the quark-model wave function from the hadronic rest frame. However, this boosted wave function does not give an accurate parton distribution. The wave function needs QCD corrections to make a contact with the real world. Likewise, QCD needs the wave function as a starting point for calculating the parton structure function. (author)

  6. Atomic Energy Control Act

    International Nuclear Information System (INIS)

    1970-01-01

    This act provides for the establishment of the Atomic Energy Control Board. The board is responsible for the control and supervision of the development, application and use of atomic energy. The board is also considered necessary to enable Canada to participate effectively in measures of international control of atomic energy

  7. Atom-atom collision cascades localization

    International Nuclear Information System (INIS)

    Kirsanov, V.V.

    1980-01-01

    The presence of an impurity and thermal vibration influence on the atom-atom collision cascade development is analysed by the computer simulation method (the modificated dynamic model). It is discovered that the relatively low energetic cascades are localized with the temperature increase of an irradiated crystal. On the basis of the given effect the mechanism of splitting of the high energetic cascades into subcascades is proposed. It accounts for two factors: the primary knocked atom energy and the irradiated crystal temperature. Introduction of an impurity also localizes the cascades independently from the impurity atom mass. The cascades localization leads to intensification of the process of annealing in the cascades and reduction of the post-cascade vacancy cluster sizes. (author)

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

    International Nuclear Information System (INIS)

    El-Barbary, A. A.

    2016-01-01

    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 20 and C 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 2 molecule at peak around 4440 cm −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.

  9. AtomDB Progress Report: Atomic data and new models for X-ray spectroscopy.

    Science.gov (United States)

    Smith, Randall K.; Foster, Adam; Brickhouse, Nancy S.; Stancil, Phillip C.; Cumbee, Renata; Mullen, Patrick Dean; AtomDB Team

    2018-06-01

    The AtomDB project collects atomic data from both theoretical and observational/experimental sources, providing both a convenient interface (http://www.atomdb.org/Webguide/webguide.php) as well as providing input to spectral models for many types of astrophysical X-ray plasmas. We have released several updates to AtomDB in response to the Hitomi data, including new data for the Fe K complex, and have expanded the range of models available in AtomDB to include the Kronos charge exchange models from Mullen at al. (2016, ApJS, 224, 2). Combined with the previous AtomDB charge exchange model (http://www.atomdb.org/CX/), these data enable a velocity-dependent model for X-ray and EUV charge exchange spectra. We also present a new Kappa-distribution spectral model, enabling plasmas with non-Maxwellian electron distributions to be modeled with AtomDB. Tools are provided within pyAtomDB to explore and exploit these new plasma models. This presentation will review these enhancements and describe plans for the new few years of database and code development in preparation for XARM, Athena, and (hopefully) Arcus.

  10. Discrete Bose-Einstein spectra

    International Nuclear Information System (INIS)

    Vlad, Valentin I.; Ionescu-Pallas, Nicholas

    2001-03-01

    The Bose-Einstein energy spectrum of a quantum gas, confined in a rigid cubic box, is shown to become discrete and strongly dependent on the box geometry (size L), temperature, T and atomic mass number, A at , in the region of small γ=A at TV 1/3 . This behavior is the consequence of the random state degeneracy in the box. Furthermore, we demonstrate that the total energy does not obey the conventional law any longer, but a new law, which depends on γ and on the quantum gas fugacity. This energy law imposes a faster decrease to zero than it is classically expected, for γ→0. The lighter the gas atoms, the higher the temperatures or the box size, for the same effects in the discrete Bose-Einstein regime. (author)

  11. Noisy time-dependent spectra

    International Nuclear Information System (INIS)

    Shore, B.W.; Eberly, J.H.

    1983-01-01

    The definition of a time-dependent spectrum registered by an idealized spectrometer responding to a time-varying electromagnetic field as proposed by Eberly and Wodkiewicz and subsequently applied to the spectrum of laser-induced fluorescence by Eberly, Kunasz, and Wodkiewicz is here extended to allow a stochastically fluctuating (interruption model) environment: we provide an algorithm for numerical determination of the time-dependent fluorescence spectrum of an atom subject to excitation by an intense noisy laser and interruptive relaxation

  12. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    The need for generation of seismic acceleration histories to prescribed response spectra arises several ways in structural dynamics. For example, one way of obtaining floor spectra is to generate a history from a foundation spectra and then solve for the floor motion from which a floor spectrum can be obtained. Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE

  13. Gamma-ray burst spectra

    International Nuclear Information System (INIS)

    Teegarden, B.J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events

  14. Wavelet spectra of JACEE events

    International Nuclear Information System (INIS)

    Suzuki, Naomichi; Biyajima, Minoru; Ohsawa, Akinori.

    1995-01-01

    Pseudo-rapidity distributions of two high multiplicity events Ca-C and Si-AgBr observed by the JACEE are analyzed by a wavelet transform. Wavelet spectra of those events are calculated and compared with the simulation calculations. The wavelet spectrum of the Ca-C event somewhat resembles that simulated with the uniform random numbers. That of Si-AgBr event, however, is not reproduced by simulation calculations with Poisson random numbers, uniform random numbers, or a p-model. (author)

  15. Identified hadron spectra from PHOBOS

    Science.gov (United States)

    Veres, Gábor I.; the PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Harrington, A. S.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Khan, N.; Kulinich, P.; Kuo, C. M.; Lee, J. W.; Lin, W. T.; Manly, S.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Roland, C.; Roland, G.; Sagerer, J.; Sarin, P.; Sedykh, I.; Skulski, W.; Smith, C. E.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wolfs, F. L. H.; Wosiek, B.; Wozniak, K.; Wysłouch, B.; Zhang, J.

    2004-08-01

    Transverse momentum spectra of pions, kaons and protons, as well as antiparticle to particle ratios near mid-rapidity from d+Au collisions at \\sqrt{sNN} = 200 GeV have been measured by the PHOBOS experiment at RHIC. The transverse momentum range of particle identification was extended to beyond 3 GeV/c using the TOF detector and a new trigger system. The pseudorapidity dependence of the nuclear modification factor for charged hadrons in d+Au collisions is presented.

  16. Operator functions and localization of spectra

    CERN Document Server

    Gil’, Michael I

    2003-01-01

    "Operator Functions and Localization of Spectra" is the first book that presents a systematic exposition of bounds for the spectra of various linear nonself-adjoint operators in a Hilbert space, having discrete and continuous spectra. In particular bounds for the spectra of integral, differential and integro-differential operators, as well as finite and infinite matrices are established. The volume also presents a systematic exposition of estimates for norms of operator-valued functions and their applications.

  17. Symposium on atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    1979-01-01

    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)

  18. Symposium on atomic spectroscopy

    International Nuclear Information System (INIS)

    1979-01-01

    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

  19. Electronic structure and UV spectra of N-arylthio-1,4-benzoquinone imines

    International Nuclear Information System (INIS)

    Pirozhenko, V.V.; Boldeskul, I.E.; Kolesnikov, V.T.; Vid, L.V.; Kuz'menko, L.O.

    1986-01-01

    The electronic structure of N-arylthio-1,4-benzoquinone imines (II) was studied by quantum-chemical methods (CNDO/2). It was shown that the special characteristics of the reactivity of the compounds in reaction with chlorine compared with sulfenylketimines R 2 C=N-S-Ar not containing a quinonoid ring may be due to the different nature of the lowest unoccupied molecular orbitals (LUMO). The UV spectra of compounds (II) were investigated. In the visible region the spectra of all the compounds contain strong absorption (R 1 = R 2 = R 3 = R 4 = R 5 = H, λ/sub m/ = 433 nm, epsilon/sub m/ = 2.12 x 10 4 liters/mole x cm), due to intramolecular charge transfer from the sulfur atom to the quinonoid fragment of the molecule. It was established that there is a linear relation between the energy of the transition and the σ + constants of the substituents in the aryl fragment. The assignment of the transitions was confirmed by calculations of the UV spectra of N-arylthio-1,4-benzoquinone imines by the PPP method. Comparison of the UV spectra of these compounds with the UV spectra of N-arylsulfonyl-1,4-benzoquinone imines makes it possible to conclude that the sulfur atom of the SO 2 group, unlike the divalent sulfur atom, is not capable of transmitting the electronic effects of the substituents from one part of the molecule to the other

  20. 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

    2017-01-01

    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...

  1. X-ray spectra from the Cornell Electron-Beam Ion Source (CEBIS I)

    International Nuclear Information System (INIS)

    Johnson, B.M.; Jones, K.W.; Kostroun, V.O.; Ghanbari, E.; Janson, S.W.

    1985-01-01

    Radiation emitted from the Cornell electron beam ion source (CEBIS I) has been surveyed with a Si(Li) x-ray detector. These spectra can be used to estimate backgrounds from electron bremsstrahlung and to evaluate the feasibility of atomic physics experiments using the CEBIS I source in this configuration. 1 ref., 2 figs

  2. Database-Driven Analyses of Astronomical Spectra

    Science.gov (United States)

    Cami, Jan

    2012-03-01

    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

  3. Character of the intense 4d. -->. f resonances in atomic La and Tm

    Energy Technology Data Exchange (ETDEWEB)

    Radtke, E R [Bonn Univ. (Germany, F.R.). Physikalisches Inst.

    1979-02-14

    Observations of the 4 d absorption spectra of atomic La and Tm are reported. It is shown that the RPAE predictions for the 4d..-->.. epsilonf cross section in La I are currently closest to experiment. In Tm I a quite sharp autoionising resonance is observed. The differences between the two spectra are discussed with reference to ab initio calculations.

  4. On the character of the intense 4d → f resonances in atomic La and Tm

    International Nuclear Information System (INIS)

    Radtke, E.R.

    1979-01-01

    Observations of the 4 d absorption spectra of atomic La and Tm are reported. It is shown that the RPAE predictions for the 4d→ epsilonf cross section in La I are currently closest to experiment. In Tm I a quite sharp autoionising resonance is observed. The differences between the two spectra are discussed with reference to ab initio calculations. (author)

  5. Atomic and molecular databases in the context of virtual observatories

    International Nuclear Information System (INIS)

    Dubernet, Marie-Lise; Roueff, Evelyne

    2006-01-01

    Numerical and bibliographic Databases in Atomic and Molecular Physics are essential for both the modelling of various astrophysical media and the interpretation of astrophysical spectra provided by ground or space-based telescopes. We report here on our current project concerning the access to Atomic and Molecular Databases within the Virtual Observatories. This presentation aims at informing people about interoperability matters, in order to put together the efforts which have already started in this domain, to evaluate the needs and requirements of the targeted interrelation between atomic and molecular data bases and VO projects. Collaborations in this domain are welcome. (author)

  6. Status and problems of multiply ionized atom spectroscopy

    International Nuclear Information System (INIS)

    Kononov, Eh.Ya.; Ryabtsev, A.N.

    1984-01-01

    Principal directions of investigations associated with identification of spectral lines and with determination of energy structure of high multiplicity ions are analyzed. The considered part of atomic spectroscopy is developed both in the direction of obtaining high multiplicity ion spectra and interpretation of spectral details associated with excitation conditions and in the direction of detailed study on compound energy structures of electron shells. Spectroscopy with fast ion beams is widely developed. Accumulated atomic data, developed methods of atomic calculations and improvement of observation technique permit to realize complex spectroscopic diagnostics in astrophysics and hot plasma physics

  7. Machine learning molecular dynamics for the simulation of infrared spectra.

    Science.gov (United States)

    Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

    2017-10-01

    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.

  8. 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: manoelvasconcelos@yahoo.com.br [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)

    2012-07-15

    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.

  9. Raman spectra of SDW superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C. [Condensed Matter Physics Group, Department of Physics, Government Science College, Chatrapur, Orissa 761 020 (India)]. E-mail: gcr@iopb.res.in; Bishoyi, K.C. [P.G. Department of Physics, F.M. College (Autonomous), Balasore, Orissa 756 001 (India); Behera, S.N. [Institute of Physics, Bhubaneswar 751 005 (India)

    2005-03-15

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations.

  10. Raman spectra of SDW superconductors

    International Nuclear Information System (INIS)

    Rout, G.C.; Bishoyi, K.C.; Behera, S.N.

    2005-01-01

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations

  11. Neutron and gamma dose and spectra measurements on the Little Boy replica

    International Nuclear Information System (INIS)

    Hoots, S.; Wadsworth, D.

    1984-01-01

    The radiation-measurement team of the Weapons Engineering Division at Lawrence Livermore National Laboratory (LLNL) measured neutron and gamma dose and spectra on the Little Boy replica at Los Alamos National Laboratory (LANL) in April 1983. This assembly is a replica of the gun-type atomic bomb exploded over Hiroshima in 1945. These measurements support the National Academy of Sciences Program to reassess the radiation doses due to atomic bomb explosions in Japan. Specifically, the following types of information were important: neutron spectra as a function of geometry, gamma to neutron dose ratios out to 1.5 km, and neutron attenuation in the atmosphere. We measured neutron and gamma dose/fission from close-in to a kilometer out, and neutron and gamma spectra at 90 and 30 0 close-in. This paper describes these measurements and the results. 12 references, 13 figures, 5 tables

  12. Calculation of quantum-mechanical system energy spectra using path integrals

    International Nuclear Information System (INIS)

    Evseev, A.M.; Dmitriev, V.P.

    1977-01-01

    A solution of the Feynman quantum-mechanical integral connecting a wave function (psi (x, t)) at a moment t+tau (tau → 0) with the wave function at the moment t is provided by complex variable substitution and subsequent path integration. Time dependence of the wave function is calculated by the Monte Carlo method. The Fourier inverse transformation of the wave function by path integration calculated has been applied to determine the energy spectra. Energy spectra are presented of a hydrogen atom derived from wave function psi (x, t) at different x, as well as boson energy spectra of He, Li, and Be atoms obtained from psi (x, t) at X = O

  13. Laser Spectroscopy of Antiprotonic Helium Atoms

    CERN Multimedia

    2002-01-01

    %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...

