Institute for Nuclear Theory annual report No. 4, 1 March 1993--28 February 1994

Energy Technology Data Exchange (ETDEWEB)

Haxton, W.; Bertsch, G.; Henley, E.M.

1994-06-01

The Institute for Nuclear Theory was created as a national center by the Department of Energy. It began operations March 1, 1990. This annual report summarizes the INT`s activities during its fourth year of operations.

Annual report for 1980

International Nuclear Information System (INIS)

1980-01-01

This annual report contains extended abstracts of the work done in the named Laboratory together with a list of publications and reports. The abstracts concern deep-inelastic and transfer reactions, compound-nucleus reactions including fusion and fission, reactions with light and with polarized particles, gamma-ray spectroscopy, and coulomb excitation, atomic physics, the irradiation of biological systems, nuclear structure, nuclear reaction theory, dissipative reactions, accelerator developments, the superconducting sector-cyclotron SuSe, the synchrotron-radiation source Little Erna, detectors, technology, the on-line computer system, the online-offline programming system GOOPSY, the megachannel analyzer for the acquisition of multidimensional events MADAME, and the central monitoring and control system ZUeSS. (HSI) [de

Contributions to the theory of electron spectroscopy. Applications of the relativistic multiple-scattering theory

International Nuclear Information System (INIS)

Henk, J.

2004-01-01

Electron spectroscopy provides access to fundamental properties of solids, such as the geometric, electronic, and the magnetic structure. The latter are necessary for the understanding of a variety of basic but nevertheless important effects. The present work outlines recently developed theoretical approaches to electron spectroscopies. Most of the collected results rely on first-principles calculations, as formulated in multiple-scattering theory, and are contrasted with experimental findings. One topic involves spin- and angle-resolved photoelectron spectroscopy which is addressed for magnetic surfaces and ultrathin films. Exemplary results comprise magnetic dichroism in both valence-band and core-level photoemission as well as the temperature dependence of magnetic properties of ultrathin films. Another topic is spin-dependent ballistic transport through planar tunnel junctions, focusing here on the zero-bias anomaly. In most of the cases, spin-orbit coupling (SOC) is an essential ingredient and, hence, favors a relativistic description. Prominent effects of SOC are illustrated by means of the electronic structure of rare gases adsorbed on a substrate and by the splitting of surface states on Au(111). Concerning magnetism, the magnetic anisotropy of Ni films on Cu(001) is discussed, focusing in particular on the spin reorientation transition induced by lattice distortions in ultrathin films. (orig.)

Molecular excitation dynamics and relaxation quantum theory and spectroscopy

CERN Document Server

Valkunas, Leonas; Mancal, Tomas

2013-01-01

Meeting the need for a work that brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire field rather than just single aspects.Written by an experienced author and recognized authority in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all find this a must-have for their research. Also suitable as supplementary reading in graduate

Nuclear structure theory. Annual technical progress report, July 1, 1975--September 30, 1976

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1976-01-01

This report summarizes progress during the past year in the following areas of nuclear structure and reaction theory: Meson interactions with nucleons and nuclei, including elastic and inelastic scattering of pions, three-body theories of scattering and absorption of pions by deuterons, π-p bremsstrahlung, and multiple-excitation models for meson absorption by heavier nuclei. Studies of the inverse scattering problem including 1 S 0 nucleon-nucleon scattering; the relativistic two-body problem, particularly for relativistic effects at low energies: the unitary-pole expansion in nucleon-nucleon scattering with hard-core interactions. Statistical spectroscopy including: strength distributions and sum rules(both energy weighted and inverse energy weighted) for nuclear excitations; fluctuations and correlations in spectra, strengths and expectation values; studies of Garvey-Kelson and similar mass relationships; spectroscopy in huge spaces including spectral methods for renormalization of the interaction and for using (two + three)-body Skyrme interactions; technical aspects of operator averaging

NRL inertial confinement fusion theory program. 1979 annual report, October 1978 - December 1979

International Nuclear Information System (INIS)

1980-01-01

This is the 1979 annual report of the NRL Inertial Confinement Fusion Theory Program. It covers research performed from October 1978 through December 1979. Research in each of the four current program areas is reported: laser light absorption;fluid dynamics of ablative acceleration; development of computational techniques, and Rayleigh-Taylor stabilization techniques

Theory of L -edge spectroscopy of strongly correlated systems

Science.gov (United States)

Lüder, Johann; Schött, Johan; Brena, Barbara; Haverkort, Maurits W.; Thunström, Patrik; Eriksson, Olle; Sanyal, Biplab; Di Marco, Igor; Kvashnin, Yaroslav O.

2017-12-01

X-ray absorption spectroscopy measured at the L edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in the 3 d states. The theoretical modeling of the 2 p →3 d excitation processes remains to be challenging for contemporary ab initio electronic structure techniques, due to strong core-hole and multiplet effects influencing the spectra. In this work, we present a realization of the method combining the density-functional theory with multiplet ligand field theory, proposed in Haverkort et al. [Phys. Rev. B 85, 165113 (2012), 10.1103/PhysRevB.85.165113]. In this approach, a single-impurity Anderson model (SIAM) is constructed, with almost all parameters obtained from first principles, and then solved to obtain the spectra. In our implementation, we adopt the language of the dynamical mean-field theory and utilize the local density of states and the hybridization function, projected onto TM 3 d states, in order to construct the SIAM. The developed computational scheme is applied to calculate the L -edge spectra for several TM monoxides. A very good agreement between the theory and experiment is found for all studied systems. The effect of core-hole relaxation, hybridization discretization, possible extensions of the method as well as its limitations are discussed.

Modern spectroscopy

CERN Document Server

Hollas, J Michael

2013-01-01

The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis.  It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. A  revised and updated edition of a successful, clearly written book Includes the latest developments in modern laser techniques, such as cavity ring-down spectroscopy and femtosecond lasers Provides numerous worked examples, calculations and questions at the end of chapters.

Nuclear structure theory. Annual technical progress report, 1 July 1974--30 June 1975

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1975-01-01

Progress during the past year is summarized for the following areas of nuclear structure and reaction theory: Meson interactions with nucleons and nuclei, including inelastic scattering of pions, three-body theories of scattering and absorption of pions by deuterons, and π-p bremsstrahlung. Theory of the effective interaction, including behavior of the expansion in orders of the reaction matrix. Statistical spectroscopy including fluctuations in energy levels and excitation strengths, and sum rules and strength distributions for various excitation processes, including single-nucleon transfer, β decay and multipole giant resonances. Studies of the inverse scattering problem. Studies of nuclear symmetries, of nuclear clustering, and of general nuclear structure by α-transfer reactions, and of nuclear shapes by (d, 3 He) reactions. (U.S.)

Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?

DEFF Research Database (Denmark)

Andersson, Martin Peter; Hem, Caroline Piper; Schultz, Logan Nicholas

2014-01-01

broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also...... asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory...

Spectroscopy

DEFF Research Database (Denmark)

Berg, Rolf W.

This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

Annual report on theoretical work of the S.T.G.I. (Section de theorie des gaz ionises)

International Nuclear Information System (INIS)

1984-01-01

This report presents in a detailed form the theoretical work of the STGI (Section Theorie des Gaz Ionises). It is thus hoped that the present report will be useful for physicists interested in additional information. Works an plasma equilibrium and its evolution are shortly presented together with works on plasma heating and current drive. Kinetic theory and spectroscopy are not forgotten

Annual Report 1980

International Nuclear Information System (INIS)

1981-01-01

This Annual Report covers the activities of the Institute of the Nuclear Physics Accelerator (KVI) during the year 1980. The main lines of research are on experimental nuclear physics and on nuclear theory. The experimental work of the laboratory is centred around a large and modern, k=160 MeV AVF cyclotron that became operational at the end of 1972. The experimental work in 1980 concentrated on high-resolution nuclear structure studies via transfer reactions and inelastic scattering, on the decay properties of giant resonances, on elastic and inelastic breakup of light and heavy ions, on the investigation of continuum γ-rays, on in-beam γ-ray and conversion electron spectroscopy, and on weak interactions. Much of the theoretical work was directed towards the Interacting Boson Model (IBM). Another major effort was done on the theoretical description of relativistic heavy-ion reactions via a Boltzmann equation approach. (Auth.)

On the relation between Marcus theory and ultrafast spectroscopy of solvation kinetics

Science.gov (United States)

Roy, Santanu; Galib, Mirza; Schenter, Gregory K.; Mundy, Christopher J.

2018-01-01

The phenomena of solvent exchange control the process of solvating ions, protons, and charged molecules. Building upon our extension of Marcus' philosophy of electron transfer, we provide a new perspective of ultrafast solvent exchange mechanism around ions measurable by two-dimensional infrared (2DIR) spectroscopy. In this theory, solvent rearrangement drives an ion-bound water to an activated state of higher coordination number, triggering ion-water separation that leads to the solvent-bound state of the water molecule. This ion-bound to solvent-bound transition rate for a BF4--water system is computed using ab initio molecular dynamics and Marcus theory, and is found to be in excellent agreement with the 2DIR measurement.

[Nuclear theory: Annual report

International Nuclear Information System (INIS)

Iachello, F.; Alhassid, Y.; Kusnezov, D.

1991-01-01

This report discusses topics on : nuclear structure models; algebraic models of hadronic structure; nuclear reactions; hot rotating nuclei; chaos in nuclei; signatures of the quark-gluon plasma; hadronic spectroscopy; octupole collectivity in nuclei; finite-temperature methods for the many-body problem; and classical limit of algebraic hamiltonians

Annual Continuation And Progress Report For Nuclear Theory At Lawrence Livermore National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Ormand, W. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Quaglioni, S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Schunck, N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vogt, R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vranas, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-10-26

Nuclear Theory research under the auspices of the Department of Energy (DOE) Office of Nuclear Physics (NP) is conducted within several funding sources and projects. These include base funding, and early career award, and a collaborative SciDAC-­3 award that is jointly funded by DOE/NP and the Advanced Simulations and Computations (ASC) effort within the National Nuclear Security Agency (NNSA). Therefore, this annual report is organized within the three primary sections covering these projects.

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

1987-01-01

This annual report describes the activities carried out in 1985 by the Chemistry Department in the following fields: Chemistry, Inorganic Chemistry, Physicochemistry (Interphases, Surfaces), General Chemical Analysis, Active Materials Analysis, X Ray Fluorescence Analysis, Mass Spectroscopy (Isotopic Analysis, Instrumentation) and Optical Spectroscopy. A list of publications is enclosed. (M.E.L.) [es

Max-Planck-Institute for Nuclear Physics. Annual report 1987

International Nuclear Information System (INIS)

Klapdor, H.V.; Jessberger, E.K.

1987-01-01

This annual report contains short communications and extended abstracts about the work performed at the named institute together with a list of publications and talks. The work concerns technical developments on accelerators and ion sources, developments of detectors and experimental setups, electronics, data processing, target developments, giant resonances, nuclear spectroscopy, nuclear reaction mechanisms, atomic physics, medium- and high-energy physics, statistical models of nuclei and nuclear reactions, nuclear reactions at high energies, many-particle theory, quantum chromodynamics, meteorites, comets, interstellar dust, planetary atmospheres, cosmic radiation, molecular collisions in the earth atmosphere, nuclear geology and geochemistry, as well as archaeology. See hints under the relevant topics. (HSI)

Annual report 1981

International Nuclear Information System (INIS)

1982-01-01

In this annual report the work done at the named Institute is described. This concerns particle and fields in the solar system, infrared astronomy, X-ray astronomy, γ-astronomy, and molecule spectroscopy. A list of publications is added. (HSI)

Annual report 1974

International Nuclear Information System (INIS)

1974-01-01

In this annual report, the Institut fuer Kernphysik of the university of Frankfurt/Main gives a survey on its scientific activities in the year 1974. Research activities in this period comprised the following fields: nuclear reactions and nuclear structure, heavy ion physics, atomic collision processes, neutron diffractometry and spectroscopy, solid state particle trace detectors, methods of nuclear analysis and mass spectroscopy, ion source development, electronics and data processing, and radiation protection. Furthermore, some application-oriented interdisciplinary research projects were started. (orig./AK) [de

Introductory Raman spectroscopy

CERN Document Server

Ferraro, John R

2012-01-01

Praise for Introductory Raman Spectroscopy Highlights basic theory, which is treated in an introductory fashion Presents state-of-the-art instrumentation Discusses new applications of Raman spectroscopy in industry and research.