  14. RESONANCE CARS IN BR2 MOLECULES AND BR-ATOMS

    NARCIS (Netherlands)

    Aben, I.; Levelt, P.; Ubachs, W.M.G.; Hogervorst, W.

    1991-01-01

    Resonance-enhanced CARS processes were studied in molecular bromine. On the basis of the known spectroscopic constants of the two electronic states involved, the features in the spectra could be identified. CARS signals from Br-atoms produced from dissociation of Br2 were obtained by tuning (omega-1

  15. Radial Matrix Elements of Hydrogen Atom and the Correspondence ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Hydrogen excited states—radial matrix element—corres- ... atoms, its availability, production, its spectras, and importance in astrophysics (Dupree ... far away revolving lazily around in a slow orbit like a distant planet in the solar system. As the electron orbit diameter grows rapidly, its energy also decreases rapidly. Currently ...

  16. Bringing atomic and nuclear physics laboratory data into the classroom

    International Nuclear Information System (INIS)

    Norman, Eric B.; Larimer, Ruth-Mary; Rech, Gregory; Lee, Jeffrey; Vue, Chue; Leubane, Tholoana; Zamvil, Kenneth; Guthrie, Laura

    2003-01-01

    To illustrate a number of basic concepts in atomic and nuclear physics, we have developed three websites where students can analyze data from modern laboratories. By working through the on-line procedures, students will become acquainted with characteristic x-ray spectra, the concept of half-life, x-ray fluorescence, and neutron activation analysis

  17. Fast atom bombardment mass spectrometry of condensed tannin sulfonate derivatives

    Science.gov (United States)

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

    1989-01-01

    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...

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

    International Nuclear Information System (INIS)

    Lovejoy, T. C.; Dellby, N.; Krivanek, O. L.; Ramasse, Q. M.; Falke, M.; Kaeppel, A.; Terborg, R.; Zan, R.

    2012-01-01

    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.

  19. Atomic collisions research with excited atomic species

    International Nuclear Information System (INIS)

    Hoogerland, M.D.; Gulley, R.J.; Colla, M.; Lu, W.; Milic, D.; Baldwin, K.G.H.; Buckman, S.J.

    1999-01-01

    Measurements and calculations of fundamental atomic collision and spectroscopic properties such as collision cross sections, reaction rates, transition probabilities etc. underpin the understanding and operation of many plasma and gas-discharge-based devices and phenomena, for example plasma processing and deposition. In almost all cases the complex series of reactions which sustains the discharge or plasma, or produces the reactive species of interest, has a precursor electron impact excitation, attachment, dissociation or ionisation event. These processes have been extensively studied in a wide range of atomic and molecular species and an impressive data base of collision cross sections and reaction rates now exists. However, most of these measurements are for collisions with stable atomic or molecular species which are initially in their ground electronic state. Relatively little information is available for scattering from excited states or for scattering from unstable molecular radicals. Examples of such species would be metastable excited rare gases, which are often used as buffer gases, or CF 2 radicals formed by electron impact dissociation in a CF 4 plasma processing discharge. We are interested in developing experimental techniques which will enable the quantitative study of such exotic atomic and molecular species. In this talk I would like to outline one such facility which is being used for studies of collisions with metastable He(2 3 S) atoms

  20. Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra

    Science.gov (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.

    2017-02-01

    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.

  1. Magnetism in Pd: Magnetoconductance and transport spectroscopy of atomic contacts

    Science.gov (United States)

    Strigl, F.; Keller, M.; Weber, D.; Pietsch, T.; Scheer, E.

    2016-10-01

    Since the rapid technological progress demands for ever smaller storage units, the emergence of stable magnetic order in nanomaterials down to the single-atom regime has attracted huge scientific attention to date. Electronic transport spectroscopy has been proven to be a versatile tool for the investigation of electronic, magnetic, and mechanical properties of atomic contacts. Here we report a comprehensive experimental study of the magnetoconductance and electronic properties of Pd atomic contacts at low temperature. The analysis of electronic transport (d I /d V ) spectra and the magnetoconductance curves yields a diverse behavior of Pd single-atom contacts, which is attributed to different contact configurations. The magnetoconductance shows a nonmonotonous but mostly continuous behavior, comparable to those found in atomic contacts of band ferromagnets. In the d I /d V spectra, frequently, a pronounced zero-bias anomaly (ZBA) as well as an aperiodic and nonsymmetric fluctuation pattern are observed. While the ZBA can be interpreted as a sign of the Kondo effect, suggesting the presence of magnetic impurity, the fluctuations are evaluated in the framework of conductance fluctuations in relation to the magnetoconductance traces and to previous findings in Au atomic contacts. This thorough analysis reveals that the magnetoconductance and transport spectrum of Au atomic contacts can completely be accounted for by conductance fluctuations, while in Pd contacts the presence of local magnetic order is required.

  2. Atomic and molecular sciences

    International Nuclear Information System (INIS)

    Lane, N.F.

    1989-01-01

    The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics

  3. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

    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. Scikit-spectra: Explorative Spectroscopy in Python

    Directory of Open Access Journals (Sweden)

    Adam Hughes

    2015-06-01

    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: http://hugadams.github.io/scikit-spectra/

  5. An RGB approach to extraordinary spectra

    Science.gov (United States)

    Grusche, Sascha; Theilmann, Florian

    2015-09-01

    After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

  6. Metal atom oxidation laser

    International Nuclear Information System (INIS)

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-01-01

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides

  7. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    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.

  8. Economical Atomic Layer Deposition

    Science.gov (United States)

    Wyman, Richard; Davis, Robert; Linford, Matthew

    2010-10-01

    Atomic Layer Deposition is a self limiting deposition process that can produce films at a user specified height. At BYU we have designed a low cost and automated atomic layer deposition system. We have used the system to deposit silicon dioxide at room temperature using silicon tetrachloride and tetramethyl orthosilicate. Basics of atomic layer deposition, the system set up, automation techniques and our system's characterization are discussed.

  9. Atomic physics made clear

    International Nuclear Information System (INIS)

    Meinhold, H.

    1980-01-01

    This book is a popular introduction into the foundations of atomic physics und quantum mechanics. Starting from some phenomenological concepts Bohr's model and the construction of the periodic system regarding the shell structure of atoms are introduced. In this framework the selection rules and magnetic moments of atomic electrons are considered. Finally the wave-particle dualism is considered. In the appendix some mathematical methods are described which are useful for a deeper penetration into the considered ideas. (HSI)

  10. ANTICOOL: Simulating positron cooling and annihilation in atomic gases

    Science.gov (United States)

    Green, D. G.

    2018-03-01

    The Fortran program ANTICOOL, developed to simulate positron cooling and annihilation in atomic gases for positron energies below the positronium-formation threshold, is presented. Given positron-atom elastic scattering phase shifts, normalised annihilation rates Zeff, and γ spectra as a function of momentum k, ANTICOOL enables the calculation of the positron momentum distribution f(k , t) as a function of time t, the time-varying normalised annihilation rate Z¯eff(t) , the lifetime spectrum and time-varying annihilation γ spectra. The capability and functionality of the program is demonstrated via a tutorial-style example for positron cooling and annihilation in room temperature helium gas, using accurate scattering and annihilation cross sections and γ spectra calculated using many-body theory as input.

  11. Different spectra with the same neutron source

    International Nuclear Information System (INIS)

    Vega C, H. R.; Ortiz R, J. M.; Hernandez D, V. M.; Martinez B, M. R.; Hernandez A, B.; Ortiz H, A. A.; Mercado, G. A.

    2010-01-01

    Using as source term the spectrum of a 239 Pu-Be source several neutron spectra have been calculated using Monte Carlo methods. The source term was located in the centre of spherical moderators made of light water, heavy water and polyethylene of different diameters. Also a 239 Pu-Be source was used to measure its neutron spectrum, bare and moderated by water. The neutron spectra were measured at 100 cm with a Bonner spheres spectrometer. Monte Carlo calculations were used to calculate the neutron spectra of bare and water-moderated spectra that were compared with those measured with the spectrometer. Resulting spectra are similar to those found in power plants with PWR, BWR and Candu nuclear reactors. Beside the spectra the dosimetric features were determined. Using moderators and a single neutron source can be produced neutron spectra alike those found in workplaces, this neutron fields can be utilized to calibrate neutron dosimeters and area monitors. (Author)

  12. ATOMIC CARBON IN THE UPPER ATMOSPHERE OF TITAN

    International Nuclear Information System (INIS)

    Zhang, X.; Yung, Y. L.; Ajello, J. M.

    2010-01-01

    The atomic carbon emission C I line feature at 1657 A ( 3 P 0 J - 3 P J ) in the upper atmosphere of Titan is first identified from the airglow spectra obtained by the Cassini Ultra-violet Imaging Spectrograph. A one-dimensional photochemical model of Titan is used to study the photochemistry of atomic carbon on Titan. Reaction between CH and atomic hydrogen is the major source of atomic carbon, and reactions with hydrocarbons (C 2 H 2 and C 2 H 4 ) are the most important loss processes. Resonance scattering of sunlight by atomic carbon is the dominant emission mechanism. The emission intensity calculations based on model results show good agreement with the observations.

  13. Report on atomic structure research 1961-1990

    International Nuclear Information System (INIS)

    Fawcett, B.C.

    1990-07-01

    This report documents the atomic-structure research carried out during the period 1961-90. The contributions are in two main areas. The first comprises original line classifications of spectra of highly ionized atoms including identifications of a major proportion of newly observed lines in the solar far ultraviolet and soft X-ray spectrum. The second consists of theoretical calculations of atomic data such as oscillator strengths, wavelengths, energy levels and their composition. These were calculated with advanced atomic-structure codes and cover most solar abundant ions. A new method was applied to collision calculations. Research in this field, presently conducted at Rutherford Appleton Laboratory (RAL), was initiated in the United Kingdom Atomic Energy Authority (UKAEA) at Harwell in 1960. It continued under the UKAEA at Culham Laboratory in 1962 and until 1986 when staff were taken over by Science and Engineering Research Council (SERC) and later transferred to RAL in 1981. (author)

  14. Deeply bound pionic atom

    International Nuclear Information System (INIS)

    Toki, Hiroshi; Yamazaki, Toshimitsu

    1989-01-01

    The standard method of pionic atom formation does not produce deeply bound pionic atoms. A study is made on the properties of deeply bound pionic atom states by using the standard pion-nucleus optical potential. Another study is made to estimate the cross sections of the formation of ls pionic atom states by various methods. The pion-nucleus optical potential is determined by weakly bound pionic atom states and pion nucleus scattering. Although this potential may not be valid for deeply bound pionic atoms, it should provide some hint on binding energies and level widths of deeply bound states. The width of the ls state comes out to be 0.3 MeV and is well separated from the rest. The charge dependence of the ls state is investigated. The binding energies and the widths increase linearly with Z azbove a Z of 30. The report then discusses various methods to populate deeply bound pionic atoms. In particular, 'pion exchange' reactions are proposed. (n, pπ) reaction is discussed first. The cross section is calculated by assuming the in- and out-going nucleons on-shell and the produced pion in (n1) pionic atom states. Then, (n, dπ - ) cross sections are estimated. (p, 2 Heπ - ) reaction would have cross sections similar to the cross section of (n, dπ - ) reaction. In conclusion, it seems best to do (n, p) experiment on heavy nuclei for deeply bound pionic atom. (Nogami, K.)

  15. Single atom oscillations

    International Nuclear Information System (INIS)

    Wiorkowski, P.; Walther, H.

    1990-01-01

    Modern methods of laser spectroscopy allow the study of single atoms or ions in an unperturbed environment. This has opened up interesting new experiments, among them the detailed study of radiation-atom coupling. In this paper, the following two experiments dealing with this problem are reviewed: the single-atom maser and the study of the resonance fluorescence of a single stored ion. The simplest and most fundamental system for studying radiation-matter coupling is a single two-level atom interacting with a single mode of an electromagnetic field in a cavity. This problem received a great deal of attention shortly after the maser was invented

  16. Atomic hydrogen reactor

    International Nuclear Information System (INIS)

    Massip de Turville, C.M.D.

    1982-01-01

    Methods are discussed of generating heat in an atomic hydrogen reactor which involve; the production of atomic hydrogen by an electrical discharge, the capture of nascent neutrons from atomic hydrogen in a number of surrounding steel alloy tubes having a high manganese content to produce 56 Mn, the irradiation of atomic hydrogen by the high energy antineutrinos from the beta decay of 56 Mn to yield nascent neutrons, and the removal of the heat generated by the capture of nascent neutrons by 55 Mn and the beta decay of 56 Mn. (U.K.)

  17. International bulletin on atomic and molecular data for fusion. No. 39

    International Nuclear Information System (INIS)

    Smith, J.J.

    1989-07-01

    The Bulletin provides information on atomic and molecular data relevant for fusion research. In part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (514 references). An author index is included

  18. International bulletin on atomic and molecular data for fusion. No. 40

    International Nuclear Information System (INIS)

    Smith, J.J.

    1990-03-01

    Indexed papers relating to structure and spectra, atomic and molecular collisions, and surface interactions relevant to nuclear fusion are given. Included is the bibliography for all indexed papers. In addition, a list of evaluated numerical atomic databases stored in the IAEA data bank is given

  19. International bulletin on atomic and molecular data for fusion. No. 35

    International Nuclear Information System (INIS)

    Smith, J.J.

    1987-05-01

    The bulletin provides information on atomic and molecular data for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface effects. Part II contains all the bibliographic data for both indexed and non-indexed references (536 references). An author index is included

  20. International Bulletin on Atomic and Molecular Data for Fusion. No. 36

    International Nuclear Information System (INIS)

    Smith, J.J.

    1987-10-01

    The bulletin provides information on atomic and molecular data relevant for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (555 references). An author index is included

  1. International bulletin on atomic and molecular data for fusion. No. 38

    International Nuclear Information System (INIS)

    Smith, J.J.

    1989-01-01

    The Bulletin provides information on atomic and molecular data relevant for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (654 references). An author index is included

  2. Schottky spectra and crystalline beams

    International Nuclear Information System (INIS)

    Pestrikov, D.V.

    1996-01-01

    In this paper we revise the current dependence of the Schottky noise power of a cooled proton beam previously measured at NAP-M. More careful study of experimental data indicates a linear decrease in the inverse Schottky noise power with an increase in the beam intensity (N). The root of this function determines a threshold current which occurs at N = N th ≅1.2 x 10 8 particles. The inspection of measured Schottky spectra shows that this threshold does not correspond to some collective instability of the measured harmonic of the linear beam density. The found value of N th does not depend on the longitudinal beam temperature. For the case of NAP-M lattice, the study of the spectral properties of the Schottky noise in the crystalline string predicts the current dependence of the equilibrium momentum spread of the beam, which qualitatively agrees with that, recalculated from the NAP-M data. (orig.)

  3. Fractal analysis of power spectra

    International Nuclear Information System (INIS)

    Johnston, S.

    1982-01-01

    A general argument is presented concerning the Hausdorff dimension D of the power spectrum curve for a system of N weakly-coupled oscillators. Explicit upper and lower bounds for D are derived in terms of the number N of interacting modes. The mathematical reasoning relies upon the celebrated KAM theorem concerning the perturbation of Hamiltonian systems and the finite measure of the set of destroyed tori in phase space; this set can be related to Hausdorff dimension by certain mathematical theorems. An important consequence of these results is a simple empirical test for the applicability of Hamiltonian perturbation theory in the analysis of an experimentally observed spectrum. As an illustration, the theory is applied to the interpretation of a recent numerical analysis of both the power spectrum of the Sun and certain laboratory spectra of hydrodynamic turbulence. (Auth.)

  4. Spectra processing with computer graphics

    International Nuclear Information System (INIS)

    Kruse, H.

    1979-01-01

    A program of processng gamma-ray spectra in rock analysis is described. The peak search was performed by applying a cross-correlation function. The experimental data were approximated by an analytical function represented by the sum of a polynomial and a multiple peak function. The latter is Gaussian, joined with the low-energy side by an exponential. A modified Gauss-Newton algorithm is applied for the purpose of fitting the data to the function. The processing of the values derived from a lunar sample demonstrates the effect of different choices of polynomial orders for approximating the background for various fitting intervals. Observations on applications of interactive graphics are presented. 3 figures, 1 table

  5. Atom dynamics in laser fields

    International Nuclear Information System (INIS)

    Jang, Su; Mi, No Gin

    2004-12-01

    This book introduces coherent dynamics of internal state, spread of atoms wave speed, semiclassical atoms density matrix such as dynamics equation in both still and moving atoms, excitation of atoms in movement by light, dipole radiating power, quantum statistical mechanics by atoms in movement, semiclassical atoms in movement, atoms in movement in the uniform magnetic field including effects of uniform magnetic field, atom cooling using laser such as Doppler cooling, atom traps using laser and mirrors, radiant heat which particles receive, and near field interactions among atoms in laser light.

  6. Theoretical studies of atomic and quasiatomic excitations by electron and ion impact

    International Nuclear Information System (INIS)

    Kam, K.F.

    1999-09-01

    Electron emission from ion induced excitations of Ca, Sc, Ti and V metal surfaces and from electron impact on transition metal oxides CoO and TiO 2 has been studied in this thesis. Both the autoionising emission from sputtered atoms and the 3p→3d and 3s→3d excitations in the oxides reveal strong atomic features. The work has involved explaining these spectra in an atomic approach, via the use of atomic structure calculations, cross section studies and empirical/semi-empirical analyses. The other aspect of this work involves extension of current theories of electron-atom scattering in the high electron energy impact regime. Overall it is shown that much can be learned about some solid-state spectra by relating them to atomic phenomena. (author)

  7. Atomic Data for Stellar Astrophysics: from the UV to the IR

    Science.gov (United States)

    Wahlgren, Glenn M.

    2011-01-01

    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.

  8. Study of the EPR and Moessbauer spectra of iron phosphites

    International Nuclear Information System (INIS)

    Ebert, M.; Kavan, L.

    1978-01-01

    The EPR and Moessbauer spectra of polycrystalline samples of ferrous phosphites FeHPO 3 .3H 2 O, FeH 2 P 2 O 5 , FeH 4 P 2 O 6 .1/2H 2 O, FeH 10 P 4 O 12 .4H 2 O and ferric phosphites Fe 2 (HPO 3 ) 3 .9h 2 O, FeH 3 P 2 O 6 .3H 2 O and Fe 4 H 33 P 15 O 45 .6H 2 O were studied. The hydrogen bonds present in hydrogen phosphite anions (polyorthophosphites) produce a decrease in the electron density on the oxygen atom in the anion and thus also a decrease in the crystal field strength with an increasing P/Fe ratio. These changes are reflected not only in the Dq values but also in the g-factors, Moessbauer isomeric shifts and quadropole splitting values. The Moessbauer spectra were measured at laboratory temperature with a Co-57/Pd source (the time for measuring one sample was about 24 hrs) and evaluated on a Hewlett-Packard computer. The EPR spectra of the polycristalline samples were measured at laboratory temperature in the 3 cm region. (T.I.)

  9. Modeling of XANES-spectra with the FEFF-program

    Energy Technology Data Exchange (ETDEWEB)

    Bosman, E; Thieme, J, E-mail: e.bosman@gmx.d, E-mail: jthieme@gwdg.d [Institute for X-Ray Physics, Georg-August-University Gottingen, Friedrich-Hund-Platz 1, 37077 Gottingen (Germany)

    2009-09-01

    The aim of this project is the calculation of the absorption coefficient {mu} of x-ray absorption spectra as a function of energy and a comparison with experimental data. A characteristic fine structure can be found in x-ray absorption spectra (XAS) consisting of the XANES (X-Ray Absorption Near Edge Structure) and the EXAFS (Extended X-Ray Absorption Fine Structure) region. XANES is characterized by multiple scattering and provides information about coordination chemistry and bonding angles of the irradiated sample. The program FEFF 8.4 was used for the calculations of the absorption K-edge spectra. FEFF was generated for ab initio multiple scattering calculations of X-ray Absorption Fine Structure (XAFS) of atom-clusters. The code yields scattering amplitudes, phases and other quantities. We computed {mu} at the K-edge of several elements like Ti, S and Fe. For this purpose, clusters of Na{sub 2}SO{sub 4}, Ba{sub 2}TiO{sub 4}, FeS{sub 2}, CaSO{sub 2} 2(H {sub 2}O) were used, working with several space groups. Some of the calculations are consistent with the results of the experiments, but others show energy shifts in the range of some eV. In summary, the FEFF calculations and the experimental data exhibit similarities as well as deviations. By using trimming parameters, deviations could be eliminated to a certain extent, which will be presented.

  10. A simple theory of LET spectra of heavy ion beams

    International Nuclear Information System (INIS)

    Wilson, J.W.; Townsend, L.W.; Schimmerling, W.; Norbury, J.W.; Wong, M.; Badavi, F.

    1985-01-01

    The transition of high energy ion beams through extended matter is of considerable interest to the space program as well as radiobiology and medical therapy. The transition is defined in terms of various atomic/molecular and nuclear cross sections in a Boltzmann-like equation. One dimensional solutions are derived herein from which LET spectra are derived for secondary fragments. Such LET spectra are fundamental to the evaluation of beam quality, biological effects, and radiation shield effectiveness. Sensitivity of LET spectral distributions to uncertainty in physical parameters such as the isotopic fragmentation parameters, fragment mass, and absorption cross section is established for a number of ion beams. The main limitation in LET studies is the paucity of both elemental and isotopic fragmentation data. The elemental fragmentation data is more readily available because of its simple experimental procedures. It has been suggested by some that natural abundance ratios should be used with the elemental cross sections but this leads to an order-of-magnitude error in LET spectra in many cases. Very few examples of isotopic fragmentation measurements are available. Although major advances in nuclear fragmentation theory have been made, we must await more extensive isotopic fragmentation experiments for final validation

  11. Atoms stories; Histoire d`atomes

    Energy Technology Data Exchange (ETDEWEB)

    Radvanyi, P; Bordry, M [Centre National de la Recherche Scientifique (CNRS), 75 - Paris (France)

    1988-12-31

    Physicists from different countries told each evening during one learning week, to an audience of young people, some great discoveries in evoking the difficulties and problems to which the researchers were confronted. From Antiquity to a more recent history, it is a succession of atoms stories. (N.C.)

  12. Low energy atom-atom collisions

    International Nuclear Information System (INIS)

    Child, M.S.

    1980-01-01

    The semiclassical theory of atom-atom potential scattering and of low energy inelastic atom-atom scattering is reviewed. Particular attention is given to the origin and interpretation of rainbow structure, diffraction oscillations and exchange oscillations in the potential scattering differential cross-section, and to the glory structure and symmetry oscillations in the integral cross-section. Available methods for direct inversion of the cross-section data to recover the potential are reviewed in some detail. The theory of non-adiabatic transitions is introduced by a short discussion of interaction mechanisms and of diabetic and adiabatic representations. Analytical S matrix elements are presented for two state curve-crossing (Landau-Zener-Stuckelberg), Demkov and Nikitin models. The relation between Stuckelberg oscillations in the S matrix and in the differential cross-section is discussed in terms of interference between trajectories belonging to two different classical deflection functions. The energy dependences of the inelastic integral cross-section for curve-crossing and Demkov type transitions are also discussed. Finally the theory is reviewed in relation to a recent close-coupled study of fine structure transitions in F( 2 P) + Xe( 2 S) scattering

  13. International bulletin on atomic and molecular data for fusion. No. 59

    International Nuclear Information System (INIS)

    Stephens, J.A.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

    2001-03-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  14. International bulletin on atomic and molecular data for fusion. No. 58

    International Nuclear Information System (INIS)

    Stephens, J.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

    2000-06-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  15. International bulletin on atomic and molecular data for fusion. No. 47

    International Nuclear Information System (INIS)

    Botero, J.

    1993-12-01

    This bulletin, published by the IAEA, provides atomic and molecular data references relevant to fusion research and technology. In part I the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part II contains the bibliographic data for the above-listed topics and for high-energy laser and beam-matter interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data INterface) and evaluated data bases

  16. EPR spectra of synthetic, and natural Australian opals - A pilot study

    International Nuclear Information System (INIS)

    Hutton, D.R.; Troup, G.J.

    1996-01-01

    Full text: The EPR spectra of some synthetic opals, and of some Australian natural opals of various provenance, have been obtained, with the use of a Varian E-12 EPR spectrometer operating at ∼9.2 Ghz. The synthetic opals, from Swiss Gilson showed here a broad ESR signal in the g =2 region, with little identifiable structure . The natural Australian opals from Coober Pedy, Lightning Ridge, and Mintabie all showed the clear presence of Fe 3+ , Mn 2+ and a free radical like signal, suspected to be localised on an Al atom. Examples of the various spectra will be presented. It is not yet certain how the spectra correlate with provenance, but the synthetic spectra are quite different from the natural ones

  17. ANA - a program for evaluation of gamma spectra from environmental samples

    International Nuclear Information System (INIS)

    Mishev, P.

    1993-01-01

    The program aims at for evaluation of gamma spectra, collected in different multichannel analyzers. It provides file format conversion from most popular file spectra formats. The program includes: spectra visualization; energy and shape calibration; efficiency calibration; automatic peak search; resolving of multiplets and peak calculations, based on program KATOK; isotope library; isotope identification and activity calculations. Three types of efficiency calibrations are possible: spline approximation; two branches logarithmic approximation; and polynomial approximation based on orthonormal polynomials. The suggestions of the International Atomic Energy Agency were taken into account in development of the algorithms. The program allows batch spectra processing appropriate for routine tasks and user controlled evaluations. Calculations of lower detection limits of some user defined isotopes are also possible. The program calculates precisely the statistical uncertainties of the final results. The error sources taken into account are: standard source activity errors, efficiency approximation errors and current measurement errors. (author)

  18. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    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. Atomic Energy Control Board

    International Nuclear Information System (INIS)

    Blackman, N.S.; Gummer, W.K.

    1982-02-01

    This paper has been prepared to provide an overview of the responsibilities and activities of the Atomic Energy Control Board. It is designed to address questions that are often asked concerning the establishment of the Atomic Energy Control Board, its enabling legislation, licensing and compliance activities, federal-provincial relationships, international obligations, and communications with the public

  20. mu. -nucleon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Dobretsov, Yu; Dolgoshein, B; Kirillov-Ugryumov, V

    1980-12-01

    The properties and formation are described of ..mu..-nucleon atoms, the Larmor method of muon spin precession is discussed and the experimental confirmation of the existence of ..mu..-nucleon atoms is shown. The prospects of their use are indicated.

  1. μ-nucleon atoms

    International Nuclear Information System (INIS)

    Dobretsov, Yu.; Dolgoshejn, B.; Kirillov-Ugryumov, V.

    1980-01-01

    The properties and formation are described of μ-nucleon atoms, the Larmor method of muon spin precession is discussed and the experimental confirmation of the existence of μ-nucleon atoms is shown. The prospects of their use are indicated. (J.P.)

  2. Atomic Ferris wheel beams

    Science.gov (United States)

    Lembessis, Vasileios E.

    2017-07-01

    We study the generation of atom vortex beams in the case where a Bose-Einstein condensate, released from a trap and moving in free space, is diffracted from a properly tailored light mask with a spiral transverse profile. We show how such a diffraction scheme could lead to the production of an atomic Ferris wheel beam.

  3. Atom lithography of Fe

    NARCIS (Netherlands)

    Sligte, te E.; Smeets, B.; van der Stam, K.M.R.; Herfst, R.W.; Straten, van der P.; Beijerinck, H.C.W.; Leeuwen, van K.A.H.

    2004-01-01

    Direct write atom lithography is a technique in which nearly resonant light is used to pattern an atom beam. Nanostructures are formed when the patterned beam falls onto a substrate. We have applied this lithography scheme to a ferromagnetic element, using a 372 nm laser light standing wave to

  4. Beyond the Atom

    Science.gov (United States)

    Cox, John

    2011-08-01

    1. Introduction - the atom in the seventies; 2. The vacuum tube; 3. The new rays; 4. The new substances; 5. Disintegration; 6. A family tree; 7. Verifications and results; 8. The objective reality of molecules; 9. The new atom; Bibliography; Index.