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

Nuclear structure theory. Annual technical progress report, October 1, 1976--September 30, 1977

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1977-01-01

This report summarizes progress during the past year in the following areas of nuclear structure and reaction theory: (1) statistical spectroscopy, including giant resonances for beta and electromagnetic excitation and sum rules (including inverse-energy-weighted sum rules), statistical methods of truncating shell model spaces and renormalization of operators, study of state labelling and ''chains'' of groups, evaluation of fluctuation measures, technical aspects of operator averaging; (2) meson interactions with nuclei, including scattering and absorption of mesons by nuclei (general methods), models for absorption, single- and double-charge exchange of pions, role of rho mesons

Electromagnetic theories of surface-enhanced Raman spectroscopy.

Science.gov (United States)

Ding, Song-Yuan; You, En-Ming; Tian, Zhong-Qun; Moskovits, Martin

2017-07-07

Surface-enhanced Raman spectroscopy (SERS) and related spectroscopies are powered primarily by the concentration of the electromagnetic (EM) fields associated with light in or near appropriately nanostructured electrically-conducting materials, most prominently, but not exclusively high-conductivity metals such as silver and gold. This field concentration takes place on account of the excitation of surface-plasmon (SP) resonances in the nanostructured conductor. Optimizing nanostructures for SERS, therefore, implies optimizing the ability of plasmonic nanostructures to concentrate EM optical fields at locations where molecules of interest reside, and to enhance the radiation efficiency of the oscillating dipoles associated with these molecules and nanostructures. This review summarizes the development of theories over the past four decades pertinent to SERS, especially those contributing to our current understanding of SP-related SERS. Special emphasis is given to the salient strategies and theoretical approaches for optimizing nanostructures with hotspots as efficient EM near-field concentrating and far-field radiating substrates for SERS. A simple model is described in terms of which the upper limit of the SERS enhancement can be estimated. Several experimental strategies that may allow one to approach, or possibly exceed this limit, such as cascading the enhancement of the local and radiated EM field by the multiscale EM coupling of hierarchical structures, and generating hotspots by hybridizing an antenna mode with a plasmonic waveguide cavity mode, which would result in an increased local field enhancement, are discussed. Aiming to significantly broaden the application of SERS to other fields, and especially to material science, we consider hybrid structures of plasmonic nanostructures and other material phases and strategies for producing strong local EM fields at desired locations in such hybrid structures. In this vein, we consider some of the numerical

Number theory via Representation theory

Indian Academy of Sciences (India)

2014-11-09

Number theory via Representation theory. Eknath Ghate. November 9, 2014. Eightieth Annual Meeting, Chennai. Indian Academy of Sciences1. 1. This is a non-technical 20 minute talk intended for a general Academy audience.

Theory of coherent Stark nonlinear spectroscopy in a three-level system

International Nuclear Information System (INIS)

Loiko, Yurii; Serrat, Carles

2007-01-01

Coherent Stark nonlinear spectroscopy (CSNS) is a spectroscopic tool based on the cancellation of the phase sensitivity at frequency 5ω in the ultrafast four-wave mixing (FWM) of two-color pulses with frequencies ω and 3ω. We develop a theory for CSNS in three-level V-type systems, and reveal that the mechanism for the phase sensitivity at 5ω is the quantum interference between the two primary paths in the FWM of the ω and 3ω fields. We find that the cancellation phenomenon occurs when the probability amplitude of one of these two primary pathways becomes equal to zero due to the competition effect between the two allowed transitions in the V-type system. The analytical expressions that describe the phase-sensitivity phenomenon and the conditions for its cancellation have been derived on the basis of perturbation theory, and are confirmed by numerical integration of the density matrix and Maxwell equations. We argue that CSNS can be utilized, in particular, for the investigation of optically dense media

Annual Report 1999

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

2000-01-01

In the presented ''Annual Report 1999'' the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Nuclear Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training and Consulting and Establishment for Nuclear Equipment). Each of these sections is preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual report 1997

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D.; Infeld, E.; Zupranski, P. [eds.

1998-12-31

In the presented ``Annual Report 1997`` the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consist of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research project (grants), PhD and DSc theses as well as the information about organized schools and exhibitions. The second one: ``Reports on Research`` describes the research activities of SINS. It is divided into 12 parts - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Atomic Nucleus Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these parts are foreworded by short overview given by the head of appropriate department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2001

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

2002-01-01

In the presented ''Annual Report 2001'' the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2000

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Preibisz, Z; Zupranski, P [eds.

2001-07-01

In the presented ''Annual Report 2000'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research projects (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given.

Annual report 1997

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Zupranski, P [eds.

1999-12-31

In the presented ``Annual Report 1997`` the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consist of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research project (grants), PhD and DSc theses as well as the information about organized schools and exhibitions. The second one: ``Reports on Research`` describes the research activities of SINS. It is divided into 12 parts - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Atomic Nucleus Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these parts are foreworded by short overview given by the head of appropriate department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2002

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Preibisz, Z; Zupranski, P [eds.

2003-07-01

In the presented ''Annual Report 2002'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consist of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given.

Annual report 1997

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Zupranski, P.

1998-01-01

In the presented ''Annual Report 1997'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consist of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research project (grants), PhD and DSc theses as well as the information about organized schools and exhibitions. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 parts - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Atomic Nucleus Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these parts are foreworded by short overview given by the head of appropriate department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2002

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

2003-01-01

In the presented ''Annual Report 2002'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consist of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2000

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

2001-01-01

In the presented ''Annual Report 2000'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research projects (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2004

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Zupranski, P [eds.

2005-07-01

In the presented ''Annual Report 2004' the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research projects (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training and Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski, is also given.

Annual Report 2004

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Zupranski, P.

2005-01-01

In the presented ''Annual Report 2004' the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research projects (grants) as well as information about PhD and DSc theses. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training and Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski, is also given

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.

Nuclear physics annual report 1987

International Nuclear Information System (INIS)

1988-01-01

The paper presents the annual report of the Schuster Laboratory, Manchester University Nuclear Physics Group, United Kingdom, 1986-7. Much of the work has been carried out at the Daresbury Nuclear Structure Facility, often in collaboration with other U.K. groups and with foreign participation. The report contains the work on: studies of light nuclei, spectroscopy of medium mass nuclei, low and high spin spectroscopy of nuclei with A ≥ 100, and the fission process. Technical developments carried out at the Laboratory are also described. (U.K.)

Microscopic theory of linear and nonlinear terahertz spectroscopy of semiconductors

Energy Technology Data Exchange (ETDEWEB)

Steiner, Johannes

2008-12-09

This Thesis presents a fully microscopic theory to describe terahertz (THz)-induced processes in optically-excited semiconductors. The formation process of excitons and other quasi-particles after optical excitation has been studied in great detail for a variety of conditions. Here, the formation process is not modelled but a realistic initial many-body state is assumed. In particular, the linear THz response is reviewed and it is demonstrated that correlated quasi-particles such as excitons and plasmons can be unambiguously detected via THz spectroscopy. The focus of the investigations, however, is on situations where the optically-excited many-body state is excited by intense THz fields. While weak pulses detect the many-body state, strong THz pulses control and manipulate the quasi-particles in a way that is not accessible via conventional techniques. The nonlinear THz dynamics of exciton populations is especially interesting because similarities and differences to optics with atomic systems can be studied. (orig.)

ESR spectroscopy and electron distribution

International Nuclear Information System (INIS)

Davies, A.G.

1997-01-01

EPR spectroscopy can map out the electron distribution in a molecule, in much the same way as proton NMR spectroscopy can map out the proton distribution, and it provides some of the most direct evidence for the principal concepts underlying the electronic theory of organic structure and mechanism. This is illustrated for phenomena of conjugation, hyper-conjugation, substituent effects in annulenes, Hueckel theory, ring strain, the Mills-Nixon effect, and ion pairing. (author)

Cavity-enhanced spectroscopies

CERN Document Server

van Zee, Roger

2003-01-01

""Cavity-Enhanced Spectroscopy"" discusses the use of optical resonators and lasers to make sensitive spectroscopic measurements. This volume is written by the researcchers who pioneered these methods. The book reviews both the theory and practice behind these spectroscopic tools and discusses the scientific discoveries uncovered by these techniques. It begins with a chapter on the use of optical resonators for frequency stabilization of lasers, which is followed by in-depth chapters discussing cavity ring-down spectroscopy, frequency-modulated, cavity-enhanced spectroscopy, intracavity spectr

Theory overview on spectroscopy

International Nuclear Information System (INIS)

Ali, Ahmed

2011-08-01

A theoretical overview of the exotic spectroscopy in the charm and beauty quark sector is presented. These states are unexpected harvest from the e + e - and hadron colliders and a permanent abode for the majority of them has yet to be found. We argue that some of these states, in particular the Y b (10890) and the recently discovered states Z b (10610) and Z b (10650), discovered by the Belle collaboration are excellent candidates for tetraquark states [bq][ anti b anti q], with q=u,d light quarks. Theoretical analyses of the Belle data carried out in the tetraquark context is reviewed. (orig.)

X-ray Absorption Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yano, Junko; Yachandra, Vittal K.

2009-07-09

This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

33rd Annual conference and the 23rd annual theoretical seminar of the South African Institute of Physics

International Nuclear Information System (INIS)

1988-01-01

The 33rd annual conference and the 23rd annual theoretical seminar of the South African Institute of Physics was held from 4-8 July 1988 at Rhodes University, Grahamstown. This publication contains only the abstracts of seminars delivered on the conference. The topics that were covered include the various facets of physics such as solid state physics, nuclear and particle physics, optics and spectroscopy, solar-terrestrial physics, eduction, and applied and industrial physics

Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

DEFF Research Database (Denmark)

Eriksen, Troels K; Karlsen, Eva; Spanget-Larsen, Jens

2015-01-01

The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers...

Advanced techniques for actinide spectroscopy (ATAS 2012). Abstract book

Energy Technology Data Exchange (ETDEWEB)

Foerstendorf, Harald; Mueller, Katharina; Steudtner, Robin [eds.

2012-07-01

The abstract book of the International workshop on advanced techniques for actinide spectroscopy (ATAS 2012) include contributions concerning the following issues: environmental applications, NMR spectroscopy, vibrational spectroscopy, X-ray spectroscopy and theory, technical application: separation processes, emission spectroscopy.

Advanced techniques for actinide spectroscopy (ATAS 2012). Abstract book

International Nuclear Information System (INIS)

Foerstendorf, Harald; Mueller, Katharina; Steudtner, Robin

2012-01-01

The abstract book of the International workshop on advanced techniques for actinide spectroscopy (ATAS 2012) include contributions concerning the following issues: environmental applications, NMR spectroscopy, vibrational spectroscopy, X-ray spectroscopy and theory, technical application: separation processes, emission spectroscopy.

ES12; The 24th Annual Workshop on Recent Developments in Electronic Structure Theory

Energy Technology Data Exchange (ETDEWEB)

Holzwarth, Natalie [Wake Forest Univ., Winston-Salem, NC (United States); Thonhauser, Timo [Wake Forest Univ., Winston-Salem, NC (United States); Salam, Akbar [Wake Forest Univ., Winston-Salem, NC (United States)

2012-06-29

ES12: The 24th Annual Workshop on Recent Developments in Electronic Structure Theory was held June 5-8, 2012 at Wake Forest University in Winston-Salem, NC 27109. The program consisted of 24 oral presentations, 70 posters, and 2 panel discussions. The attendance of the Workshop was comparable to or larger than previous workshops and participation was impressively diverse. The 136 participants came from all over the world and included undergraduate students, graduate students, postdoctoral researchers, and senior scientists. The general assessment of the Workshop was extremely positive in terms of the high level of scientific presentations and discussions, and in terms of the schedule, accommodations, and affordability of the meeting.