  5. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    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…

  6. Atom electron scattering

    International Nuclear Information System (INIS)

    Santoso, B.

    1976-01-01

    Green Lippmann-Schwinger functions operator representations, derivation of perturbation method using Green function and atom electron scattering, are discussed. It is concluded that by using complex coordinate places where resonances occur, can be accurately identified. The resonance can be processed further for practical purposes, for example for the separation of atom. (RUW)

  7. Atomic energy for progress

    International Nuclear Information System (INIS)

    1974-01-01

    The film discusses the functions and activities of the Philippine Atomic Energy Commission. Shown are the applications of atomic energy in research, agriculture, engineering, industry and medicine, as well as the construction of the research reactor and its inauguration by President Marcos

  8. Zeeman atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Loos-Vollebregt, M.T.C. de.

    1980-01-01

    A new method of background correction in atomic absorption spectroscopy has recently been introduced, based on the Zeeman splitting of spectral lines in a magnetic field. A theoretical analysis of the background correction capability observed in such instruments is presented. A Zeeman atomic absorption spectrometer utilizing a 50 Hz sine wave modulated magnetic field is described. (Auth.)

  9. Isotopes and atomic weights

    International Nuclear Information System (INIS)

    Zhang Qinglian

    1990-01-01

    A review of the chemical and mass spectrometric methods of determining the atomic weights of elements is presented. A, special discussion is devoted to the calibration of the mass spectrometer with highly enriched isotopes. It is illustrated by the recent work on europium. How to choose the candidate element for new atomic weight determination forms the last section of the article

  10. Electron structure of atoms in laser plasma: The Debye shielding model

    International Nuclear Information System (INIS)

    Sako, Tokuei; Okutsu, Hiroshi; Yamanouchi, Kaoru

    2005-01-01

    The electronic structure and the energy spectra of multielectron atoms in laser plasmas are examined by the Debye shielding model. The effect of the plasma environment on the electrons bound in an atom is taken into account by introducing the screened Coulomb-type potentials into the electronic Hamiltonian of an atom in place of the standard nuclear attraction and electron repulsion potentials. The capabilities of this new Hamiltonian are demonstrated for He and Li in laser plasmas. (author)

  11. Measurement of collisional self broadening of atomic resonance lines in selective reflection experiment

    International Nuclear Information System (INIS)

    Papoyan, A.V.

    1998-01-01

    A method is developed to measure directly the collisional self broadening rate for a dense atomic vapor from selective reflection spectra. Experimental realization for the atomic D 1 and D 2 resonance lines of Rb confirms a validity of the proposed technique. The deflection of experimentally measured values is not more than 20% from theoretically predicted ones in the atomic number density range of 7· 10 16 - 7· 10 17 cm - 3 . 10 refs

  12. International bulletin on atomic and molecular data for fusion. No. 64. October 2005

    International Nuclear Information System (INIS)

    Humbert, D.; Bannister, M.E.; Bretagne, J.; Fuhr, J.

    2005-10-01

    This bulletin comprises updated atomic and molecular data for fusion. It contains four parts. In part one the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part two, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part three contains the bibliographic data for both indexed and and non-indexed references. The author index (part four) refers to the bibliographic references contained in part three

  13. International bulletin on atomic and molecular data for fusion. No. 63

    International Nuclear Information System (INIS)

    Humbert, D.; Bannister, M.E.; Bretagne, J.; Fuhr, J.

    2004-10-01

    This bulletin comprises updated atomic and molecular data for fusion. It contains four parts. In part one the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part two, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part three contains the bibliographic data for both indexed and and non-indexed references. The author index (part four) refers to the bibliographic references contained in part three

  14. International bulletin on atomic and molecular data for fusion. No. 62. August 2003

    International Nuclear Information System (INIS)

    Humbert, D.; Bannister, M.E.; Delcroix, J.L.; Fuhr, J.

    2003-10-01

    This bulletin comprises updated atomic and molecular data for fusion. It contains four parts. In part one the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part two, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part three contains the bibliographic data for both indexed and and non-indexed references. The author index (part four) refers to the bibliographic references contained in part three

  15. International bulletin on atomic and molecular data for fusion. No. 65. July 2006

    International Nuclear Information System (INIS)

    Humbert, D.; Bannister, M.E.; Bretagne, J.; Fuhr, J.

    2006-08-01

    This bulletin comprises updated atomic and molecular data for fusion. It contains four parts. In part one the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part two, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part three contains the bibliographic data for both indexed and and non-indexed references. The author index (part four) refers to the bibliographic references contained in part three

  16. International bulletin on atomic and molecular data for fusion. No. 53

    International Nuclear Information System (INIS)

    Stephens, J.A.

    1997-11-01

    The International Bulletin on Atomic and Molecular Data for Fusion is presented in four parts: 1) The Atomic and Molecular Data Information System (AMDIS) of the IAEA; 2) the indexed papers listed separately for structure and spectra, atomic and molecular collisions, and surface interactions; 3) all bibliographic data for both the indexed and non-indexed references; 4) the Author Index refers to the bibliographic references contained in Part 3

  17. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

    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...

  18. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    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...

  19. Re-evaluation of atomic bomb radiation

    International Nuclear Information System (INIS)

    Okajima, Shunzo

    1984-01-01

    The background and current status of the re-evaluation of atomic bomb (A-bomb) radiation doses are presented. Problems in re-evaluating radiation doses are discussed: spectra of gamma-rays and neutrons emitted in the air, A-bomb structures, and meterological elements should be taken into account. In Japan, in an attempt to estimate A-bomb radiation doses, radioactive residues contained in roof tiles, bricks, rocks, and teeth and shell button of clothes are being actually measured. (Namekawa, K.)

  20. Non-Local Effects in Kaonic Atoms

    International Nuclear Information System (INIS)

    Lutz, M.; Florkowski, W.

    2000-01-01

    Optical potentials with non-local (gradient) terms are used to describe the spectra of kaonic atoms. The strength of the non-local terms is determined from a many-body calculation of the kaon self energy in nuclear matter. We find that the non-local terms are quantitatively important and the results depend strongly on the way the gradient terms are arranged. Phenomenologically successful description is obtained for p-wave like optical potentials. It is suggested that the microscopic form of the non-local interaction terms is obtained systematically by means of a semi-classical expansion of the nucleus structure. (author)

  1. The Atomic Physics of Fe K alpha: Toward Accurate Abundance Diagnostics for Supernova Remnants

    Science.gov (United States)

    Brickhouse, Nancy

    2009-09-01

    We propose to conduct a case study of Fe XVI K alpha emission produced during the transient ionization of a supernova remnant. This study includes critical evaluation of the existing data for electron impact inner-shell ionization and fluorescence yields, including tests conducted using a variety of theoretical atomic physics methods. Standard and newly developed atomic codes will be used. Once error estimates for the atomic data are complete, we will propagate these errors using the APEC code to simulate spectra and determine the overall accuracy of iron abundances determined from X-ray spectra.

  2. Mexican hat curve for hydrogen and antihydrogen-states in natural atom H

    CERN Document Server

    Van Hooydonk, G

    2004-01-01

    Molecular band spectra as well as atomic line spectra reveal a left-right symmetry for atoms (Van Hooydonk, Spectrochim. Acta A, 2000, 56, 2273 and CERN-Ext-2002-041). We now extract a Mexican hat shaped or double well curve from the line spectrum (Lyman ns1/2 singlets) of natural atom H. An H CSB theory and its oscillator contribution (1-0.5pi/n)esp2/nexp2 lead to unprecedented results for antihydrogen physics, ahead of the CERN AD-project on artificial antihydrogen.

  3. Astrophysical interpretation of molecular spectra

    International Nuclear Information System (INIS)

    Scoville, N.Z.

    1984-01-01

    As sensitive, high resolution spectrometers are developed throughout the infrared great progress is anticipated in understanding not only the young-stellar objects but also the active galaxy nuclei so luminous in the far-infrared. In the infrared the variety of atomic and molecular spectroscopic transitions is capable of probing conditions ranging from hot circumstellar HII regions, molecular envelopes, and shock fronts at > 2000 K down to cold, low density interstellar gas at < 10 K. The ability to measure both physical conditions and kinematics aids in the separation of the physical regimes and in the building of a coherent dynamic/evolutionary model. The author briefly reviews the characteristics of some of the observed molecular transitions and theoretical considerations important for understanding their excitation. (Auth.)

  4. Non-local effects in kaonic atoms

    International Nuclear Information System (INIS)

    Lutz, M.; Florkowski, W.

    2000-04-01

    Optical potentials with non-local (gradient) terms are used to describe the spectra of kaonic atoms. The strength of the non-local terms is determined from a many-body calculation of the kaon self-energy in nuclear matter. The optical potentials show strong non-linearities in the nucleon density and sizeable non-local terms. We find that the non-local terms are quantitatively important and the results depend strongly on the way the gradient terms are arranged. Phenomenologically successful fits are obtained for p-wave like optical potentials. It is suggested that the microscopic form of the non-local interaction terms is obtained systematically by means of a semi-classical expansion of the nucleus structure. We conclude that a microscopic description of kaonic atom data requires further detailed studies of the microscopic K - nuclear dynamics. (orig.)

  5. Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

    Science.gov (United States)

    Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

    2018-05-01

    This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

  6. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    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.

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

    International Nuclear Information System (INIS)

    Elizalde D, J.

    1973-01-01

    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 spectra it is obtained the falling on neutron spectra over the film. (Author)

  8. Analysis of extreme ultraviolet spectra from laser produced rhenium plasmas

    Science.gov (United States)

    Wu, Tao; Higashiguchi, Takeshi; Li, Bowen; Suzuki, Yuhei; Arai, Goki; Dinh, Thanh-Hung; Dunne, Padraig; O'Reilly, Fergal; Sokell, Emma; Liu, Luning; O'Sullivan, Gerry

    2015-08-01

    Extreme ultraviolet spectra of highly-charged rhenium ions were observed in the 1-7 nm region using two Nd:YAG lasers with pulse lengths of 150 ps and 10 ns, respectively, operating at a number of laser power densities. The maximum focused peak power density was 2.6 × 1014 W cm-2 for the former and 5.5 × 1012 W cm-2 for the latter. The Cowan suite of atomic structure codes and unresolved transition array (UTA) approach were used to calculate and interpret the emission properties of the different spectra obtained. The results show that n = 4-n = 4 and n = 4-n = 5 UTAs lead to two intense quasi-continuous emission bands in the 4.3-6.3 nm and 1.5-4.3 nm spectral regions. As a result of the different ion stage distributions in the plasmas induced by ps and ns laser irradiation the 1.5-4.3 nm UTA peak moves to shorter wavelength in the ps laser produced plasma spectra. For the ns spectrum, the most populated ion stage during the lifetime of this plasma that could be identified from the n = 4-n = 5 transitions was Re23+ while for the ps plasma the presence of significantly higher stages was demonstrated. For the n = 4-n = 4 4p64dN-4p54dN+1 + 4p64dN-14f transitions, the 4d-4f transitions contribute mainly in the most intense 4.7-5.5 nm region while the 4p-4d subgroup gives rise to a weaker feature in the 4.3-4.7 nm region. A number of previously unidentified spectral features produced by n = 4-n = 5 transitions in the spectra of Re XVI to Re XXXIX are identified.

  9. Emission spectra of photoionized plasmas induced by intense EUV pulses: Experimental and theoretical investigations

    Science.gov (United States)

    Saber, Ismail; Bartnik, Andrzej; Skrzeczanowski, Wojciech; Wachulak, Przemysław; Jarocki, Roman; Fiedorowicz, Henryk

    2017-03-01

    Experimental measurements and numerical modeling of emission spectra in photoionized plasma in the ultraviolet and visible light (UV/Vis) range for noble gases have been investigated. The photoionized plasmas were created using laser-produced plasma (LPP) extreme ultraviolet (EUV) source. The source was based on a gas puff target; irradiated with 10ns/10J/10Hz Nd:YAG laser. The EUV radiation pulses were collected and focused using grazing incidence multifoil EUV collector. The laser pulses were focused on a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Irradiation of gases resulted in a formation of low temperature photoionized plasmas emitting radiation in the UV/Vis spectral range. Atomic photoionized plasmas produced this way consisted of atomic and ionic with various ionization states. The most dominated observed spectral lines originated from radiative transitions in singly charged ions. To assist in a theoretical interpretation of the measured spectra, an atomic code based on Cowan's programs and a collisional-radiative PrismSPECT code have been used to calculate the theoretical spectra. A comparison of the calculated spectral lines with experimentally obtained results is presented. Electron temperature in plasma is estimated using the Boltzmann plot method, by an assumption that a local thermodynamic equilibrium (LTE) condition in the plasma is validated in the first few ionization states. A brief discussion for the measured and computed spectra is given.

  10. Single-atom detection on a chip: from realization to application

    Energy Technology Data Exchange (ETDEWEB)

    Stibor, A; Bender, H; Kuehnhold, S; Fortagh, J; Zimmermann, C; Guenther, A, E-mail: aguenth@pit.physik.uni-tuebingen.d [CQ Center for Collective Quantum Phenomena and their Applications, Eberhard-Karls-Universitaet Tuebingen, Auf der Morgenstelle 14, D-72076 Tuebingen (Germany)

    2010-06-15

    In this paper, we describe the preparation and detection of ultracold atoms on a microchip with single-atom sensitivity. The detection scheme is based on multi-photon ionization of atoms and the subsequent guiding of the generated ions by ion optics to a channel electron multiplier. We resolve single atoms with a detection efficiency above 60%. The detector is suitable for real-time observations of static and dynamic processes in ultracold quantum gases. Although the ionization is destructive, sampling a small subset of the atomic distribution is sufficient for the determination of the desired information. We take full high-resolution spectra of ultracold atoms by ionizing only 5% of the atoms. Using an additional microwave near 6.8 GHz, the detection scheme becomes energy, position and state selective. This can be used for in situ determination of the energy distribution and temperature of atom clouds inside the trap and applied for future correlation measurements.

  11. Reflectance spectra of subarctic lichens

    International Nuclear Information System (INIS)

    Petzold, D.E.; Goward, S.N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the mid latitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 μm, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future. (author)

  12. Energy spectra of quantum rings.

    Science.gov (United States)

    Fuhrer, A; Lüscher, S; Ihn, T; Heinzel, T; Ensslin, K; Wegscheider, W; Bichler, M

    2001-10-25

    Quantum mechanical experiments in ring geometries have long fascinated physicists. Open rings connected to leads, for example, allow the observation of the Aharonov-Bohm effect, one of the best examples of quantum mechanical phase coherence. The phase coherence of electrons travelling through a quantum dot embedded in one arm of an open ring has also been demonstrated. The energy spectra of closed rings have only recently been studied by optical spectroscopy. The prediction that they allow persistent current has been explored in various experiments. Here we report magnetotransport experiments on closed rings in the Coulomb blockade regime. Our experiments show that a microscopic understanding of energy levels, so far limited to few-electron quantum dots, can be extended to a many-electron system. A semiclassical interpretation of our results indicates that electron motion in the rings is governed by regular rather than chaotic motion, an unexplored regime in many-electron quantum dots. This opens a way to experiments where even more complex structures can be investigated at a quantum mechanical level.

  13. Reflectance spectra of subarctic lichens

    Science.gov (United States)

    Petzold, Donald E.; Goward, Samuel N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the midlatitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 microns, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future.

  14. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Harrington, J.P.; Seaton, M.J.; Adams, S.; Lutz, J.H.

    1982-01-01

    A detailed study of NGC 7662 is based on UV results obtained from 15 IUE spectra and on observations of other workers at optical, IR and radio wavelengths. Improved techniques are used to extract IUE data for an extended source. Relative fluxes in the different apertures which have been used are obtained using the brightness contours of Coleman, Reay and Worswick. There is close agreement between the reddening deduced from the ratios He II (lambda 1640)/(lambda 4686) and (radio)/(Hβ) and the nebular continuum emission observed with the IUE large slots agrees closely with that predicted using absolute radio and Hβ fluxes. The fluxes in nebular emission lines observed with the small slots are smaller than expected from brightness distributions; it is concluded that, for an extended source, the small slots have aperture transmission factors of 0.85 for SWP and 0.46 for LWR. The central star is fainter than has been previously supposed (by more than two magnitudes). The blackbody He II Zanstra temperature of 113 000 K is consistent with the UV colour temperature. Previous work on colour temperatures of central stars is discussed critically. Two models are discussed. (author)

  15. Methodology for analyzing weak spectra

    International Nuclear Information System (INIS)

    Yankovich, T.L.; Swainson, I.P.

    2000-02-01

    There is considerable interest in quantifying radionuclide transfer between environmental compartments. However, in many cases, it can be a challenge to detect concentrations of gamma-emitting radionuclides due to their low levels in environmental samples. As a result, it is valuable to develop analytical protocols to ensure consistent analysis of the areas under weak peaks. The current study has focused on testing how reproducibly peak areas and baselines can be determined using two analytical approaches. The first approach, which can be carried out using Maestro software, involves extracting net counts under a curve without fitting a functional form to the peak, whereas the second approach, which is used by most other peak fitting programs, determines net counts from spectra by fitting a Gaussian form to the data. It was found that the second approach produces more consistent peak area and baseline measurements, with the ability to de-convolute multiple, overlapping peaks. In addition, programs, such as Peak Fit, which can be used to fit a form to spectral data, often provide goodness of fit analyses, since the Gaussian form can be described using a characteristic equation against which peak data can be tested for their statistical significance. (author)

  16. Neutron and photon spectra in LINACs

    International Nuclear Information System (INIS)

    Vega-Carrillo, H.R.; Martínez-Ovalle, S.A.; Lallena, A.M.; Mercado, G.A.; Benites-Rengifo, J.L.

    2012-01-01

    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 –6 and 1 MeV. Neutron and the Bremsstrahlung spectra show the same features regardless of the linac voltage. - Highlights: ► With MCNPX code realistic models of two LINACs were built. ► Photon and neutron spectra below the flattening filter and at the isocenter were calculated. ► Neutron spectrum at the flattening filter was compared against the Tosi et al. source-term model. ► Tosi et al. model underestimates the neutron contribution below 1 MeV. ► Photon spectra look alike to those published in literature.

  17. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.

    2009-01-01

    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...

  18. Direct Frequency Comb Spectroscopy of Alkali Atoms

    Science.gov (United States)

    Pradhananga, Trinity; Palm, Christopher; Nguyen, Khoa; Guttikonda, Srikanth; Kimball, Derek Jackson

    2011-11-01

    We are using direct frequency comb spectroscopy to study transition frequencies and excited state hyperfine structure in potassium and rubidium using 2-photon transitions excited directly with the frequency-doubled output of a erbium fiber optical frequency comb. The frequency comb output is directed in two counterpropagating directions through a vapor cell containing the atomic vapor of interest. A pair of optical filters is used to select teeth of the comb in order to identify the transition wavelengths. A photomultiplier tube (PMT) measures fluorescence from a decay channel wavelength selected with another optical filter. Using different combinations of filters enables a wide range of transitions to be investigated. By scanning the repetition rate, a Doppler-free spectrum can be obtained enabling kHz-resolution spectral measurements. The thermal motion of the atoms in the vapor cell actually eliminates the need to fine-tune the offset frequency and repetition rate, alleviating a somewhat challenging requirement for spectroscopy of cold atoms. Our investigations are laying the groundwork for a long-term research program to use direct frequency comb spectroscopy to understand the complex spectra of rare-earth atoms.

  19. High-resolution measurements of x rays from ion-atom collisions

    International Nuclear Information System (INIS)

    Knudson, A.R.

    1974-01-01

    High resolution measurements of K x-ray spectra produced by ion-atom collisions at MeV energies are presented. These measurements indicate that a distribution of L-shell vacancies accompanies K-shell excitation. The variation of these spectra as a function of incident ion energy and atomic number is discussed. Difficulties in the analysis of these spectra due to rearrangement of vacancies between the time of the collision and the time of x-ray emission are considered. The use of high resolution x-ray measurements to obtain information on projectile ion vacancy configurations is demonstrated by data for Ar ions in KCl. X-ray spectra from Al projectiles in a variety of targets were measured and the effect of target composition on these spectra is discussed

  20. Experimental atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The experimental atomic physics program within the physics division is carried out by two groups, whose reports are given in this section. Work of the accelerator atomic physics group is centered around the 6.5-MV EN tandem accelerator; consequently, most of its research is concerned with atomic processes occurring to, or initiated by, few MeV/amu heavy ions. Other activities of this group include higher energy experiments at the Holifield Heavy Ion Research Facility (HHIRF), studies of electron and positron channeling radiation, and collaborative experiments at other institutions. The second experimental group concerns itself with lower energy atomic collision physics in support of the Fusion Energy Program. During the past year, the new Electron Cyclotron Resonance Source has been completed and some of the first data from this facility is presented. In addition to these two activities in experimental atomic physics, other chapters of this report describe progress in theoretical atomic physics, experimental plasma diagnostic development, and atomic data center compilation activities

  1. Cu 4s → 4p atomic like excitations in the Ne matrix.

    Science.gov (United States)

    Hatano, Yasuyo; Tatewaki, Hiroshi; Yamamoto, Shigeyoshi

    2013-06-07

    The lowest three or four excited states (the triplet or quartet states) of the Cu atom in a neon (Ne) matrix have been studied experimentally, and have been presumed to have the electronic configuration of Cu 4p(1). The origins of the triplet and the quartet are not yet fully clear, although many models have been proposed. It has been argued, for example, that the existence of different trapping sites would give rise to two partly overlapping triplets, leading to spectra having three or four lines or more. Below, the electronic structures of the ground state and lowest excited states of the Cu atom in the neon matrix are clarified by means of ab initio molecular orbital calculations, using the cluster model. It was found that a rather large vacancy (hollow) with residual Ne atoms is vital for explaining the observed spectra having three or more lines; the Cu atom occupies the center of the substitutional site of a face-centered cubic (fcc)-like cluster comprising 66 Ne atoms, in which the first shell composed of 12 Ne atoms is empty. The presence of the residual Ne atoms in the first shell gives rise to more than three excited states, explaining the experimental spectra. Electron-electron interaction (including the crystal field) and spin-orbit interaction are both important in explaining the experimental spectra.

  2. Atomic mass spectrometry

    International Nuclear Information System (INIS)

    Sanz-Medel, A.

    1997-01-01

    The elemental inorganic analysis seems to be dominated today by techniques based on atomic spectrometry. After an evaluation of advantages and limitations of using mass analysers (ion detectors) versus conventional photomultipliers (photon detector) a brief review of the more popular techniques of the emerging Atomic Mass spectrometry is carried out. Their huge potential for inorganic trace analysis is such that in the future we could well witness how this end of the century and millennium marked the fall of the photons empire in Analytical Atomic Spectrometry. (Author)

  3. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

    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.

  4. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O' Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  5. Division of atomic physics

    International Nuclear Information System (INIS)

    Kroell, S.

    1994-01-01

    The Division of Atomic Physics, Lund Institute of Technology (LTH), is responsible for the basic physics teaching in all subjects at LTH and for specialized teaching in Optics, Atomic Physics, Atomic and Molecular Spectroscopy and Laser Physics. The Division has research activities in basic and applied optical spectroscopy, to a large extent based on lasers. It is also part of the Physics Department, Lund University, where it forms one of eight divisions. Since the beginning of 1980 the research activities of our division have been centred around the use of lasers. The activities during the period 1991-1992 is described in this progress reports

  6. Atom trap trace analysis

    International Nuclear Information System (INIS)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O'Connor, T. P.; Young, L.

    2000-01-01

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual 85 Kr and 81 Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10 -11 and 10 -13 , respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications

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

    DEFF Research Database (Denmark)

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

    2003-01-01

    . DFT Becke3LYP/6-31G* theory has been used to determine the geometry, Hessian, atomic polar tensors (APT), and atomic axial tensors (AAT), and the electric dipole-electric dipole polarizability derivatives (EDEDPD), which are required for us to simulate the VA, VCD, and Raman spectra. The electric...

  8. Section of Atomic Collisions

    International Nuclear Information System (INIS)

    Berenyi, D.; Biri, S.; Gulyas, L.; Juhasz, Z.; Kover, A.; Orban, A.; Palinkas, J.; Papp, T.; Racz, R.; Ricz, S.

    2009-01-01

    The Section of Atomic Collisions is a research unit with extended activity in the field of atomic and molecular physics. Starting from the study of atomic processes at the beamlines of nuclear physics accelerators in the seventies, our research community became one of the centers of fundamental research in Atomki. We also have a strong connection to materials sciences especially along the line of electron and ion spectroscopy methods. Our present activity covers a wide range of topics from atomic collision mechanisms of fundamental interest, to the complex interactions of electrons, ions, photons and antiparticles with atoms, molecules, surfaces, and specific nanostructures. In the last few years, an increasing fraction of our present topics has become relevant for applications, e.g., molecular collision studies for the radiation therapy methods of tumors, or ion-nanostructure interactions for the future construction of small ion-focusing elements. Our section belongs to the Division of Atomic Physics. The other unit of the Division is the Section of Electron Spectroscopy and Materials Sciences. There are traditionally good connections and a strong collaboration between the groups of the two sections in many fields. From the very beginning of our research work in atomic collisions, external collaborations were of vital importance for us. We regularly organize international workshops in the field of fast ion-atom collisions and related small conferences in Debrecen from 1981. Recently, we organized the Conference on Radiation Damage in Biomolecular Systems (RADAM 2008, Debrecen), and coorganized the Conference on Elementary Processes in Atomic Systems (CEPAS 2008, Cluj). We have access to several large scale facilities in Europe within the framework of formal and informal collaborations. The next themes are in this article: Forward electron emission from energetic atomic collisions; Positron-atom collisions; Photon-atom interactions; Interference effects in electron

  9. Fluctuation analysis of rotational spectra

    International Nuclear Information System (INIS)

    Doessing, T.; Bracco, A.; Broglia, R.A.; Matsuo, M.

    1996-01-01

    The compound state rotational degree of freedom is ''damped'' in the sense that the electric quadrupole decay of a single quantum state with angular momentum I exhibits a spectrum of final states all having spin I-2. In actual experiments, the cascade of γ-rays associated with each of the members of the ensemble of compound nuclei uses each of the ''discrete'' transitions many more times than the ''continuum'' transitions. Relatively large and small fluctuations in the recorded coincidence spectrum ensue, respectively. The analysis of the fluctuations will be shown to be instrumental to gain insight into the phenomenon of rotational damping. For this purpose, two- and higher-fold coincidence spectra emitted from rotating nuclei are analyzed with respect to the count fluctuations. The coincidences from consecutive γ-rays emitted from discrete rotational bands generate ridges in the E γ1 .E γ2 spectrum, and the fluctuation analysis of the ridges is based upon the ansatz of a random selection of transition energies from band to band. This ansatz is supported by a cranked mean-field calculation for the nucleus 168 Yb, as well as by analyzing resolved bands in 168 Yb and its neighbors. The fluctuation analysis of the central valley (E γ1 =E γ2 ) is based upon the ansatz of fluctuations in the intensity of the transitions of Porter-Thomas type superposed on a smooth spectrum of transition energies. This ansatz is again supported by a mixed-band calculation. The mathematical treatment of count fluctuations is formulated in general (orig.)

  10. History of early atomic clocks

    International Nuclear Information System (INIS)

    Ramsey, N.F.

    2005-01-01

    This review of the history of early atomic clocks includes early atomic beam magnetic resonance, methods of separated and successive oscillatory fields, microwave absorption, optical pumping and atomic masers. (author)

  11. Atomic Energy Authority Bill

    International Nuclear Information System (INIS)

    Gray, J.H.N.; Stoddart, D.L.; Sinclair, R.M.; Ezra, D.