31st Annual conference and the 21st annual theoretical seminar of the South African Institute of Physics

International Nuclear Information System (INIS)

1986-01-01

The 31st annual conference and the 21st annual theoretical seminar of the South African Institute of Physics was held from 7-11 July 1986 at the Rand Afrikaans University, Johannesburg. This publication contains only the abstracts of seminars delivered on the conference. The topics that were covered include the various facets of physics such as solid state physics, nuclear and particle physics, optics and spectroscopy, solar-terrestrial physics, education, and applied and industrial physics

32nd Annual conference and the 22nd annual theoretical seminar of the South African Institute of Physics

International Nuclear Information System (INIS)

1987-01-01

The 32nd annual conference and the 22nd annual theoretical seminar of the South African Institute of Physics was held from 13-17 July 1987 at the University of Natal, Durban. This publication contains only the abstracts of seminars delivered on the conference. The topics that were covered include the various facets of physics such as solid state physics, nuclear and particle physics, optics and spectroscopy, solar-terrestrial physics, education, and applied and industial physics

X-ray absorption and X-ray emission spectroscopy theory and applications

CERN Document Server

Lamberti, Carlo

2016-01-01

During the last two decades, remarkable and often spectacular progress has been made in the methodological and instrumental aspects of x–ray absorption and emission spectroscopy. This progress includes considerable technological improvements in the design and production of detectors especially with the development and expansion of large-scale synchrotron reactors All this has resulted in improved analytical performance and new applications, as well as in the perspective of a dramatic enhancement in the potential of x–ray based analysis techniques for the near future. This comprehensive two-volume treatise features articles that explain the phenomena and describe examples of X–ray absorption and emission applications in several fields, including chemistry, biochemistry, catalysis, amorphous and liquid systems, synchrotron radiation, and surface phenomena. Contributors explain the underlying theory, how to set up X–ray absorption experiments, and how to analyze the details of the resulting spectra. X-R...

Electronic Structure of the Organic Semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from Soft X-ray Spectroscopies and Density Functional Theory Calculations

Energy Technology Data Exchange (ETDEWEB)

DeMasi, A.; Piper, L; Zhang, Y; Reid, I; Wang, S; Smith, K; Downes, J; Pelkekis, N; McGuinness, C; Matsuura, A

2008-01-01

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq3) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq3, and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.

Electronic structure of the organic semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations.

Science.gov (United States)

DeMasi, A; Piper, L F J; Zhang, Y; Reid, I; Wang, S; Smith, K E; Downes, J E; Peltekis, N; McGuinness, C; Matsuura, A

2008-12-14

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq(3)) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq(3), and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.

Annual Report 2003

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

2004-01-01

In the presented ''Annual Report 2003'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses and the organized by SINS conferences and workshops. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training and Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 1998

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Preibisz, Z; Zupranski, P [eds.

1999-10-01

In the presented ``Annual Report 1998`` the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research project (grants), PhD and DSc theses as well as the information about organized schools and exhibitions. The second one: ``Reports on Research`` describes the research activities of SINS. It is divided into 12 parts - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Nuclear Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these parts are preceded by a short overview given by the head of the given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 1998

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Preibisz, Z.; Zupranski, P.

1999-01-01

In the presented ''Annual Report 1998'' the scientific, organizational and educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, department of SINS, scientific staff, visiting scientists, list of research project (grants), PhD and DSc theses as well as the information about organized schools and exhibitions. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 parts - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Nuclear Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Department of Training an Consulting and Establishment for Nuclear Equipment). Each of these parts are preceded by a short overview given by the head of the given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given

Annual Report 2003

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D; Infeld, E; Preibisz, Z; Zupranski, P [eds.

2004-07-01

In the presented ''Annual Report 2003'' the scientific, organizational end educational activities of the Andrzej Soltan Institute for Nuclear Studies (SINS) are presented. The document is divided into two parts. First of them consists of the general information about management, scientific council, departments of SINS, scientific staff, visiting scientists, list of research project (grants) as well as information about PhD and DSc theses and the organized by SINS conferences and workshops. The second one: ''Reports on Research'' describes the research activities of SINS. It is divided into 12 sections - in which the works of SINS departments and establishments are presented (Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Detectors and Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Ray Physics, Department of Nuclear Theory, Department of Material Studies, Department of Accelerator Physics and Technology, Department of Training and Consulting and Establishment for Nuclear Equipment). Each of these sections are preceded by short overview given by the head of given department. The foreword, in which the whole activities of the SINS are summarized, given by head of the Institute professor Z. Sujkowski is also given.

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

Energy Technology Data Exchange (ETDEWEB)

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. (GHT)

Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory.

Science.gov (United States)

Delaney, Sean P; Witko, Ewelina M; Smith, Tiffany M; Korter, Timothy M

2012-08-02

Terahertz spectroscopy is sensitive to the interactions between molecules in the solid-state and recently has emerged as a new analytical tool for investigating polymorphism. Here, this technique is applied for the first time to the phenomenon of tautomeric polymorphism where the crystal structures of anthranilic acid (2-aminobenzoic acid) have been investigated. Three polymorphs of anthranilic acid (denoted Forms I, II and III) were studied using terahertz spectroscopy and the vibrational modes and relative polymorph stabilities analyzed using solid-state density functional theory calculations augmented with London dispersion force corrections. Form I consists of both neutral and zwitterionic molecules and was found to be the most stable polymorph as compared to Forms II and III (both containing only neutral molecules). The simulations suggest that a balance between steric interactions and electrostatic forces is responsible for the favoring of the mixed neutral/zwitterion solid over the all neutral or all zwitterion crystalline arrangements.

Group theory for chemists fundamental theory and applications

CERN Document Server

Molloy, K C

2010-01-01

The basics of group theory and its applications to themes such as the analysis of vibrational spectra and molecular orbital theory are essential knowledge for the undergraduate student of inorganic chemistry. The second edition of Group Theory for Chemists uses diagrams and problem-solving to help students test and improve their understanding, including a new section on the application of group theory to electronic spectroscopy.Part one covers the essentials of symmetry and group theory, including symmetry, point groups and representations. Part two deals with the application of group theory t

Annual report 1992 of the Tandem Accelerator Center, University of Tsukuba

International Nuclear Information System (INIS)

1993-10-01

This annual report includes the research activities and the technical developments carried out at the Tandem Accelerator Center in University of Tsukuba for the period from April 1992 to March 1993. New experimental investigations were made on (1) nuclear spectroscopy was initiated by a new γ ray spectrometer; (2) polarization phenomena in nuclear reactions; (3) the application of energetic heavy ions to solid state physics; (4) the behavior of self interstitial atoms and its migration mechanism in Mo metal (5) the studies on electronic conduction of metal oxides and bronzes by NMR; (6) Moessbauer studies on Fe-Cr alloy and the RBS analysis of YBCO superconductor films; and (7) a new field was challenged on the micro cluster physics. Nuclear collective motion and the relativistic mean-field theory is also included in this report. (J.P.N.)

The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory

International Nuclear Information System (INIS)

Nilsson, A.; Ogasawara, H.; Cavalleri, M.; Nordlund, D.; Nyberg, M.; Wernet, Ph.; Pettersson, L.G.M.

2005-01-01

We combine photoelectron and x-ray absorption spectroscopy with density functional theory to derive a molecular orbital picture of the hydrogen bond in ice. We find that the hydrogen bond involves donation and back-donation of charge between the oxygen lone pair and the O-H antibonding orbitals on neighboring molecules. Together with internal s-p rehybridization this minimizes the repulsive charge overlap of the connecting oxygen and hydrogen atoms, which is essential for a strong attractive electrostatic interaction. Our joint experimental and theoretical results demonstrate that an electrostatic model based on only charge induction from the surrounding medium fails to properly describe the internal charge redistributions upon hydrogen bonding

2. Semi-annual progress report 1980, no 17

International Nuclear Information System (INIS)

1981-01-01

This semi-annual report deals with the experimental research carried out at the Departement de Recherche Fondamentale de Grenoble (fission, nuclear spectroscopy, heavy ion reactions, physical metallurgy, magnetism, organic molecules, theoretical chemistry, molecular physical chemistry, cellular biology, vegetal biology) [fr

NUCLEAR CHEMISTRY ANNUAL REPORT 1970

Energy Technology Data Exchange (ETDEWEB)

Authors, Various

1971-05-01

Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

IKF - annual report 1982

International Nuclear Information System (INIS)

Schmidt-Boecking, H.; Steuer, E.

This annual report contains extended abstracts about the work performed in the named institute during 1982 together with a list of publications. The work concerns nuclear structure and nuclear reactions, high-energetic heavy ion physics, heavy ion-atom collisions, nuclear solidstate physics, solid-state particle detectors, the application of nuclear methods and mass spectroscopy, ion source development, instrumental development and data processing, interdisciplinary cooperation, as well as the Van de Graaf accelerator facilities. (HSI) [de

Laser-induced breakdown spectroscopy theory and applications

CERN Document Server

Perini, Umberto

2014-01-01

This book deals with the Laser-Induced Breakdown Spectroscopy (LIBS), a widely used atomic emission spectroscopy technique for elemental analysis of materials. It is based on the use of a high-power, short pulse laser excitation. The book is divided into two main sections: the first one concerning theoretical aspects of the technique, the second one describing the state of the art in applications of the technique in different scientific/technological areas. Numerous examples of state of the art applications provide the readers an almost complete scenario of the LIBS technique. The LIBS theoretical aspects are reviewed. The book helps the readers who are less familiar with the technique to understand the basic principles. Numerous examples of state of the art applications give an almost complete scenario of the LIBS technique potentiality. These examples of applications may have a strong impact on future industrial utilization. The authors made important contributions to the development of this field.

Kernforschungsanlage Juelich, Institut fuer Kernphysik: Annual report 1983

International Nuclear Information System (INIS)

Baur, G.; Mayer-Boericke, C.; Schult, O.; Seyfarth, H.; Speth, J.; Turek, P.

1984-04-01

This annual report contains extended abstracts of the work performed at the named institute together with a list of publications. The abstracts deal with nuclear reactions, nuclear spectroscopy, atomic collisions, solar energy, and technical developments. See hints under the relevant topics. (HSI) [de

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

Science.gov (United States)

Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

2014-05-22

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

Foundations of laser spectroscopy

CERN Document Server

Stenholm, Stig

2005-01-01

A simple presentation of the theoretical foundations of steady-state laser spectroscopy, this text helps students to apply theory to calculations with a systematic series of examples and exercises. 1984 edition.

Annual Report 1981

International Nuclear Information System (INIS)

1982-01-01

This Annual Report covers the activities at the Kernfysisch Versneller Instituut (KVI) during the year 1981. It contains 74 short reports grouped under the headings: inelastic scattering studies, transfer and charge-exchange reactions, breakup reactions and fission studies, heavy-ion reactions, gamma, electron and X-ray spectroscopy, hyperfine interactions and nuclear orientation, weak interactions, IBA related studies, other theoretical studies, cyclotron and beam lines, data acquisition and data analysis, instrumentation and electronics and medical physics. Details are also presented of the personnel, scientific publications, internal reports, and attended and internal conferences and seminars. (C.F.)

Joint annual report 1982

International Nuclear Information System (INIS)

Hennig, K.

1983-06-01

Results of research work carried out at the ZfK Rossendorf and other GDR institutions working in the field of nuclear physics are presented in individual summaries covering the following topics: nuclear reactions, spectroscopy and theory, applied methods of nuclear physics, accelerators, nuclear electronics

Annual report of the Tandem Accelerator Center, University of Tsukuba

International Nuclear Information System (INIS)

Furuno, K.; Shima, K.; Komatsubara, T.

1992-09-01

This annual report includes the research activities and the technical developments carried out at the Tandem Accelerator Center in University of Tsukuba for the period from April 1991 to March 1992. Research activities covered the following subjects. Experimental investigations were made on 1) nuclear spectroscopy of high-spin rotational states and high-spin isomers in odd-odd nuclei, anomalous Fermi-coupling constant in the β decay of 35 Ar and the search for new isotopes around the mass number 90; 2) polarization phenomena in nuclear reactions; 3) the application of energetic heavy ions to solid state physics; 4) the properties of defects in metal produced by proton irradiation; 5) the magnetic properties of LiVO 2 by NMR; 6) off line Moessbauer studies; and 7) the mechanism of micro-cluster formation at the surface of material by heavy-ion bombardment. Theoretical work pertinent to the nuclear collective motion and the relativistic mean-field theory is also included in this report. (J.P.N.)

Spectroscopy Division : Annual progress report for 1973-74

International Nuclear Information System (INIS)

1974-01-01

Research and development activities (during 1973-74) of the Spectroscopy Division of the Bhabha Atomic Research Centre, Bombay are reviewed. From the point of view of nuclear science and technology, a special mention may be made of the following: (1) development of highly sensitive emission spectrographic methods for determination of boron in uranium and its compounds (ii) development of x-ray fluorescence analytic method for analysis of ZrO 2 , rare earths and thorium (iii) spectral studies of rare earth ions in crystals and (iv) development of isotopic analytical method for determining the abundances of boron isotopes. (M.G.B.)

Molecular ions, Rydberg spectroscopy and dynamics

International Nuclear Information System (INIS)

Jungen, Ch.

2015-01-01

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering

Molecular ions, Rydberg spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Jungen, Ch. [Laboratoire Aimé Cotton, Université de Paris-Sud, 91405 Orsay (France)

2015-01-22

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering.

Joint annual report 1980

International Nuclear Information System (INIS)

Hohmuth, K.

1981-05-01

Results of research work carried out at the ZfK Rossendorf in 1980 are presented in individual summaries covering the following topics: nuclear reactions, nuclear spectroscopy, nuclear theory, applied methods of nuclear physics, accelerators, nuclear electronics and methods, and computer codes. A list of publications is included

Joint annual report 1979

International Nuclear Information System (INIS)

Hohmuth, K.

1980-05-01

Results of research work carried out at the ZfK Rossendorf in 1979 are presented in individual summaries covering the following topics: nuclear reactions, nuclear spectroscopy, nuclear theory, applied methods of nuclear physics, accelerators, nuclear electronics and methods, and computer codes. A list of publications is included

Annual report 1982. Annex

International Nuclear Information System (INIS)

This is the scientific annual report 1982 of the ILL on R and D activities of the different colleges: fundamental and nuclear physics, inelastic scattering in simple solids, crystallographic and magnetic structures, fluids and amorphous substances, imperfections, biology, chemistry, theory. Abstracts of the publications published during the year are presented

Nuclear physics annual report 1986

International Nuclear Information System (INIS)

1986-01-01

The paper is the annual report of Manchester University Nuclear Physics Group, 1985/6. The bulk of the work has been carried out at the Nuclear Structure Facility, often in collaboration with other groups. The research programme topics include: high spin states, nuclei far from stability, reactions and fission, spectroscopy and related subjects, and technical developments. The experiments associated with these topics are described, together with the results of the investigations. (UK)

Test of special relativity theory by means of laser spectroscopy on relativistic 7Li+ ions in the ESR

International Nuclear Information System (INIS)

Botermann, Benjamin

2012-01-01

The invariance under Lorentz transformation of the laws of physics is a fundamental postulate of modern physics and all theories of the fundamental interactions have been stated in a covariant form. Although the theory of Special Relativity (SR) has been tested and confirmed with high accuracy in a large number of experiments, improved tests are of fundamental interest due to the far-reaching relevance of this postulate. Additionally modern attempts of a unified description of the four fundamental interactions point to possible violations of Lorentz invariance. In this context experiments of the Ives-Stilwell type for a test of time dilation play an important role. High resolution laser spectroscopy is applied on relativistic particle beams to investigate the validity of the relativistic Doppler formula - and therefore of the time dilation factor γ. In the course of this thesis an Ives-Stilwell experiment was performed with 7 Li + ions at a velocity of 34 % of the speed of light, which were stored at the experimental storage ring (ESR) of the GSI Helmholtzzentrum fuer Schwerionenforschung. The techniques of Λ- as well as saturation spectroscopy were employed on the 1s2s 3 S 1 →1s2p 3 P 2 transition. By a computer based analysis of the fluorescence detection system and utilization of appropriate edge filters the signal to noise ratio was decisively improved and the application of an additional pump laser allowed for the observation of a saturation signal for the first time. The frequency stability of both laser systems was specified by means of a frequency comb to obtain the highest possible accuracy. The data from the beam times were analyzed in the frameworks of the Robertson-Mansouri-Sexl test theory (RMS) and the Standard Model Extension (SME) and the corresponding upper limits of the relevant test parameters of the assigned theories were calculated. The upper limit of the parameter α was improved by a factor of 4 compared to earlier measurements performed

Annual report 1982

International Nuclear Information System (INIS)

This annual report describes the work during 1982 of the Nuclear Physics Institute of Lyon. The achievement of SARA postaccelerator in Grenoble, realized in collaboration with the Nuclear Science Institute, permits to pursue new lines of research in heavy ion physics. A new isotope separator was realized by the nuclear spectroscopy group and the high energy experimental group cooperates with the LAPP to build in international collaboration the L3 detector for LEP. The topics covered include theoretical physics, high energy and intermediate energy physics, nuclear physics and interdisciplinary physics, such as solid state physics and neutronics [fr

1992 Annual report

International Nuclear Information System (INIS)

1993-01-01

Annual report of the Institut de Physique Nucleaire at Orsay (France). The main themes are presented. Concerning experimental research: nuclear structure, ground states and low energy excited states, high excitation energy nuclear states, nuclear matter and nucleus-nucleus collision, intermediate energy nuclear physics, radiochemistry, inter-disciplinary research, scientific information and communication; concerning theoretical physics: particles and fields (formal aspects and hadronic physics), chaotic systems and semi-classical methods, few body problems, nucleus-nucleus scattering, nucleus spectroscopy and clusters, statistical physics and condensed matter; concerning general activities and technological research: accelerators, detectors, applications in cryogenics, data processing, Isolde and Orion equipment

Joint annual report 1981

International Nuclear Information System (INIS)

Hohmuth, K.

1982-10-01

Results of research work carried out at the ZfK Rossendorf and other scientific institutions of the GDR in 1981 are presented in individual summaries covering the following topics: nuclear reactions, nuclear spectroscopy, nuclear theory, applied methods of nuclear physics, accelerators, nuclear electronics, computer programs. A list of publications is included

Theory for electrochemical impedance spectroscopy of ...

Indian Academy of Sciences (India)

Shweta Dhillon

generalize phenomenological theory for the Randles-Ershler admittance at the electrode with double layer capacitance ..... impedance (equation 12) curves accounting for the elec- ..... R.K. thanks University of Delhi for the financial support.

On the sensitivity of annual streamflow to air temperature

Science.gov (United States)

Milly, Paul C.D.; Kam, Jonghun; Dunne, Krista A.

2018-01-01

Although interannual streamflow variability is primarily a result of precipitation variability, temperature also plays a role. The relative weakness of the temperature effect at the annual time scale hinders understanding, but may belie substantial importance on climatic time scales. Here we develop and evaluate a simple theory relating variations of streamflow and evapotranspiration (E) to those of precipitation (P) and temperature. The theory is based on extensions of the Budyko water‐balance hypothesis, the Priestley‐Taylor theory for potential evapotranspiration ( ), and a linear model of interannual basin storage. The theory implies that the temperature affects streamflow by modifying evapotranspiration through a Clausius‐Clapeyron‐like relation and through the sensitivity of net radiation to temperature. We apply and test (1) a previously introduced “strong” extension of the Budyko hypothesis, which requires that the function linking temporal variations of the evapotranspiration ratio (E/P) and the index of dryness ( /P) at an annual time scale is identical to that linking interbasin variations of the corresponding long‐term means, and (2) a “weak” extension, which requires only that the annual evapotranspiration ratio depends uniquely on the annual index of dryness, and that the form of that dependence need not be known a priori nor be identical across basins. In application of the weak extension, the readily observed sensitivity of streamflow to precipitation contains crucial information about the sensitivity to potential evapotranspiration and, thence, to temperature. Implementation of the strong extension is problematic, whereas the weak extension appears to capture essential controls of the temperature effect efficiently.

Large volumes and spectroscopy of walking theories

DEFF Research Database (Denmark)

Del Debbio, L.; Lucini, B.; Patella, A.

2016-01-01

A detailed investigation of finite-size effects is performed for SU(2) gauge theory with two fermions in the adjoint representation, which previous lattice studies have shown to be inside the conformal window. The system is investigated with different spatial and temporal boundary conditions...... and the spatial lattice size L satisfy the relation LMPS≥15. This bound, which is at least a factor of three higher than what is observed in QCD, is a likely consequence of the different spectral signatures of the two theories, with the scalar isosinglet (0++ glueball) being the lightest particle in our model....... In addition to stressing the importance of simulating large lattice sizes, our analysis emphasizes the need to understand quantitatively the full spectrum of the theory rather than just the spectrum in the mesonic isotriplet sector. While for the lightest fermion measuring masses from gluonic operators proves...

Covariance J-resolved spectroscopy: Theory and application in vivo.

Science.gov (United States)

Iqbal, Zohaib; Verma, Gaurav; Kumar, Anand; Thomas, M Albert

2017-08-01

Magnetic resonance spectroscopy (MRS) is a powerful tool capable of investigating the metabolic status of several tissues in vivo. In particular, single-voxel-based 1 H spectroscopy provides invaluable biochemical information from a volume of interest (VOI) and has therefore been used in a variety of studies. Unfortunately, typical one-dimensional MRS data suffer from severe signal overlap and thus important metabolites are difficult to distinguish. One method that is used to disentangle overlapping resonances is the two-dimensional J-resolved spectroscopy (JPRESS) experiment. Due to the long acquisition duration of the JPRESS experiment, a limited number of points are acquired in the indirect dimension, leading to poor spectral resolution along this dimension. Poor spectral resolution is problematic because proper peak assignment may be hindered, which is why the zero-filling method is often used to improve resolution as a post-processing step. However, zero-filling leads to spectral artifacts, which may affect visualization and quantitation of spectra. A novel method utilizing a covariance transformation, called covariance J-resolved spectroscopy (CovJ), was developed in order to improve spectral resolution along the indirect dimension (F 1 ). Comparison of simulated data demonstrates that peak structures remain qualitatively similar between JPRESS and the novel method along the diagonal region (F 1 = 0 Hz), whereas differences arise in the cross-peak (F 1 ≠0 Hz) regions. In addition, quantitative results of in vivo JPRESS data acquired on a 3T scanner show significant correlations (r 2 >0.86, pCOVariance Spectral Evaluation of 1 H Acquisitions using Representative prior knowledge' (Cov-SEHAR), was developed in order to quantify γ-aminobutyric acid and glutamate from the CovJ spectra. These preliminary findings indicate that the CovJ method may be used to improve spectral resolution without hindering metabolite quantitation for J-resolved spectra

33th all-union conference on nuclear spectroscopy and atomic nucleus structure

International Nuclear Information System (INIS)

Adam, J.; Bem, P.

1984-01-01

The 33rd All-Union Conference on Nuclear Spectroscopy and the Atomic Nucleus Structure was held in Moscow from April 19 to 22. The plenary session heard 5 papers which summed up the results of extensive programmes of theoretical and experimental research. More than two thirds of the conference were held in parallel sessions: Properties of Concrete Nuclei, Nuclear Reactions (theory, experiment), Theory of the Nucleus, Mechanisms of Alpha-, Beta- and Gamma Processes, Nuclear Spectroscopy Techniques and Applied Nuclear Spectroscopy. (B.S.)

2012 ELECTRONIC SPECTROSCOPY & DYNAMICS GORDON RESEARCH CONFERENCE, JULY 22-27, 2012

Energy Technology Data Exchange (ETDEWEB)

Kohler, Bern

2012-07-27

Topics covered in this GRC include high-resolution spectroscopy, coherent electronic energy transport in biology, excited state theory and dynamics, excitonics, electronic spectroscopy of cold and ultracold molecules, and the spectroscopy of nanostructures. Several sessions will highlight innovative techniques such as time-resolved x-ray spectroscopy, frequency combs, and liquid microjet photoelectron spectroscopy that have forged stimulating new connections between gas-phase and condensed-phase work.