    1985-01-01

    The House, in Committee, discussed the following matters in relation to the Atomic Energy Authority Bill; financing; trading; personnel conditions of employment; public relations; organization; research programmes; fuels; energy sources; information dissemination. (U.K.)

  12. Atomic and Molecular Interactions

    International Nuclear Information System (INIS)

    2002-01-01

    The Gordon Research Conference (GRC) on Atomic and 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

  13. Zeeman atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Hadeishi, T.; McLaughlin, R.

    1978-08-01

    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given

  14. Optics With Cold Atoms

    National Research Council Canada - National Science Library

    Hau, Lene

    2004-01-01

    .... And to test the novel atom sensor, we have built a moving-molasses magneto-optical trap in a geometry tailor-suited to the nanotube detector geometry, involving construction of a highly stable laser...

  15. Atomic Energy Control Regulations

    International Nuclear Information System (INIS)

    1992-01-01

    This is the consolidated text of the Atomic Energy Control Regulations of 17 March 1960, with amendments to 27 August 1992. The Regulations cover the licensing of nuclear facilities, radiation sources, including uranium mining, radiation protection questions, etc. (NEA)

  16. The atomic conflict

    International Nuclear Information System (INIS)

    Mez, L.

    1981-01-01

    This book provides a general view at the atomic programmes of several countries and makes an attempt to unmask the atomic industrial combines with their interlockings. The governments role is analysed as well as the atomic policy of the parties, union-trades and associations. Then, the anti-atomic movements in those countries, their forms of resistance, the resonance and the alternative proposals are presented. The countries concerned are Australia, the FRG, COMECON, Danmark, the EG, Finland, France, Great Britain, Ireland, Japan, the Netherlands, Norway, Austria, Sweden, Switzerland, Spain and the USA. For the pocket book version, Lutz Mez adds an updating epilogue which continues with the developments until springtime 1981. (orig./HP) [de

  17. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

    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.

  18. Atom chip gravimeter

    Science.gov (United States)

    Schubert, Christian; Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Ahlers, Holger; Müntinga, Hauke; Matthias, Jonas; Sahelgozin, Maral; Herr, Waldemar; Lämmerzahl, Claus; Ertmer, Wolfgang; Rasel, Ernst

    2016-04-01

    Atom interferometry has developed into a tool for measuring rotations [1], accelerations [2], and testing fundamental physics [3]. Gravimeters based on laser cooled atoms demonstrated residual uncertainties of few microgal [2,4] and were simplified for field applications [5]. Atomic gravimeters rely on the interference of matter waves which are coherently manipulated by laser light fields. The latter can be interpreted as rulers to which the position of the atoms is compared. At three points in time separated by a free evolution, the light fields are pulsed onto the atoms. First, a coherent superposition of two momentum states is produced, then the momentum is inverted, and finally the two trajectories are recombined. Depending on the acceleration the atoms experienced, the number of atoms detected in the output ports will change. Consequently, the acceleration can be determined from the output signal. The laser cooled atoms with microkelvin temperatures used in state-of-the-art gravimeters impose limits on the accuracy [4]. Therefore, ultra-cold atoms generated by Bose-Einstein condensation and delta-kick collimation [6,7] are expected to be the key for further improvements. These sources suffered from a low flux implying an incompatible noise floor, but a competitive performance was demonstrated recently with atom chips [8]. In the compact and robust setup constructed for operation in the drop tower [6] we demonstrated all steps necessary for an atom chip gravimeter with Bose-Einstein condensates in a ground based operation. We will discuss the principle of operation, the current performance, and the perspectives to supersede the state of the art. The authors thank the QUANTUS cooperation for contributions to the drop tower project in the earlier stages. This work is supported by the German Space Agency (DLR) with funds provided by the Federal Ministry for Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under grant numbers DLR 50WM

  19. Atoms at work

    International Nuclear Information System (INIS)

    1982-07-01

    This illustrated booklet discusses the following: atoms; fission of uranium; nuclear power plants; reactor types; plutonium (formation, properties, uses); radioactive waste (fuel cycle, reprocessing, waste management); nuclear fusion; fusion reactors; radiation; radioisotopes and their uses. (U.K.)

  20. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

    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...

  1. Atomic Interferometry, Phase I

    Data.gov (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...

  2. Atomic bomb cataracts

    International Nuclear Information System (INIS)

    Shiraeda, Kanji

    1992-01-01

    Eye disturbance caused by atomic bomb radiation can be divided into three groups: direct injury immediately after exposure, eye lesions associated with radiation syndrome, and delayed disturbance. The crystalline lens of the eye is the most radiosensitive. Atomic bomb cataract has been investigated in a number of studies. The first section of this chapter discusses radiation cataract in terms of the incidence and characteristics. The second section deals with atomic bomb cataract, which can be diagnosed based on the four criteria: (1) opacity of the crystalline lens, (2) a history of proximal exposure, (3) lack of eye disease complicating cataract, and (4) non-exposure to radiation other than atomic bombing. The prevalence of cataract and severity of opacity are found to correlate with exposure doses and age at the time of exposure. Furthermore, it is found to correlate with distance from the hypocenter, the condition of shielding, epilation, and the presence or absence or degree of radiation syndrome. (N.K.)

  3. Effects of phonon broadening on x-ray near-edge spectra in molecular crystals

    Science.gov (United States)

    Vinson, John; Jach, Terrence; Elam, Tim; Denlinger, Jonathon

    2014-03-01

    Calculations of near-edge x-ray spectra are often carried out using the average atomic coordinates from x-ray or neutron scattering experiments or from density functional theory (DFT) energy minimization. This neglects disorder from thermal and zero-point vibrations. Here we look at the nitrogen K-edge of ammonium chloride and ammonium nitrate, comparing Bethe-Salpeter calculations of absorption and fluorescence to experiment. We find that intra-molecular vibrational effects lead to significant, non-uniform broadening of the spectra, and that for some features zero-point motion is the primary source of the observed shape.

  4. Resonant Ni and Fe KLL Auger spectra photoexcited from NiFe alloys

    International Nuclear Information System (INIS)

    Koever, L.; Cserny, I.; Berenyi, Z.; Egri, S.; Novak, M.

    2005-01-01

    Complete text of publication follows. KLL Auger spectra of 3d transition metal atoms in solid environment, measured using high energy resolution, give an insight into the details of the local electronic structure surrounding the particular atoms emitting the signal Auger electrons. Fine tuning the energy of the exciting monochromatic photons across the K-absorption edge, features characteristic to resonant phenomena can be identified in the spectra. The shapes of the resonantly photoexcited KLL Auger spectra induced from 3d transition metals and alloys are well interpreted by the single step model of the Auger process, based on the resonant scattering theory. The peak shapes are strongly influenced by the 4p partial density of unoccupied electronic states around the excited atom. High energy resolution studies of KLL Auger spectra of 3d transition metals using laboratory X-ray sources, however, request very demanding experiments and yield spectra of limited statistical quality making the evaluation of the fine details in the spectra difficult. The Tunable High Energy XPS (THE- XPS) instrument at BW2 offers optimum photon x and energy resolution for spectroscopy of deep core Auger transitions. For the present measurements high purity polycrystalline Ni and Fe sheets as well as NiFe alloy samples of different compositions (Ni 80 Fe 20 , Ni 50 Fe 50 , Ni 20 Fe 80 ) were used. The surfaces of the samples were cleaned by in-situ argon ion sputtering. The measurements of the Ni and Fe KL 23 L 23 Auger spectra of the metal and alloy samples were performed with the THE-XPS instrument using high electron energy resolution (0.2 eV). In Fig.1, the measured Fe KL 23 L 23 spectrum, photoexcited at the Fe K absorption edge from Fe metal, is compared with the respective spectrum excited from a Ni 50 Fe 50 alloy. A significant broadening of the 1 D 2 peak and an enhancement of the spectral intensity at the low energy loss part of this peak observed in the alloy sample, while the

  5. Electron spectra resulting from autoionization in low-energy Li+ + He collisions

    International Nuclear Information System (INIS)

    Yagishita, A.; Wakiya, K.; Takayanagi, T.; Suzuki, H.; Koike, F.

    1979-09-01

    Spectra of electrons ejected from doubly excited states of helium have been extensively measured at several observation angles fro impact with lithium ions at energies lower than 5 KeV. ''Molecular-autoionization'' spectra have been found at forward observation angles, and analyzed in terms of the Gerber-Niehaus theory with modification. The spectral shapes of atomic-autoionization peaks have been discussed in relation to both the Barker-Berry effect and the Doppler effect. Excitation cross sections of autoionizing states have been determined by a new method that uses simultaneous impact of ions and electrons. (author)

  6. Inclusive spectra of mesons with large transverse momenta in proton-nuclear collisions at high energies

    International Nuclear Information System (INIS)

    Lykasov, G.I.; Sherkhonov, B.Kh.

    1982-01-01

    Basing on the proposed earlier quark model of hadron-nucleus processes with large transverse momenta psub(perpendicular) the spectra of π +- , K +- meson production with large psub(perpendicular) in proton-nucleus collisions at high energies are calculated. The performed comparison of their dependence of the nucleus-target atomic number A with experimental data shows a good agreement. Theoretical and experimental ratios of inclusive spectra of K +- and π +- mesons in the are compared. Results of calculations show a rather good description of experimental data on large psub(perpendicular) meson production at high energies

  7. An experimental investigation on the properties of laser-induced plasma emission spectra

    International Nuclear Information System (INIS)

    Tang Xiaoshuan; Li Chunyan; Ji Xuehan; Feng Eryin; Cui Zhifeng

    2004-01-01

    The authors have measured the time-resolved emission spectra produced by Nd: YAG laser induced Al plasma with different kinds of buffer gas (He, Ar, N 2 and Air). The dependence of emission spectra line intensity and Stark broadening on the time delay, kinds and pressure of buffer gas are studied. The results show that the atomic emission line intensity reaches maximum at 3 μs time delay, the Stark broadening increases with increasing the pressure of buffer gas, and decreases with increasing time delay. The Stark broadening in Ar buffer gas is largest among the four different kinds of buffer gas. (author)

  8. The Atomic Energy Control Board

    International Nuclear Information System (INIS)

    Doern, G.B.

    1976-01-01

    This study describes and assesses the regulatory and administrative processes and procedures of the Atomic Energy Control Board, the AECB. The Atomic Energy Control Act authorized the AECB to control atomic energy materials and equipment in the national interest and to participate in measures for the international control of atomic energy. The AECB is authorized to make regulations to control atomic energy materials and equipment and to make grants in support of atomic energy research. (author)

  9. Energy flux of hot atoms

    International Nuclear Information System (INIS)

    Wotzak, G.P.; Kostin, M.D.

    1976-01-01

    The process in which hot atoms collide with thermal atoms of a gas, transfer kinetic energy to them, and produce additional hot atoms is investigated. A stochastic method is used to obtain numerical results for the spatial and time dependent energy flux of hot atoms in a gas. The results indicate that in hot atom systems a front followed by an intense energy flux of hot atoms may develop

  10. Harnessing the atom

    International Nuclear Information System (INIS)

    1999-01-01

    Splitting the atom has had a major impact on the history of the latter part of the 20th century. This film depicts the many benefits - and also drawbacks - of nuclear technology, and describes how the International Atomic Energy Agency performs its various tasks. It touches on challenges such as the choice between major energy sources, growing concerns about the global climate, and prospects for nuclear arms control and disarmament

  11. Atomic Energy Act 1946

    International Nuclear Information System (INIS)

    1946-01-01

    This Act provides for the development of atomic energy in the United Kingdom and for its control. It details the duties and powers of the competent Minister, in particular his powers to obtain information on and to inspect materials, plant and processes, to control production and use of atomic energy and publication of information thereon. Also specified is the power to search for and work minerals and to acquire property. (NEA) [fr

  12. Hirshfeld atom refinement.

    Science.gov (United States)

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

    2014-09-01

    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.

  13. Manipulating atoms with photons

    International Nuclear Information System (INIS)

    Cohen-Tannoudji, C.N.

    1998-01-01

    The article is a translation of the lecture delivered on the occasion of the 1997 Nobel Prize awarding ceremony. The physical mechanisms which allow manipulating of neutral atoms with laser photons are described. A remark is also made concerning several possible applications of ultra-cool atoms and streams of future research. The article is completed by Prof. Cohen-Tannoudji's autobiography. (Z.J.)

  14. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

    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.

  15. Area spectra of near extremal black holes

    International Nuclear Information System (INIS)

    Chen, Deyou; Yang, Haitang; Zu, Xiaotao

    2010-01-01

    Motivated by Maggiore's new interpretation of quasinormal modes, we investigate area spectra of a near extremal Schwarzschild-de Sitter black hole and a higher-dimensional near extremal Reissner-Nordstrom-de Sitter black hole. The result shows that the area spectra are equally spaced and irrelevant to the parameters of the black holes. (orig.)

  16. Composite Spectra Paper 1: HR 6902

    Indian Academy of Sciences (India)

    tribpo

    spectra; in many cases we have used the maximum width permitted by the optics of ... 10 mЕ, corresponding to 1 µm the plate, are the norm. ..... an inequality ..... on the spectra of HR 6902, we have thought it appropriate to weight the four ...

  17. Thermoluminescence spectra measured with a Michelson interferometer

    International Nuclear Information System (INIS)

    Haschberger, P.

    1991-01-01

    A Michelson interferometer was redesigned to prove its capabilities in the measurement of short-lived, low-intensity thermoluminescence spectra. Interferograms are collected during heating up the thermoluminescent probe in a heater plate. A personal computer controls the data acquisition and processes the Fourier transform. As the results show, even a comparatively simple and limited setup leads to relevant and reproducible spectra. (author)

  18. Near IR spectra of symbiotic stars

    International Nuclear Information System (INIS)

    Andrillat, Y.

    1982-01-01

    The author reports on recent observations from the near IR spectra of symbiotic stars. The helium and oxygen lines useful for the construction of theoretical models are identified. Observations for cool stars and novae (nebular phase) are outlined and the spectra of specific symbiotic stars between lambdalambda 8000-11000 are presented and discussed. (Auth./C.F.)