Annual report of the Tandem Accelerator Center, University of Tsukuba. April 1, 1995 - March 31, 1996

International Nuclear Information System (INIS)

1996-10-01

This annual report includes the research activities from April, 1995 to March, 1996. The 12 UD Pelletron tandem accelerator has been operated successfully to provide sufficient beam time for experiments. The stable operation of the accelerator brought out steady advances in many investigations continued as long range projects. Those are polarization phenomena in nuclear reactions, the nonresonant breakup of Li-7, further refinement of continuum discretized coupled channels theory, fusion and fission in heavy ion reactions, nuclear structure physics by means of in-beam γ ray spectroscopy, solid state physics using fast ion beams, Moessbauer effect, NMR, and the application of accelerated ion beams to PIXE and accelerator mass spectrometry. As the new developments of experimental instruments, an ion source for micro-cluster beams and a pulsing system for low velocity cluster ions have been successfully constructed. A beam line producing proton micro-beam has been constructed. In this report, the accelerator and experimental facilities, the experiments and theories of nuclear physics, atomic and solid state physics, ion beam applications, publications, theses and seminars, and personnel are reported. (K.I.)

Combining linear polarization spectroscopy and the Representative Layer Theory to measure the Beer-Lambert law absorbance of highly scattering materials.

Science.gov (United States)

Gobrecht, Alexia; Bendoula, Ryad; Roger, Jean-Michel; Bellon-Maurel, Véronique

2015-01-01

Visible and Near Infrared (Vis-NIR) Spectroscopy is a powerful non destructive analytical method used to analyze major compounds in bulk materials and products and requiring no sample preparation. It is widely used in routine analysis and also in-line in industries, in-vivo with biomedical applications or in-field for agricultural and environmental applications. However, highly scattering samples subvert Beer-Lambert law's linear relationship between spectral absorbance and the concentrations. Instead of spectral pre-processing, which is commonly used by Vis-NIR spectroscopists to mitigate the scattering effect, we put forward an optical method, based on Polarized Light Spectroscopy to improve the absorbance signal measurement on highly scattering samples. This method selects part of the signal which is less impacted by scattering. The resulted signal is combined in the Absorption/Remission function defined in Dahm's Representative Layer Theory to compute an absorbance signal fulfilling Beer-Lambert's law, i.e. being linearly related to concentration of the chemicals composing the sample. The underpinning theories have been experimentally evaluated on scattering samples in liquid form and in powdered form. The method produced more accurate spectra and the Pearson's coefficient assessing the linearity between the absorbance spectra and the concentration of the added dye improved from 0.94 to 0.99 for liquid samples and 0.84-0.97 for powdered samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Safranin-O dye in the ground state. A study by density functional theory, Raman, SERS and infrared spectroscopy

Science.gov (United States)

Lofrumento, C.; Arci, F.; Carlesi, S.; Ricci, M.; Castellucci, E.; Becucci, M.

2015-02-01

The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311 + G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.

Feedback System Theory

Science.gov (United States)

1978-11-01

R 2. GOVT A $ SION NO. 3 RIEqLPýIVT’S.;TALOG NUMBER r/ 4. TITLE (and wbiFflT, -L M4 1 , FEEDBACK SYSTEM THEORY ~r Inter in- 6. PERFORMING ORG. REPORT...ANNUAL REPORT FEEDBACK SYSTEM THEORY AFOSR GRANT NO. 76-2946B Air Force Office of Scientific Research for year ending October 31, 1978 79 02 08 L|I...re less stringent than in other synthesis techniques which cannot handle significant parameter uncertainty. _I FEEDBACK SYSTEM THEORY 1. Introduction

Institut fuer Kernchemie, Univ. Mainz. Annual report 1983

International Nuclear Information System (INIS)

Weber, M.

1984-01-01

This annual report contains extended abstracts about the work performed at the named institute together with a list of publications and speeches. The work concern fast chemical separations, the detection of short-lived nuclides, mass separations, nuclear spectroscopy, nuclear fission, heavy ion research, superheavy elements, radionuclide ecology, and the operation of the TRIGA Mainz reactor. (HSI) [de

Theory of inelastic scattering and absorption of X-rays

CERN Document Server

Veenendaal, Michel van

2015-01-01

This comprehensive, self-contained guide to X-ray spectroscopy will equip you with everything you need to begin extracting the maximum amount of information available from X-ray spectra. Key topics such as the interaction between X-rays and matter, the basic theory of spectroscopy, and selection and sum rules, are introduced from the ground up, providing a solid theoretical grounding. The book also introduces core underlying concepts such as atomic structure, solid-state effects, the fundamentals of tensor algebra and group theory, many-body interactions, scattering theory, and response functions, placing spectroscopy within a broader conceptual framework, and encouraging a deep understanding of this essential theoretical background. Suitable for graduate students, researchers, materials scientists and optical engineers, this is the definitive guide to the theory behind this powerful and widely used technique.

The Second Annual Student Scientific-Practical Conference in memory of M.Y. Kondratyev “Social Psychology: Issues of Theory and Practice”

Directory of Open Access Journals (Sweden)

Babanin P.A.

2017-07-01

Full Text Available The present report contains the report on the work of the Second Annual Student Scientific-Practical Conference in Memory of M.Y. Kondratyev «Social Psychology: Issues of Theory and Practice». The conference was attended by the undergraduate and graduate students of MSUPE who submitted the reports, which reflected modern trends in the study of socialization of the individual, optimization of motivation in learning and professional activity, harmonization of interpersonal and intergroup relations in various spheres of life of a modern man.

Image correlation spectroscopy: mapping correlations in space, time, and reciprocal space.

Science.gov (United States)

Wiseman, Paul W

2013-01-01

This chapter presents an overview of two recent implementations of image correlation spectroscopy (ICS). The background theory is presented for spatiotemporal image correlation spectroscopy and image cross-correlation spectroscopy (STICS and STICCS, respectively) as well as k-(reciprocal) space image correlation spectroscopy (kICS). An introduction to the background theory is followed by sections outlining procedural aspects for properly implementing STICS, STICCS, and kICS. These include microscopy image collection, sampling in space and time, sample and fluorescent probe requirements, signal to noise, and background considerations that are all required to properly implement the ICS methods. Finally, procedural steps for immobile population removal and actual implementation of the ICS analysis programs to fluorescence microscopy image time stacks are described. Copyright © 2013 Elsevier Inc. All rights reserved.

Annual report 1981

International Nuclear Information System (INIS)

1982-01-01

This progress report reviews the research activities in the Institute of Nuclear Sciences for the year 1981; in experimental nuclear physics: nuclear spectroscopy, giant resonances, reaction processes, weak interactions, perinuclear research. In nuclear theory, studies were carried out on nuclear structure, nuclear reactions and the 3 quarks bound states problem. The setting-up of Sara facilities was going on the whole year through and the first beams are now accelerated [fr

Femtosecond Broadband Stimulated Raman Spectroscopy

International Nuclear Information System (INIS)

Lee, Soo-Y; Yoon, Sagwoon; Mathies, Richard A

2006-01-01

Femtosecond broadband stimulated Raman spectroscopy (FSRS) is a new technique where a narrow bandwidth picosecond Raman pump pulse and a red-shifted broadband femtosecond Stokes probe pulse (with or without time delay between the pulses) act on a sample to produce a high resolution Raman gain spectrum with high efficiency and speed, free from fluorescence background interference. It can reveal vibrational structural information and dynamics of stationary or transient states. Here, the quantum picture for femtosecond broadband stimulated Raman spectroscopy (FSRS) is used to develop the semiclassical coupled wave theory of the phenomenon and to derive an expression for the measurable Raman gain in FSRS. The semiclassical theory is applied to study the dependence of lineshapes in FSRS on the pump-probe time delay and to deduce vibrational dephasing times in cyclohexane in the ground state

Annual report to the Laser Facility Committee 1978

International Nuclear Information System (INIS)

1978-01-01

The report is in sections, as follows: the development of the facility (glass laser physics and development, performance and reliability of the glass laser, computer control, target fabrication, target area, optical design, gas laser development); single beam interaction studies (optical and magnetic measurements, X-ray and VUV spectroscopy, optical emission studies, particle emission measurements, gas breakdown observations, related theoretical and computational studies); two beam compression studies (vacuum ultra violet and X-ray spectroscopy, optical spectroscopy, particle emission studies, optical and magnetic measurements, theory and computational modelling). (U.K.)

Lattice gauge theories

International Nuclear Information System (INIS)

Petronzio, R.

1992-01-01

Lattice gauge theories are about fifteen years old and I will report on the present status of the field without making the elementary introduction that can be found in the proceedings of the last two conferences. The talk covers briefly the following subjects: the determination of α s , the status of spectroscopy, heavy quark physics and in particular the calculation of their hadronic weak matrix elements, high temperature QCD, non perturbative Higgs bounds, chiral theories on the lattice and induced theories

Atomic and molecular spectroscopy basic concepts and applications

CERN Document Server

Kakkar, Rita

2015-01-01

Spectroscopy is the study of electromagnetic radiation and its interaction with solid, liquid, gas and plasma. It is one of the widely used analytical techniques to study the structure of atoms and molecules. The technique is also employed to obtain information about atoms and molecules as a result of their distinctive spectra. The fast-spreading field of spectroscopic applications has made a noteworthy influence on many disciplines, including energy research, chemical processing, environmental protection and medicine. This book aims to introduce students to the topic of spectroscopy. The author has avoided the mathematical aspects of the subject as far as possible; they appear in the text only when inevitable. Including topics such as time-dependent perturbation theory, laser action and applications of Group Theory in interpretation of spectra, the book offers a detailed coverage of the basic concepts and applications of spectroscopy.

Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

International Nuclear Information System (INIS)

Wdowik, U.D.; Twardowska, A.; Mȩdala-Wa̧sik, M.

2015-01-01

Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti_3SiC_2 as the major phase and TiSi_2, TiC_x, and Ti_5Si_3/Ti_5Si_3C_x impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC_x and Ti_5Si_3C_x Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

Annual meeting of the Advanced Light Source Users' Association

International Nuclear Information System (INIS)

1994-03-01

This report contains discussions on: Welcome to the annual meeting of the ALS User's Association; overview of the ALS; the ALS into the 21st century; report from the DOE; scientific program at the ALS; plans for industrial use of the ALS; progress in beamline commissioning and overview of new projects; ALS user program; the fluorescent x-ray microprobe beamline at the ALS; the early days of x-ray optics; high-resolution soft x-ray spectroscopy; soft x-ray emission spectroscopy; x-ray dichroism; and application of VUV undulator beamline to chemical dynamics at the ALS

Dark spectroscopy at lepton colliders

Science.gov (United States)

Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi

2018-03-01

Rich and complex dark sectors are abundant in particle physics theories. Here, we propose performing spectroscopy of the mass structure of dark sectors via mono-photon searches at lepton colliders. The energy of the mono-photon tracks the invariant mass of the invisible system it recoils against, which enables studying the resonance structure of the dark sector. We demonstrate this idea with several well-motivated models of dark sectors. Such spectroscopy measurements could potentially be performed at Belle II, BES-III and future low-energy lepton colliders.

Highlights of meson spectroscopy: an experimental overview

International Nuclear Information System (INIS)

Gianotti, Paola

2011-01-01

Quantum Chromodynamics is the theory of the strong interaction, but the properties of hadrons cannot be directly calculated from the QCD Lagrangian. Alternative approaches are then used: Lattice QCD, Effective Field Theories, Quark Models. To test these different approaches, precise measurements of hadron properties are needed. This is the main motivation of the hadron spectroscopy program carried out since many years with different probes in different environments. Recently, the majority of the new results have been obtained using e + e - colliders by experiments like BaBar, Belle, BES, CLEO. These, on one hand, have determined big progresses in the field, while, on the other hand, have discovered a large number of states with properties that cannot be easily and exhaustively explained by any theory. In this review, I will make an excursus through the recent experimental results in the meson spectroscopy sector, showing which are the best successes of the theory, and pointing out where we have still some problems. Hints on future perspectives, offered by the forthcoming experimental programs, will be also given.

Polyphenylsilole multilayers--an insight from X-ray electron spectroscopy and density functional theory.

Science.gov (United States)

Diller, Katharina; Ma, Yong; Luo, Yi; Allegretti, Francesco; Liu, Jianzhao; Tang, Ben Zhong; Lin, Nian; Barth, Johannes V; Klappenberger, Florian

2015-12-14

We present a combined investigation by means of X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy of condensed multilayers of two polyphenylsiloles, namely hexaphenylsilole (HPS) and tetraphenylsilole (TPS). Both compounds exhibit very similar spectroscopic signatures, whose interpretation is aided by density functional theory (DFT) calculations. High-resolution XPS spectra of the Si 2p and C 1s core levels of these multilayers indicate a positively charged silicon ion flanked by two negatively charged adjacent carbon atoms in the silole core of both molecules. This result is corroborated quantitatively by DFT calculations on isolated HPS (TPS) molecules, which show a natural bond orbital partial charge of +1.67 e (+1.58 e) on the silicon and -0.34 e (-0.58 e) on the two neighbouring carbon atoms in the silole ring. These charges are conserved in direct contact with a Cu(111) substrate for films of submonolayer coverage, as evidenced by the Si 2p XPS data. The C K-edge NEXAFS spectra of HPS and TPS multilayers exhibit distinct and differing features. Their main characteristics reappear in the simulated spectra and are assigned to the different inequivalent carbon species in the molecule. The angle-dependent measurements hardly reveal any dichroism, i.e., the molecular π-systems are not uniformly oriented parallel or perpendicular with respect to the surface. Changes in the growth conditions of TPS, i.e., a reduction of the substrate temperature from 240 K to 80 K during deposition, lead to a broadening of both XPS and NEXAFS signatures, as well as an upward shift of the Si 2p and C 1s binding energies, indicative of a less ordered growth mode at low temperature.

Biomolecular EPR spectroscopy

CERN Document Server

Hagen, Wilfred Raymond

2008-01-01

Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction to bioEPR and demonstrates how this remarkable tool allows researchers to delve into the structural, functional, and analytical analysis of paramagnetic molecules found in the biochemistry of all species on the planet. A Must-Have Reference in an Intrinsically Multidisciplinary FieldThis authoritative reference seamlessly covers all important bioEPR applications, including low-spin and high-spin metalloproteins, spin traps and spin lables, interaction between active sites, and redox systems. It is loaded with practical tricks as well as do's and don'ts that are based on the author's 30 years of experience in the field. The book also comes with an unprecedented set of...

Dynamic Effects of the Earth's Rotation Caused by the Annual and Semi-Annual Cyclic Mass Redistribution of the Planet

Directory of Open Access Journals (Sweden)

M. Yu. Barkin

2016-01-01

Full Text Available The paper deals with development of the theory of perturbed rotational motion of a celestial body with variable geometry of the masses. Its main task is to study the impact of annual and semi-annual variations of the Earth's mass geometry (a component of its inertia tensor, as well as a component of its relative angular momentum, on the movement of the Earth's poles and its axial rotation. The body is considered to be a free (isolated, and the problem formulation corresponds to the classical Liouville problem on rotation of a variable body. Euler conical movement of the axially symmetric body with an arbitrary constant half-angle  is assumed as the unperturbed motion. In the classical theory of the Earth's rotation this angle is usually assumed to be zero.In the last 20 years, accuracy to determine the Earth rotation parameters owing to using methods of space geodesy and method of Very Long Baseline Interferometry (VLBI has increased by about three orders of magnitude and has made about  i.e., in angle measure it is about 10 - 20 arc-microseconds. According to experts, the theory of the Earth's rotation with such precision is not created yet. The paper is focused just on the new dynamic studies of the Earth rotation at a higher level of accuracy than has been done in previous studies, using a new approach to the problem, based on the new forms of the equations of motion (in the Andoyer variables and the analytical methods of perturbation theory (small parameter method.The problem of perturbed rotational motion with variable geometry and variable mass relative angular momentum in the first approximation is solved in Andoyer variables and projections of the angular velocity of the planet rotation. The analytical solution allows us to run applications to study dynamic effects from above factors for various bodies in the solar system, including the Earth. The solution allowed us to obtain the following parameters of the fundamental effects in the

Electron-probe microanalysis: x-ray spectroscopy

International Nuclear Information System (INIS)

1987-01-01

The main principles on X-ray, energy and wave length dispersive spectroscopy are reviewed. In order to allow the choice of the best operating conditions, the importance of the regulation and control systems is underlined. Emission theory, X-rays nature and its interaction with matter and electrons in the matter is shown. The structure, operating procedures and necessary electronics (single channel - analysis chain) automatic-control system for the threshold-energies discrimination and the energy distribution visualization) associated to the wavelength dispersive spectroscopy are described. The focusing control, resolution, influence of chemical bonds and multilayer-structure monochromators relaled to wavelength dispersive spectroscopy are studied. Concerning the energy-dispersive spectroscopy, the detector, preamplifier, amplifier, analog-digital converter, as well as the utilization and control of the spectrometer are described. Problems and instrumental progress on energy-dispersive spectroscopy related to the electronic-noise control, charge collection and light-elements detection are discussed [fr

Density functional theory and surface enhanced Raman spectroscopy studies of tautomeric hypoxanthine and its adsorption behaviors in electrochemical processes

International Nuclear Information System (INIS)

Huang, Wei; Jiang, Jin-Zhi; Chen, Liang; Zhang, Bi-Qi; Deng, Shu-Fen; Sun, Jian Jun; Chen, Wen-Kai

2015-01-01

ABSTRACT: Hypoxanthine, a purine heterocyclic compound with N and O atoms, has capability to combine metal ions or adsorb on metals. By using density functional theory (DFT) method calculation, the energy, charge distribution, molecular orbital and vibration spectra information of tautomeric hypoxanthine were given. Combined with these DFT results, the influence of pH on the structure of tautomeric hypoxanthine was studied by surface enhanced Raman spectroscopy (SERS). Electrochemical SERS was applied to study the properties of hypoxanthine/gold interface. It is found that the structure of adsorbed hypoxanthine was changed from slightly tilted to upright with negatively moving of potentials

Handbook of Applied Solid State Spectroscopy

CERN Document Server

Vij, D. R

2006-01-01

Solid-State spectroscopy is a burgeoning field with applications in many branches of science, including physics, chemistry, biosciences, surface science, and materials science. Handbook of Applied Solid-State Spectroscopy brings together in one volume information about various spectroscopic techniques that is currently scattered in the literature of these disciplines. This concise yet comprehensive volume covers theory and applications of a broad range of spectroscopies, including NMR, NQR, EPR/ESR, ENDOR, scanning tunneling, acoustic resonance, FTIR, auger electron emission, x-ray photoelectron emission, luminescence, and optical polarization, and more. Emphasis is placed on fundamentals and current methods and procedures, together with the latest applications and developments in the field.

Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics

Science.gov (United States)

Xu, Xiaolin

Solid-state Nuclear Magnetic Resonance (NMR) is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins, lipids, and nucleic acids. It illustrates the general problem of determining the average biomolecular structure, including the motional mean-square amplitudes and rates of the fluctuations. Lineshape and relaxtion studies give us a view into the molecular properties under different environments. To help the understanding of NMR theory, both lineshape and relaxation experiments are conducted with hexamethylbezene (HMB). This chemical compound with a simple structure serves as a perfect test molecule. Because of its highly symmetric structure, its motions are not very difficult to understand. The results for HMB set benchmarks for other more complicated systems like membrane proteins. After accumulating a large data set on HMB, we also proceed to develop a completely new method of data analysis, which yields the spectral densities in a body-fixed frame revealing internal motions of the system. Among the possible applications of solid-state NMR spectroscopy, we study the light activation mechanism of visual rhodopsin in lipid membranes. As a prototype of G-protein-coupled receptors, which are a large class of membrane proteins, the cofactor isomerization is triggered by photon absorption, and the local structural change is then propagated to a large-scale conformational change of the protein. Facilitation of the binding of transducin then passes along the visual signal to downstream effector proteins like transducin. To study this process, we introduce 2H labels into the rhodopsin chromophore retinal and the C-terminal peptide of transducin to probe the local structure and dynamics of these two hotspots of the rhodopsin activation process. In addition to the examination of local sites with solid-state 2H NMR spectroscopy, wide angle X-ray scattering (WAXS) provides us the chance of

KfA Institute of Nuclear Physics. Annual report 1987

International Nuclear Information System (INIS)

Gruemmer, F.; Kilian, K.; Schult, O.; Seyfarth, H.; Speth, J.; Turek, P.

1988-04-01

This annual report contains extended abstracts about the work performed at the named institute together with a list of publications and speeches. The work concerns nuclear reactions, nuclear spectroscopy, intermediate-energy physics, nuclear structure, developments of the isochronous cyclotron and the ISIS ion source, construction of spectrometers, detectors, and targets, computer development, counting electronics, and radiation protection. (HSI)

Theory of single-spin inelastic tunneling spectroscopy.

Science.gov (United States)

Fernández-Rossier, J

2009-06-26

I show that recent experiments of inelastic scanning tunneling spectroscopy of single and a few magnetic atoms are modeled with a phenomenological spin-assisted tunneling Hamiltonian so that the inelastic dI/dV line shape is related to the spin spectral weight of the magnetic atom. This accounts for the spin selection rules and dI/dV spectra observed experimentally for single Fe and Mn atoms deposited on Cu2N. In the case of chains of Mn atoms it is found necessary to include both first and second-neighbor exchange interactions as well as single-ion anisotropy.

Theory, modeling and simulation: Annual report 1993

Energy Technology Data Exchange (ETDEWEB)

Dunning, T.H. Jr.; Garrett, B.C.

1994-07-01

Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE`s research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies.

Theory, modeling and simulation: Annual report 1993

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Garrett, B.C.

1994-07-01

Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE's research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies

Time-resolved ESR spectroscopy

International Nuclear Information System (INIS)

Beckert, D.

1986-06-01

The time-resolved ESR spectroscopy is one of the modern methods in radiospectroscopy and plays an important role in solving various problems in chemistry and biology. Proceeding from the basic ideas of time-resolved ESR spectroscopy the experimental equipment is described generally including the equipment developed at the Central Institute of Isotope and Radiation Research. The experimental methods applied to the investigation of effects of chemically induced magnetic polarization of electrons and to kinetic studies of free radicals in polymer systems are presented. The theory of radical pair mechanism is discussed and theoretical expressions are summarized in a computer code to compute the theoretical polarization for each pair of the radicals

CRPP Annual report 1990

International Nuclear Information System (INIS)

1991-05-01

This annual report presents the activities of the CRPP in the domain of fusion and points out the main results and events of the past year. For the sake of clarity the activities have been grouped under five headings, resulting in sections of unequal size. These are: tokamak physics, development of new diagnostics, theory and numerical simulation, non-linear plasma physics and development of microwave sources. figs., tabs., refs

Annual report 1983

International Nuclear Information System (INIS)

Van de Vyver, R.E.

1983-01-01

In 1983, the various research projects in which the nuclear physics laboratory of Ghent State University is involved, were continued. In the present Annual Report, the results obtained in the field of photofission, photonuclear reactions positron annihilation, dosimetry and nuclear theory are summarized. The new 10 MeV high duty factor linear electron accelerator is presently being installed: performance tests will be carried out until July 1984; after which this facility will gradually become available for nuclear research purposes. (AF)

IHEP 2001 annual report

International Nuclear Information System (INIS)

2002-01-01

IHEP's focal points of research encompass high energy physics experiment and theory, cosmic ray and high energy astrophysics, theory of nuclear physics, nuclear detector and nuclear electronics, accelerator physics and technology, synchrotron radiation technology and application, nuclear analytical technique and application, free electron laser, computer and network application, radiation projection, etc. In 2001, IHEP further compacted its scientific goal by defining three key fields of high energy physics, research and development of advanced accelerator technologies, and advanced synchrotron radiation technologies and applications, as well as 10 relevant major research orientations. The plentiful results on scientific research, operation and upgrading of BEPC/BES/BSRF and other branches of work in 2001 are given in this annual report

Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Wdowik, U.D., E-mail: sfwdowik@cyf-kr.edu.pl; Twardowska, A.; Mȩdala-Wa̧sik, M.

2015-11-15

Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti{sub 3}SiC{sub 2} as the major phase and TiSi{sub 2}, TiC{sub x}, and Ti{sub 5}Si{sub 3}/Ti{sub 5}Si{sub 3}C{sub x} impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC{sub x} and Ti{sub 5}Si{sub 3}C{sub x} Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

Time-resolved photoelectron spectroscopy and ab initio multiple spawning studies of hexamethylcyclopentadiene

DEFF Research Database (Denmark)

Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.