  19. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    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...

  20. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

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

    1991-12-01

    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).

  1. On the bosonic atoms

    Science.gov (United States)

    Amusia, M. Ya.; Chernysheva, L. V.

    2018-01-01

    We investigate ground state properties of atoms, in which substitute fermions - electrons by bosons, namely π --mesons. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into account symmetry, instead of anti-symmetry of the pair identical bosons wave function. The modified HF approach thus enhances (doubles) the effect of self-action for the boson case. Therefore, we accordingly modify the HF equations by eliminating the self-action terms "by hand". The contribution of meson-meson and meson-nucleon non-Coulomb interaction is inessential at least for atoms with low and intermediate nuclear charge, which is our main subject. We found that the binding energy of pion negative ions A π - , pion atoms A π , and the number of extra bound pions ΔN π increases with the growth of nuclear charge Z. For e.g. Xe ΔN π = 4. As an example of a simple process with a pion atom, we consider photoionization that differs essentially from that for electron atoms. Namely, it is not monotonic decreasing from the threshold but has instead a prominent maximum above threshold. We study also elastic scattering of pions by pion atoms.

  2. FAO and atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1960-07-15

    During the past six years FAO has become more engaged in work concerned with atomic energy. In 1957 it established an Atomic Energy Branch. The new forces and new tools which have become available for use in the fight against poverty, disease and malnutrition can be of the greatest assistance in FAO's work in nearly all phases of the production, storage and distribution of food and other agricultural products. The Organization promotes their use to improve the standards of feeding, clothing and housing throughout the world. Another side of work related to atomic energy is concerned with combating contamination from the use of atomic energy for power production and other purposes. This raises considerable problems for food and agriculture, so that FAO also has a responsibility for assisting Governments in safeguarding their food and food-producing resources from contamination. FAO is essentially concerned with fostering wider knowledge of the many contributions that atomic science can make to agriculture, forestry, fisheries and nutrition. It is also concerned in assisting governments to establish sound programmes for applying atomic science in food and agriculture. One way of spreading such knowledge is through the publication of documents and reports

  3. Atomic clocks for geodesy

    Science.gov (United States)

    Mehlstäubler, Tanja E.; Grosche, Gesine; Lisdat, Christian; Schmidt, Piet O.; Denker, Heiner

    2018-06-01

    We review experimental progress on optical atomic clocks and frequency transfer, and consider the prospects of using these technologies for geodetic measurements. Today, optical atomic frequency standards have reached relative frequency inaccuracies below 10‑17, opening new fields of fundamental and applied research. The dependence of atomic frequencies on the gravitational potential makes atomic clocks ideal candidates for the search for deviations in the predictions of Einstein’s general relativity, tests of modern unifying theories and the development of new gravity field sensors. In this review, we introduce the concepts of optical atomic clocks and present the status of international clock development and comparison. Besides further improvement in stability and accuracy of today’s best clocks, a large effort is put into increasing the reliability and technological readiness for applications outside of specialized laboratories with compact, portable devices. With relative frequency uncertainties of 10‑18, comparisons of optical frequency standards are foreseen to contribute together with satellite and terrestrial data to the precise determination of fundamental height reference systems in geodesy with a resolution at the cm-level. The long-term stability of atomic standards will deliver excellent long-term height references for geodetic measurements and for the modelling and understanding of our Earth.

  4. FAO and atomic energy

    International Nuclear Information System (INIS)

    1960-01-01

    During the past six years FAO has become more engaged in work concerned with atomic energy. In 1957 it established an Atomic Energy Branch. The new forces and new tools which have become available for use in the fight against poverty, disease and malnutrition can be of the greatest assistance in FAO's work in nearly all phases of the production, storage and distribution of food and other agricultural products. The Organization promotes their use to improve the standards of feeding, clothing and housing throughout the world. Another side of work related to atomic energy is concerned with combating contamination from the use of atomic energy for power production and other purposes. This raises considerable problems for food and agriculture, so that FAO also has a responsibility for assisting Governments in safeguarding their food and food-producing resources from contamination. FAO is essentially concerned with fostering wider knowledge of the many contributions that atomic science can make to agriculture, forestry, fisheries and nutrition. It is also concerned in assisting governments to establish sound programmes for applying atomic science in food and agriculture. One way of spreading such knowledge is through the publication of documents and reports

  5. Atomic bomb and leukemia

    International Nuclear Information System (INIS)

    Ichimaru, M.; Tomonaga, M.; Amenomori, T.; Matsuo, T.

    1991-01-01

    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∼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)

  6. Uranyl oxalate hydrates: structures and IR spectra

    International Nuclear Information System (INIS)

    Giesting, P.A.; Porter, N.J.; Burns, P.C.

    2006-01-01

    The novel compound (UO 2 ) 2 C 2 O 4 (OH) 2 (H 2 O) 2 (UrOx2A) and the previously studied compound UO 2 C 2 O 4 (H 2 O) 3 (UrOx3) have been synthesized by mild hydrothermal methods. Single crystal diffraction data collected at 125 K using MoK α radiation and a CCD-based area detector were used to solve and refine the crystal structures by full-matrix least-squares techniques to agreement indices (UrOx2A, UrOx3) wR 2 = 0.037, 0.049 for all data, and R1 0.015, 0.024 calculated for 1285, 2194 unique reflections respectively. The compound UrOx2A is triclinic, space group P1, Z = 1, a = 5.5353(4), b 6.0866(4), c = 7.7686(6) Aa, α = 85.6410(10) , β = 89.7740(10) , γ = 82.5090(10) , V = 258.74(3) Aa 3 . The compound UrOx3 is monoclinic, space group P2 1 /c, Z = 4, a = 5.5921(4), b = 16.9931(13), c = 9.3594(7) Aa, β = 99.5330(10) , V = 877.11(11) Aa 3 . The structures consist of chains of uranyl pentagonal bipyramids connected by oxalate groups and, in UrOx2A, hydroxyl groups; UrOx2A is also notable for its high (2:1) ratio of uranyl to oxalate groups, higher than any observed in other published structures of uranyl oxalates. The structure determined for UrOx3, previously studied by Jayadevan and Chackraburtty (1972); Mikhailov et al. (1999) is in agreement with the previous results; however, the increased precision of the present low-temperature structure refinement allows for the assignment of H atom positions based on the difference Fourier map of electron density. The infrared spectra of these two materials collected at room temperature are also presented and compared with previous work on uranyl oxalate systems. (orig.)

  7. Atomic phenomena in dense plasmas

    International Nuclear Information System (INIS)

    Weisheit, J.C.

    1981-03-01

    The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination

  8. PCA: Principal Component Analysis for spectra modeling

    Science.gov (United States)

    Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

    2012-07-01

    The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

  9. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky

    2012-01-01

    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.

  10. Photoexcitation and ionization of hydrogen atom confined in Debye environment

    International Nuclear Information System (INIS)

    Lumb, S.; Lumb, S.; Nautiyal, V.

    2015-01-01

    The dynamics of a hydrogen atom confined in an impenetrable spherical box and under the effect of Debye screening, in the presence of intense short laser pulses of few femtosecond is studied in detail. The energy spectra and wave functions have been calculated using Bernstein polynomial (B-polynomial) method. Variation of transition probabilities for various transitions due to changes in Debye screening length, confinement radius as well as the parameters characterizing applied laser pulse is studied and explained. The results are found to be in good agreement with the results obtained by others. The photoexcitation and ionization of the atom strongly depend on confinement radius and screening parameter. For small confinement radii and for some values of screening parameter the atom is found to be ionized easily. The dynamics of the atom can be easily controlled by varying pulse parameters

  11. Relativistic many-body theory of atomic structures

    International Nuclear Information System (INIS)

    Cheng, K.T.

    1983-01-01

    The main objective of this program is to improve our understanding of the effect of relativity and electron correlations on atomic processes. Current efforts include hyperfine structure (hfs) studies using the multiconfiguration Dirac-Fock (MCDF) technique. Atomic hfs are known to be sensitive to relativity and electron correlations, and provide important tests of relativistic atomic many-body theories. Preliminary results on the hfs of the 4f 12 3 H ground state of 68 Er 167 are shown and are in good agreement with experiment. This shows that the MCDF technique can be an efficient and powerful method for atomic hfs studies. Further tests of this method are in progress. We are also studying the absorption spectra for Xe-like ions in the region of 4d → nf, epsilonf transitions

  12. X-ray core states, atomic size and Moseley's law

    International Nuclear Information System (INIS)

    Smith, D.Y.; Karstens, William

    2000-01-01

    Vinti's dipolar sum-rule for the spatial extent of quantum states was tested on atomic K-shell and ns valence states. Agreement between radii derived from absorption spectra and from atomic-structure calculations is excellent, provided Pauli-principle-prohibited transitions are accounted for. These many-electron corrections to the single-electron sum-rule contributed less than 20% to the radii, which supports application of single-electron rules to electron-excess defects as a first approximation. We found the oscillator strength for K-shell excitations decreases rapidly with atomic number because of strength transfer to higher-lying p states. Hence, K-shell contributions to radiation damage decrease with increasing atomic number. A new interpretation of Moseley's law for the X-ray K edge in terms of K-shell radii is described

  13. Percolation approach for atomic and molecular cluster formation

    International Nuclear Information System (INIS)

    Knospe, O.; Seifert, G.

    1987-12-01

    We apply a percolation approach for the theoretical analysis of mass spectra of molecular microclusters obtained by adiabatic expansion technique. The evolution of the shape of the experimental size distributions as function of stagnation pressure and stagnation temperature are theoretically reproduced by varying the percolation parameter. Remaining discrepancies between theory and experiment are discussed. In addition, the even-odd alternation as well as the 'magic' shell structure within metallic, secondary ion mass spectra are investigated by introducing statistical weights for the cluster formation probabilities. Shell correction energies of atomic clusters as function of cluster-size are deduced from the experimental data. (orig.)

  14. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE. MODQKE was written to modify or provide new histories with special attention paid to short seismic records. A technique from the open literature was borrowed to generate an initial history that approximates a given response spectrum. Further refinement is done with smoothing cycles in which several correction signals are added to the history in a way that produces a least squares fit between actual and prescribed spectra. Provision is made for history shaping, a baseline correction, and final scaling. MODQKE performance has been demonstrated with seven examples having zero to ten percent damping ratios, and 2.5 seconds to 20 seconds durations and a variety of target spectra. The examples show the program is inexpensive to use. MDOF is a simple modal superposition program. It has no eigensolver, and the user supplies mode shapes, frequencies, and participation factors as input. Floor spectra can be generated from design spectra by using a history from MODQKE that conforms to the design spectrum as input to MDOF. Floor motions from MDOF can be fed back to MODQKE without modification to obtain the floor spectra. A simple example is given to show how equipment mass effects can be incorporated into the MDOF solution. Any transient solution capability can be used to replace MDOF. For example, a direct transient approach may be desirable if both the equipment and floor structures are to be included in the model with different damping fractions. (orig./HP)

  15. Automated generation and ensemble-learned matching of X-ray absorption spectra

    Science.gov (United States)

    Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

    2018-03-01

    X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

  16. Comparative analysis of quasi-linear spectra of organic boron compounds and their heterocyclic and aromatic analogs

    International Nuclear Information System (INIS)

    Klimova, L.A.; Volkova, V.P.; Kugemova, M.E.; Mikhajlov, B.M.

    1976-01-01

    Quasiline absorption and luminescence spectra of polycyclic compounds containing boron, nitrogen, or oxygen atoms have been obtained and studied for the first time. Electron-vibrating spectra of these compounds have been compared with the corresponding spectra of nitrogen- and oxygen-containing heterocycles as well as with spectra of their aromatic analog - phenanthrene. Vibrational analysis of the spectra of all the compounds reveals, within the accuracy limit of measurements, the relative closeness of the vibrational frequencies. However, the great difference between the positions of electron transitions points to a change in π-electron structure of the molecules when heteroatoms are introduced. High sensitivity of the frequency of electron transition to structural changes makes it possible to determine the degree of influence of separate heteroatoms

  17. The Closed-Orbit Theory for General Rydberg Atoms in External Fields

    International Nuclear Information System (INIS)

    Carboni, R.

    1997-01-01

    The photoabsorption spectra of hydrogen Rydberg atoms, as well of model Rydberg atoms in pure magnetic or electric fields have been successfully calculated using the semiclassical closed-orbit theory. The theory relates the resonances of the spectra to closed classical orbits of the excited electron. The dynamics of multielectron atoms is more complicated than the hydrogenic one; additionally, when the atoms are in the presence of perpendicular magnetic and electric fields becomes more complex than when they are in pure fields, due to the fact that the Hamiltonian is non-separable in three degrees of freedom, instead of two non-separable degrees of freedom. In this work, I present an extension of the closed-orbit theory to three degrees of freedom, considering arbitrary quantum defects, i.e., general atoms. (Author) [es

  18. 35Cl NQR spectra of complexes of tetrachlorostannane with substituted benzoyl chlorides

    International Nuclear Information System (INIS)

    Feshin, V.P.; Dogushin, G.V.; Lazarev, I.M.; Voronkov, M.G.; Feshina, E.V.

    1987-01-01

    35 Cl NQR spectra of mixtures of SnCl 4 with 2-, 3- and 4-XC 6 H 4 COCl were obtained. The electronic and steric structure of the complexes obtained was established. Their formation and structure depend on the nature of substituents X. Complexes with a trigonal-bipyramidal structure are formed with the participation of the carbonyl oxygen atom of the ligand as an electron-donor-center, and complexes with trans-octahedral structure, with the participation of the sulfur atom of the X = CH 3 S substituent

  19. Photon energy dependent intensity variations observed in Auger spectra of free argon clusters

    International Nuclear Information System (INIS)

    Lundwall, M; Lindblad, A; Bergersen, H; Rander, T; Oehrwall, G; Tchaplyguine, M; Peredkov, S; Svensson, S; Bjoerneholm, O

    2006-01-01

    Photon energy dependent intensity variations are experimentally observed in the L 2,3 M 2,3 M 2,3 Auger spectra of argon clusters. Two cluster sizes are examined in the present study. Extrinsic scattering effects, both elastic and inelastic, involving the photoelectron are discussed and suggested as the explanation of the variations in the Auger signal. The atoms in the first few coordination shells surrounding the core-ionized atom are proposed to be the main targets for the scattering processes

  20. Vibrational spectra of cholorophylls a and b labeled with 26Mg and 15N

    International Nuclear Information System (INIS)

    Lutz, M.; Kleo, J.; Gilet, R.; Henry, M.; Plus, R.; Leicknam, J.P.