2014-01-01

Time-resolved photoelectron spectroscopy and ab initio multiple spawning were applied to the ultrafast non-adiabatic dynamics of hexamethylcyclopentadiene. The high level of agreement between experiment and theory associates wavepacket motion with a distinct degree of freedom.......Time-resolved photoelectron spectroscopy and ab initio multiple spawning were applied to the ultrafast non-adiabatic dynamics of hexamethylcyclopentadiene. The high level of agreement between experiment and theory associates wavepacket motion with a distinct degree of freedom....

High-spin nuclear spectroscopy

International Nuclear Information System (INIS)

Diamond, R.M.

1986-07-01

High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given

Research on the Effects of Rewards: Implications for Annual Merit Pay.

Science.gov (United States)

Burke, Richard R.

Some research suggests reduced cooperation and collaboration among college faculty may result when annual pay increments are based on merit evaluations. Various theories and principles have been put forward to explain these effects. The overjustification theory suggests that extrinsically presented rewards become more salient than one's intrinsic…

79th Annual Meeting of the Psychometric Society

CERN Document Server

Bolt, Daniel; Wang, Wen-Chung; Douglas, Jeffrey; Chow, Sy-Miin

2015-01-01

These research articles from the 79th Annual Meeting of the Psychometric Society (IMPS) cover timely quantitative psychology topics, including new methods in item response theory, computerized adaptive testing, cognitive diagnostic modeling, and psychological scaling. Topics within general quantitative methodology include structural equation modeling, factor analysis, causal modeling, mediation, missing data methods, and longitudinal data analysis. These methods will appeal, in particular, to researchers in the social sciences. The 79th annual meeting took place in Madison, WI between July 21nd and 25th, 2014. Previous volumes to showcase work from the Psychometric Society’s Meeting are New Developments in Quantitative Psychology: Presentations from the 77th Annual Psychometric Society Meeting (Springer, 2013) and Quantitative Psychology Research: The 78th Annual Meeting of the Psychometric Society  (Springer, 2015).

80th Annual Meeting of the Psychometric Society

CERN Document Server

Bolt, Daniel; Wang, Wen-Chung; Douglas, Jeffrey; Wiberg, Marie

2016-01-01

The research articles in this volume cover timely quantitative psychology topics, including new methods in item response theory, computerized adaptive testing, cognitive diagnostic modeling, and psychological scaling. Topics within general quantitative methodology include structural equation modeling, factor analysis, causal modeling, mediation, missing data methods, and longitudinal data analysis. These methods will appeal, in particular, to researchers in the social sciences. The 80th annual meeting took place in Beijing, China, between the 12th and 16th of July, 2014. Previous volumes to showcase work from the Psychometric Society’s Meeting are New Developments in Quantitative Psychology: Presentations from the 77th Annual Psychometric Society Meeting (Springer, 2013), Quantitative Psychology Research: The 78th Annual Meeting of the Psychometric Society (Springer, 2015), and Quantitative Psychology Research: The 79th Annual Meeting of the Psychometric Society, Wisconsin, USA, 2014 (Springer, 2015).

Scanning ion deep level transient spectroscopy: I. Theory

International Nuclear Information System (INIS)

Laird, J S; Jagadish, C; Jamieson, D N; Legge, G J F

2006-01-01

Theoretical aspects of a new technique for the MeV ion microbeam are described in detail for the first time. The basis of the technique, termed scanning ion deep level transient spectroscopy (SIDLTS), is the imaging of defect distributions within semiconductor devices. The principles of SIDLTS are similar to those behind other deep level transient spectroscopy (DLTS) techniques with the main difference stemming from the injection of carriers into traps using the localized energy-loss of a focused MeV ion beam. Energy-loss of an MeV ion generates an electron-hole pair plasma, providing the equivalent of a DLTS trap filling pulse with a duration which depends on space-charge screening of the applied electric field and ambipolar erosion of the plasma for short ranging ions. Some nanoseconds later, the detrapping current transient is monitored as a charge transient. Scanning the beam in conjunction with transient analysis allows the imaging of defect levels. As with DLTS, the temperature dependence of the transient can be used to extract trap activation levels. In this, the first of a two-part paper, we introduce the various stages of corner capture and derive a simple expression for the observed charge transient. The second paper will illustrate the technique on a MeV ion implanted Au-Si Schottky junction

Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

International Nuclear Information System (INIS)

Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

2014-01-01

Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

Computer Assisted Instruction (Cain) For Nuclear Magnetic Resonance Spectroscopy

International Nuclear Information System (INIS)

Jaturonrusmee, Wasna; Arthonvorakul, Areerat; Assateranuwat, Adisorn

2005-10-01

A computer assisted instruction program for nuclear magnetic resonance spectroscopy was developed by using Author ware 5.0, Adobe Image Styler 1.0, Adobe Photo shop 7.0 and Flash MX. The contents included the basic theory of 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, the instrumentation of NMR spectroscopy, the two dimensional (2D) NMR spectroscopy and the interpretation of NMR spectra. The program was also provided examples, and exercises, with emphasis on NMR spectra interpretation to determine the structure of unknown compounds and solutions for self study. The questionnaire from students showed that they were very satisfied with the software

Teaching UV-Vis Spectroscopy with a 3D-Printable Smartphone Spectrophotometer

Science.gov (United States)

Grasse, Elise K.; Torcasio, Morgan H.; Smith, Adam W.

2016-01-01

Visible absorbance spectroscopy is a widely used tool in chemical, biochemical, and medical laboratories. The theory and methods of absorbance spectroscopy are typically introduced in upper division undergraduate chemistry courses, but could be introduced earlier with the right curriculum and instrumentation. A major challenge in teaching…

Large volumes and spectroscopy of walking theories

CERN Document Server

Del Debbio, L; Patella, A; Pica, C; Rago, A

2016-01-01

A detailed investigation of finite size effects is performed for SU(2) gauge theory with two fermions in the adjoint representation, which previous lattice studies have shown to be inside the conformal window. The system is investigated with different spatial and temporal boundary conditions on lattices of various spatial and temporal extensions, for two values of the bare fermion mass representing a {\\em heavy} and {\\em light} fermion regime. Our study shows that the infinite volume limit of masses and decay constants in the mesonic sector is reached only when the mass of the pseudoscalar particle $M_\\mathrm{PS}$ and the spatial lattice size $L$ satisfy the relation $L M_\\mathrm{PS} \\ge 15$. This bound, which is at least a factor of three higher than what observed in QCD, is a likely consequence of the different spectral signatures of the two theories, with the scalar isosinglet ($0^{++}$ glueball) being the lightest particle in our model. In addition to stressing the importance of simulating large lattice s...

2nd Institute for Experimental Physics of Hamburg University. Annual report 1986

International Nuclear Information System (INIS)

1987-04-01

The 1986 annual report of the Institute summarizes the research results achieved by the various working groups. The points of main interest include high-energy physics experiments at DESY and CERN, experiments with synchrotron radiation, and work in the fields of hyperfine interactions and Moessbauer spectroscopy. (orig./GG) [de

Institut fuer Strahlen- und Kernphysik der Universitaet Bonn: Annual Report 1981-1982

International Nuclear Information System (INIS)

Jahn, R.; Guenther, C.

1982-01-01

This annual report contains extended abstracts about the work done at the named institute together with a list of publications. The work concerns nuclear reactions, fission, nuclear moments, electron and gamma spectroscopy, ion-solid interactions, archeometry, electric and magnetic hyperine fields, as well as experimental techniques. (MSI) [de

Skalak's extended theory of water hammer

NARCIS (Netherlands)

Tijsseling, A.S.; Lambert, M.F.; Simpson, A.R.; Stephens, M.L.; Vítkovský, J.P.; Bergant, A.

2008-01-01

Half a century ago Richard Skalak [see T.C. Skalak, A dedication in memoriam of Dr. Richard Skalak, Annual Review of Biomedical Engineering 1 (1999) 1–18] published a paper with the title "An extension of the theory of water hammer" [R. Skalak, An Extension of the Theory of Water Hammer, PhD Thesis,

Laser spectroscopy of gas confined in nanoporous materials

OpenAIRE

Svensson, Tomas; Shen, Zhijian

2010-01-01

We show that high-resolution laser spectroscopy can probe surface interactions of gas confined in nanocavities of porous materials. We report on strong line broadening and unfamiliar line shapes due to tight confinement, as well as signal enhancement due to multiple photon scattering. This new domain of laser spectroscopy constitute a challenge for the theory of collisions and spectroscopic line shapes, and open for new ways of analyzing porous materials and processes taking place therein.

China institute of atomic energy annual report 1991

International Nuclear Information System (INIS)

1992-01-01

The Annual Report is a comprehensive review of achievements made by China Institute of Atomic Energy in 1991, which concerns nuclear physics (theories, experimentation), high power laser, mathematics, accelerators, reactor science and technology, radiochemistry, radiochemical engineering and analytical chemistry, isotopes, radiation protection and environmental protection

Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

Science.gov (United States)

Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

2018-04-10

X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

Department of Nuclear Spectroscopy - Overview

International Nuclear Information System (INIS)

Styczen, J.

2000-01-01

Full text: The contributions given hereafter to this Annual Report cover a broad activity of the Department in 1999 both in the pure nuclear spectroscopy and in the applied spectroscopy investigations. That activity is then assembled in the two main groups: the nuclear structure studies with the application of the multidetector systems such as GASP, GAMMASPHERE, EUROBALL and the RFD - as its ancillary device, and investigations of condensed matter properties with the use of nuclear methods. In addition, non-nuclear methods such as the atomic force microscopy provided several new encouraging results. The nice data obtained are due to the great skill and hard work of all members of the staff, and a vast cooperation both with international and national institutes and institutions. When anticipated for calling the attractive results of the past year, I would rather admit that all data given here pretend to be those. To meet with, I refer directly to the short presentations given in the next pages. (author)

Recent developments in the theory of positrons at surfaces

International Nuclear Information System (INIS)

Walker, A.B.

1989-01-01

Positron beams of ever brighter intensity are now establishing themselves as a novel surface probe enabling a wide variety of spectroscopies. The production of high positron intensities and exploitation of the beams depends critically on our understanding of the complex behaviour of positrons at and near surfaces. I will review progress on the theory of positron-surface interactions and of the implantation and diffusion of low energy positrons. Applications of this theory to a variety of experimental techniques such as ACAR (Angular Correlation by Annihilation Radiation) spectra, angle resolved positronium (Ps) spectroscopy, REPELS (Reemitted Positron Energy Loss Spectroscopy), LEPD (Low Energy Positron Diffraction) and measurements of defect profiles will be discussed. 24 refs. (author)

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

Forschungszentrum Juelich, Institut fuer Kernphysik. Annual report 1993

International Nuclear Information System (INIS)

Baur, G.; Filges, D.; Kilian, K.; Maier, R.; Rossen, P. v.; Schult, O.; Seyfarth, H.; Speth, J.; Turek, P.

1994-02-01

The annual report contains extended abstracts about the work performed in the named research center in 1993 together with a list of talks and publications. The work concerns experimental and theoretical studies on medium and high energy physics, nuclear spectroscopy, nuclear structure and reaction mechanisms, developments of the cooler synchrotron COSY, isochronous cyclotron and ion sources, the magnetic spectrometer BIG KARL, as well as technical developments on data acquisition and processing, electronics, detector and targets, and ESS. (DG)

Theory of photoelectron spectroscopy for organic molecules and their crystals

International Nuclear Information System (INIS)

Fujikawa, Takashi; Niki, Kaori; Sakuma, Hiroto

2015-01-01

Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

Phonons: Theory and experiments II. Volume 2

International Nuclear Information System (INIS)

Bruesch, P.

1986-01-01

The present second volume titled as ''Phonons: Theory and Experiments II'', contains, a thorough study of experimental techniques and the interpretation of experimental results. This three-volume set tries to bridge the gap between theory and experiment, and is addressed to those working in both camps in the vast field of dynamical properties of solids. Topics presented in the second volume include; infrared-, Raman and Brillouin spectroscopy, interaction of X-rays with phonons, and inelastic neutron scattering. In addition an account is given of some other techniques, including ultrasonic methods, inelastic electron tunneling spectroscopy, point contact spectroscopy, and spectroscopy of surface phonons, thin films and adsorbates. Both experimental aspects and theoretical concepts necessary for the interpretation of experimental data are discussed. An attempt is made to present the descriptive as well as the analytical aspects of the topics. Simple models are often used to illustrate the basic concepts and more than 100 figures are included to illustrate both theoretical and experimental results. Many chapters contain a number of problems with hints and results giving additional information

Fifth-order Raman spectroscopy of liquid benzene : Experiment and theory

NARCIS (Netherlands)

Milne, C. J.; Li, Y. L.; Jansen, T. L. C.; Huang, L.; Miller, R. J. D.