    1975-01-01

    Chlorophyll molecules having their central natural magnesium replaced by 26 Mg and their natural nitrogens by 15 N were obtained by biosynthesis and examined by infrared and resonance Raman spectrometry. These observations provide unequivocal assignments of the molecular vibrational frequencies which involve the magnesium and nitrogen atoms. In particular, in both infrared and resonance Raman spectra, the absence of displacements in bands of frequency higher than 1550 cm -1 indicated the insignificant contributions of C=N stretching modes, which have maximum activity in the 1050 to 1180 cm -1 region. These results also indicate a configuration of chlorophyll in which the magnesium atom is not at a center of symmetry

  1. Inductively coupled plasma-atomic emission spectroscopy

    International Nuclear Information System (INIS)

    Winge, R.K.; Fassel, V.A.; Peterson, V.J.; Floyd, M.A.

    1985-01-01

    This atlas of inductively coupled plasma-atomic emission spectroscopy records the spectra of the elements in a way that would reveal the general nature of the spectra, in all their simplicity or complexity; and offers a definitive summary of the most prominent spectral lines of the elements, i.e., those most likely to be useful for the determination of trace and ultratrace concentrations; it provides reliable estimates, based on the recorded experimental spectra, of the powers of detection of the listed prominent lines; and assesses the very important problem of spectral interferences. The atlas is composed of three main sections. Part I is concerned with the historical aspects of compilations of spectral information. Part II is based on 232 wavelength scans of 70 elements. Each of the wavelength scans covers an 80 nm spectral region. These scans allow a rapid comparison of the background and spectral line intensities emitted in the ICP and provide a ready means for identification of the most prominent lines of each element and for estimation of the trace element analytical capabilities of these lines. A listing of 973 prominent lines with associated detection limits is also presented. Part III addresses the problem of spectral interferences. On this topic a detailed collection of coincidence profiles is presented for 281 of the most prominent lines, each with profiles of ten of the most prevalent concomitants superimposed. (Auth.)

  2. Interference effects in Moessbauer spectra of M1-transitions

    International Nuclear Information System (INIS)

    Peregudov, V.N.

    1980-01-01

    The purpose of the study is the calculation of interference effects in Moessbauer spectra of the (γ, e) reaction. Two channels of the inelastic (γ, e) reaction are considered: resonance gamma radiation absorption by nucleus accompanied by internal conversion and photo absorption by atomic electrons. The case of M1 nuclear transition multipolarity is considered. The expression for angular dependence coefficients of interference member is obtained. General expression for (γ, e) reaction cross section is obtained in a long-wave approximation for the case when the specimen is placed in longitudinal magnetic field involving superfine nuclear level splitting. The results of disperse amplitudes calculation for 93 Kr, 119 Sn, 129 I, 149 Sm, 151 Eu, 169 Tm, 183 W, 193 Ir, 197 Au nuclei are verified. The calculations show that maximum interference effect in the (γ, e) reaction should be expected for 169 Tm isotope [ru

  3. Algebraic descriptions of nuclear and molecular rotation-vibration spectra

    International Nuclear Information System (INIS)

    Roosmalen, O.S. van.

    1982-01-01

    The application of algebraic models to the description of rotational and vibrational degrees of freedom of nuclei and molecules are discussed. Simple model Hamiltonians are shown to give good agreement with the energy spectra of diatomic molecules and nuclei. Some formal aspects of path integral methods for many-boson systems are treated. The two representations for the quantum mechanical propagator are compared and appear to be identical in leading order in 1/N (N is the number of bosons). Approximations for both are static and dynamic problems are discussed. Applications of mean field techniques are also treated. A description of tri- and tetra-atomic molecules in terms of a U(4)xU(4) and U(4)xU(4)xU(4) group structure is given. Linear molecules appear to correspond with symmetries of O(4) type. S-matrix elements are calculated to test mean field methods, and the results compared with exact calculations. (Auth.)

  4. Colloquium: Random matrices and chaos in nuclear spectra

    International Nuclear Information System (INIS)

    Papenbrock, T.; Weidenmueller, H. A.

    2007-01-01

    Chaos occurs in quantum systems if the statistical properties of the eigenvalue spectrum coincide with predictions of random-matrix theory. Chaos is a typical feature of atomic nuclei and other self-bound Fermi systems. How can the existence of chaos be reconciled with the known dynamical features of spherical nuclei? Such nuclei are described by the shell model (a mean-field theory) plus a residual interaction. The question is answered using a statistical approach (the two-body random ensemble): The matrix elements of the residual interaction are taken to be random variables. Chaos is shown to be a generic feature of the ensemble and some of its properties are displayed, emphasizing those which differ from standard random-matrix theory. In particular, the existence of correlations among spectra carrying different quantum numbers is demonstrated. These are subject to experimental verification

  5. Theory of X-ray absorption and emission spectra

    International Nuclear Information System (INIS)

    Mukoyama, Takeshi

    2004-01-01

    Theoretical studies on X-ray absorption and emission spectroscopy are discussed. Simple expressions for X-ray emission rate and X-ray absorption cross section are presented in the dipole approximation. Various atomic models to obtain realistic wave functions and theoretical calculations for X-ray absorption cross sections and X-ray emission rates are described. In the case of molecules and solids, molecular orbital methods for electronic structures and molecular wave functions are discussed. The emphasis is on the procedures to obtain the excited-state and continuum wave functions for molecules and to calculate the multi-center dipole matrix elements. The examples of the calculated X-ray absorption and emission spectra are shown and compared with the experimental results

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

    CERN Document Server

    Triebel, Hans

    1997-01-01

    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 (…) ...

  7. Spectra of conformal sigma models

    International Nuclear Information System (INIS)

    Tlapak, Vaclav

    2015-04-01

    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 3 vertical stroke 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 property of sigma models

  8. Measurement and calculation of characteristic prompt gamma ray spectra emitted during proton irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Polf, J C; Peterson, S; Beddar, S [M D Anderson Cancer Center, Univeristy of Texas, Houston, TX 77030 (United States); McCleskey, M; Roeder, B T; Spiridon, A; Trache, L [Cyclotron Institute, Texas A and M University, College Station, TX 77843 (United States)], E-mail: jcpolf@mdanderson.org

    2009-11-21

    In this paper, we present results of initial measurements and calculations of prompt gamma ray spectra (produced by proton-nucleus interactions) emitted from tissue equivalent phantoms during irradiations with proton beams. Measurements of prompt gamma ray spectra were made using a high-purity germanium detector shielded either with lead (passive shielding), or a Compton suppression system (active shielding). Calculations of the spectra were performed using a model of both the passive and active shielding experimental setups developed using the Geant4 Monte Carlo toolkit. From the measured spectra it was shown that it is possible to distinguish the characteristic emission lines from the major elemental constituent atoms (C, O, Ca) in the irradiated phantoms during delivery of proton doses similar to those delivered during patient treatment. Also, the Monte Carlo spectra were found to be in very good agreement with the measured spectra providing an initial validation of our model for use in further studies of prompt gamma ray emission during proton therapy. (note)

  9. UNESCO and atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1960-01-15

    Atomic energy has been of particular concern to UNESCO virtually since the founding of this United Nations agency with the mission of promoting the advancement of science along with education and culture. UNESCO has been involved in the scientific aspects of nuclear physics - notably prior to the creation of the International Atomic Energy Agency - but it has also focussed its attention upon the educational and cultural problems of the atomic age. UNESCO's sphere of action was laid down by its 1954 General Conference which authorized its Director-General to extend full co-operation to the United Nations in atomic energy matters, with special reference to 'the urgent study of technical questions such as those involved in the effects of radioactivity on life in general, and to the dissemination of objective information concerning all aspects of the peaceful utilization of atomic energy; to study, and if necessary, to propose measures of international scope to facilitate the use of radioisotopes in research and industry'. UNESCO's first action under this resolution was to call a meeting of a committee of experts from twelve nations to study the establishment of a system of standards and regulations for the preparation, distribution, transport and utilization of radioactive isotopes and tracer molecules

  10. Vacuum ultraviolet photochemistry of CH4 and isotopomers. II. Product channel fields and absorption spectra

    International Nuclear Information System (INIS)

    Wang, Jen-Han; Liu, Kopin; Min, Zhiyuan; Su, Hongmei; Bersohn, Richard; Preses, Jack; Larese, John Z.

    2000-01-01

    In part I of this work the relative velocities and anisotropies of the atomic H and D fragments from methane photolysis at 10.2 eV were measured. In this paper the relative abundance of the methyl and methylene fragments are reported. A complete set of quantum yields for the different photodissociation channels of each isotopomer is obtained by combining the two sets of data. Previously it was found that H atoms are almost four times more likely than D atoms to be ejected; now it is found that hydrogen molecule photofragments are much richer in H atoms than in D. Overall, the heavier D atoms are more likely than the H atoms to remain attached to the carbon atom. An implication for astrophysics is discussed. The VUV absorption spectra of CH 4 and CH 3 D are almost identical both at room temperature and 75 K. There is, as expected, no variation in the absorption spectrum with temperature. Evidence is given that all or almost all of the methylene is produced in the a 1 A 1 and not in the ground 3 B 1 state. (c) 2000 American Institute of Physics

  11. Statistical properties of Fermi GBM GRBs' spectra

    Science.gov (United States)

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

    2018-03-01

    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.

  12. Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane

    Energy Technology Data Exchange (ETDEWEB)

    Aleksa, V., E-mail: valdemaras.aleksa@ff.vu.lt; Ozerenskis, D.; Pucetaite, M.; Sablinskas, V. [Faculty of Physics, Vilnius University, Sauletekio av. 9, block 3, Vilnius, LT-10222 (Lithuania); Cotter, C.; Guirgis, G. A. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States)

    2015-03-30

    Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15 kJ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.

  13. 1H nmr spectra of dichloro and dihydroxy derivatives of methylcyclosiloxanes

    International Nuclear Information System (INIS)

    Lavrukhin, B.D.

    1986-01-01

    The authors report on a continuation of an investigation of how the nature of the substituents on the Si atoms influences the character of the spectra. As objects of investigation, the authors took the dichloro and dihydroxy derivatives of cyclosiloxanes with 4 to 8 Si atoms in the ring. Shown are tables of chemical shifts of protons of CH 3 groups in chloromethylcyclosiloxanes, and chemical shifts of protons of CH 3 groups in linear methylsiloxanes and chloromethylsiloxanes. Additivity was demonstrated for chemical shifts of CH 3 group protons in dichloromethylcyclosiloxanes, and the increments of chemical shift were obtained for 8-, 10-, 12-, 14-, and 16-membered rings. It was established that the chemical shifts in the spectra of the dihydroxy derivatives are nonadditive

  14. Bichromatic electromagnetically induced transparency in cold rubidium atoms

    International Nuclear Information System (INIS)

    Wang, J.; Jiang, K.J.; Zhan, M.S.; Zhu Yifu

    2003-01-01

    In a three-level atomic system coupled by two equal-amplitude laser fields with a frequency separation 2δ, a weak probe field exhibits a multiple-peaked absorption spectrum with a constant peak separation δ. The corresponding probe dispersion exhibits steep normal dispersion near the minimum absorption between the multiple absorption peaks, which leads to simultaneous slow group velocities for probe photons at multiple frequencies separated by δ. We report an experimental study in such a bichromatically coupled three-level Λ system in cold 87 Rb atoms. The multiple-peaked probe absorption spectra under various experimental conditions have been observed and compared with the theoretical calculations

  15. Theoretical evaluation of matrix effects on trapped atomic levels

    International Nuclear Information System (INIS)

    Das, G.P.; Gruen, D.M.

    1986-06-01

    We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs

  16. Theoretical calculation of saturated absorption for multilevel atoms

    International Nuclear Information System (INIS)

    O'Kane, T.J.; Scholten, R.E.; Farrell, P.M.

    1998-01-01

    We present the first theoretical saturated absorption spectra for general multi-level atoms, using a model based on extensions of the optical Bloch equations, and using Monte Carlo averaging of the absorption of individual atoms with random trajectories through a standing wave. We are for the first time able to accurately predict the merging of hyperfine and cross-over resonances due to intensity dependent phenomena such as power broadening. Results for 20-level sodium and 24-level rubidium models are presented and compared to experiment, demonstrating excellent agreement

  17. 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)

    2015-01-22

    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.

  18. High-accuracy coupled cluster calculations of atomic properties

    International Nuclear Information System (INIS)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-01

    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 −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

  19. Scaling properties of the transverse mass spectra

    International Nuclear Information System (INIS)

    Schaffner-Bielich, J.

    2002-01-01

    Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL's relativistic heavy-ion collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in m t . The transverse mass spectra for different centralities can be rescaled into each other. Finally, we demonstrate that m t -scaling is also present in proton-antiproton collider data and compare it to m t -scaling at RHIC. (orig.)

  20. IRAS low-resolution spectra of galaxies

    International Nuclear Information System (INIS)

    Cohen, M.; Volk, K.

    1989-01-01

    The spectra of external galaxies are selected and extracted from the IRAS LRS database. Twenty-one objects present viable spectra. One is a peculiar star-forming E-S0 galaxy. The remainder are all starburst or H II region galaxies. Their average spectrum demonstrates the importance of the PAH emission bands in the 8-23-micron region and reinforces the conclusion reached from ground-based spectra, that there is a strong correlation between the PAH bands and the starburst or H II region character of a galaxy. 32 refs