2006-01-01

The heterodyned fifth-order Raman response of liquid benzene has been measured and characterized by exploiting the passive-phase stabilization of diffractive optics. This result builds on our previous work with liquid carbon disulfide and extends the spectroscopy to a new liquid for the first time.

Theory of photoelectron spectroscopy for organic molecules and their crystals

Energy Technology Data Exchange (ETDEWEB)

Fujikawa, Takashi, E-mail: tfujikawa@faculty.chiba-u.jp; Niki, Kaori; Sakuma, Hiroto

2015-10-01

Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

[Current views on surface enhanced Raman spectroscopy in microbiology].

Science.gov (United States)

Jia, Xiaoxiao; Li, Jing; Qin, Tian; Deng, Aihua; Liu, Wenjun

2015-05-01

Raman spectroscopy has generated many branches during the development for more than 90 years. Surface enhanced Raman spectroscopy (SERS) improves SNR by using the interaction between tested materials and the surface of rough metal, as to quickly get higher sensitivity and precision spectroscopy without sample pretreatment. This article describes the characteristic and classification of SERS, and updates the theory and clinical application of SERS. It also summarizes the present status and progress of SERS in various disciplines and illustrates the necessity and urgency of its research, which provides rationale for the application for SERS in microbiology.

Inertial fusion research. Annual technical report, 1982

International Nuclear Information System (INIS)

Solomon, D.E.; Loughry, B.W.; Terry, N.C.

1982-01-01

This report is presented in three chapters: (1) experimental work, (2) target technology, and (3) theory and computation. The experimental work was on the following: (1) transport in spherical geometry, (2) cryogenic implosions, (3) x-ray spectroscopy, and (4) lasers and diagnostics. Target studies were conducted on glass shells, radiography, cryogenics, and fabrication

Annual Review of Applied Linguistics, Volume 5, 1984.

Science.gov (United States)

Kaplan, Robert B., Ed.

This volume of the annual review includes introductory remarks by G. Richard Tucker and these papers: "Current Issues in Bilingualism: An Update of Directions in Research" (Braj B. Kachru); "Psycholinguistics: Application. The Writing System as a Native Language for the Deaf" (Danny D. Steinberg); "Sociolinguistics: Theory" (Monica Heller);…

Werner-Heisenberg-Institut fuer Physik. Annual report 1982

International Nuclear Information System (INIS)

1982-12-01

This annual report contains extended abstracts about the work done at the named institute together with a list of publications, speeches, seminars, and lectures. The work concerns experimental studies on high energy physics at CERN and at the PETRA storagering with the CELLO detector together with some planned experiments on the Tevatron accelerator, developments for future LEP experiments, theoretical studies on grand unification, QCD phenomenology, lattice gauge theories, supergravity, quantum mechanics, and non-relativistic many-body theory, as well as developments of radiation detectors. (HSI) [de

Nuclear structure theory

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1990-06-01

This report summarizes progress during the past ten months in the following areas of research: pion double charge exchange reactions, including a theory of the isotensor term in the pion-nucleus optical potential, and a study of meson exchange contributions to the reactions at low energies. Nuclear inelastic scattering, using quark models to calculate nuclear structure functions, and to test for sensitivity to the substructure of nucleons in nuclei. Fluctuation-free statistical spectroscopy including the theory and computer programs for interacting-particle densities, spin cutoff factors, occupancies, strength sums, and other expectation values

X-ray spectroscopy an introduction

CERN Document Server

Agarwal, Bipin K

1979-01-01

Rontgen's discovery of X-rays in 1895 launched a subject which became central to the development of modern physics. The verification of many of the predic­ tions of quantum theory by X-ray spectroscopy in the early part of the twen­ tieth century stimulated great interest in thi's area, which has subsequently influenced fields as diverse as chemical physics, nuclear physics, and the study of the electronic properties of solids, and led to the development of techniques such as Auger, Raman, and X-ray photoelectron spectroscopy. The improvement of the theoretical understanding of the physics underlying X-ray spectroscopy has been accompanied by advances in experimental techniques, and the subject provides an instructive example of how progress on both these fronts can be mutually beneficial. This book strikes a balance between his­ torical description, which illustrates this symbiosis, and the discussion of new developments. The application of X-ray spectroscopic methods to the in­ vestigation of chemical b...

Surface Fluctuation Scattering using Grating Heterodyne Spectroscopy

DEFF Research Database (Denmark)

Edwards, R. V.; Sirohi, R. S.; Mann, J. A.

1982-01-01

Heterodyne photon spectroscopy is used for the study of the viscoelastic properties of the liquid interface by studying light scattered from thermally generated surface fluctuations. A theory of a heterodyne apparatus based on a grating is presented, and the heterodyne condition is given in terms...

Second Harmonic Correlation Spectroscopy: Theory and Principles for Determining Surface Binding Kinetics.

Science.gov (United States)

Sly, Krystal L; Conboy, John C

2017-06-01

A novel application of second harmonic correlation spectroscopy (SHCS) for the direct determination of molecular adsorption and desorption kinetics to a surface is discussed in detail. The surface-specific nature of second harmonic generation (SHG) provides an efficient means to determine the kinetic rates of adsorption and desorption of molecular species to an interface without interference from bulk diffusion, which is a significant limitation of fluorescence correlation spectroscopy (FCS). The underlying principles of SHCS for the determination of surface binding kinetics are presented, including the role of optical coherence and optical heterodyne mixing. These properties of SHCS are extremely advantageous and lead to an increase in the signal-to-noise (S/N) of the correlation data, increasing the sensitivity of the technique. The influence of experimental parameters, including the uniformity of the TEM00 laser beam, the overall photon flux, and collection time are also discussed, and are shown to significantly affect the S/N of the correlation data. Second harmonic correlation spectroscopy is a powerful, surface-specific, and label-free alternative to other correlation spectroscopic methods for examining surface binding kinetics.

Femtosecond Coherent Anti-Stokes Raman Spectroscopy (CARS) As Next Generation Nonlinear LIDAR Spectroscopy and Microscopy

International Nuclear Information System (INIS)

Ooi, C. H. Raymond

2009-01-01

Nonlinear spectroscopy using coherent anti-Stokes Raman scattering and femtosecond laser pulses has been successfully developed as powerful tools for chemical analysis and biological imaging. Recent developments show promising possibilities of incorporating CARS into LIDAR system for remote detection of molecular species in airborne particles. The corresponding theory is being developed to describe nonlinear scattering of a mesoscopic particle composed of complex molecules by laser pulses with arbitrary shape and spectral content. Microscopic many-body transform theory is used to compute the third order susceptibility for CARS in molecules with known absorption spectrum and vibrational modes. The theory is combined with an integral scattering formula and Mie-Lorentz formulae, giving a rigorous formalism which provides powerful numerical experimentation of CARS spectra, particularly on the variations with the laser parameters and the direction of detection.

Natural radionuclides in the South Indian foods and their annual dose

International Nuclear Information System (INIS)

Shanthi, G.; Thampi Thanka Kumaran, J.; Gnana Raj, G. Allan; Maniyan, C.G

2010-01-01

The study was carried out to evaluate the radioactivity concentration in the food crops grown in high-level natural radioactive area (HLNRA) in south west India. Food samples collected were analysed by means of a gamma spectroscopy and estimated annual dietary intakes of the radioisotopes 226 Ra, 228 Ra, 228 Th and 40 K. The annual intake of the food stuffs was estimated on the basis of their average annual consumption. Calculations were also made to determine the effective dose to an individual consuming such diets. The intakes of these radionuclides were calculated using the concentrations in south Indian foods and daily consumption rates of these foods. Daily intakes of these radionuclides were as follows: 226 Ra, 0.001-1.87; 228 Ra, 0.0023-1.26, 228 Th, 0.01-14.09 40 K, 0.46-49.39 Bq/day. The daily internal dose resulting from ingestion of radionuclides in food was 4.92 μSv/day and the annual dose was 1.79 mSv/yr. The radionuclides with highest consumption is 40 K.

Annual report 1983

International Nuclear Information System (INIS)

1983-01-01

The Institute of Theoretical Physics is a joint institute for research and education serving Chalmers University of Technology and the University of Goeteborg. The five research divisions have the following main activities: Elementary particle physics, Particle dynamics and Field theory. Statistical physics: Electron correlation effects in metals, Spin dynamics, Dynamics of classical liquids and plasmas. Solid state physics: Electronic structure of solids and surfaces, High energy spectroscopy of atoms, surfaces and soils. Surface physics and chemistry: Molecule-metal interaction, heterogeneous catalysis and other surface reactions. Mathematical physics: Wave scattering in inhomogeneous media, Inverse scattering problems. (L.E.)

DESY scientific annual report 1987

International Nuclear Information System (INIS)

1988-05-01

This annual report contains a short description of the organization of DESY, extended abstracts concerning the experimental studies at the PETRA and DORIS storage rings, the development of the ZEUS detector, synchrotron-radiation experiments, theory of elementary particles, development of counting electronics, technical developments of the HERA, DORIS II and PETRA II storage rings and the DESY II respectively DESY I/III synchrotron, radiation protection, as well as data processing, and a list of speeches, publications, and theses. (HSI)

Annual report 1982 of the 2. Institut fuer Experimentalphysik of Hamburg Univ

International Nuclear Information System (INIS)

1982-12-01

This annual report contains short descriptions of the work done at the named Institute together with a list of publications and theses. The works concern studies on hyperfine structure by Moessbauer spectroscopy an νν angular correlation measurements, experiments with synchrotron radiation, experiments at the storage rings DORIS and PETRA, and neutrino experiments at CERN. (HSI) [de

European Group for Atomic Spectroscopy. Summaries of contributions, eleventh annual conference, Paris-Orsay, July 10-13, 1979

Energy Technology Data Exchange (ETDEWEB)

1979-07-01

Summaries are presented of talks given at the eleventh conference of the European group for atomic spectroscopy. Topics covered include: lifetimes; collisions; line shape; hyperfine structure; isotope shifts; saturation spectroscopy; Hanle effect; Rydberg levels; quantum beats; helium and helium-like atoms; metrology; and molecules. (GHT)

Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

Science.gov (United States)

Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan

2015-12-08

Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a powerful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with conventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We consider seven low- and high-spin model complexes involving chromium, manganese, and iron transition metal centers. Our results are in good agreement with experiment.

Kinetics and spectroscopy of low temperature plasmas

CERN Document Server

Loureiro, Jorge

2016-01-01

This is a comprehensive textbook designed for graduate and advanced undergraduate students. Both authors rely on more than 20 years of teaching experience in renowned Physics Engineering courses to write this book addressing the students’ needs. Kinetics and Spectroscopy of Low Temperature Plasmas derives in a full self-consistent way the electron kinetic theory used to describe low temperature plasmas created in the laboratory with an electrical discharge, and presents the main optical spectroscopic diagnostics used to characterize such plasmas. The chapters with the theoretical contents make use of a deductive approach in which the electron kinetic theory applied to plasmas with basis on the electron Boltzmann equation is derived from the basic concepts of Statistical and Plasma Physics. On the other hand, the main optical spectroscopy diagnostics used to characterize experimentally such plasmas are presented and justified from the point of view of the Atomic and Molecular Physics. Low temperature plasmas...

Synchrotron radiation: appendix to the Daresbury annual report 1990/91

International Nuclear Information System (INIS)

1991-01-01

This Appendix to the Annual Report of the Daresbury Laboratory of the United Kingdom Science and Engineering Research Council contains the 1990 Annual Report of the Synchrotron Radiation Facilities Committee, specifications for the beamlines and stations, the index for the synchrotron radiation user reports, the reports themselves and the list of publications detailing work performed on the Synchrotron Radiation Source. By far the largest part of the Appendix is taken up with the user reports for the period 1990 to 1991. They include reports on structural determination of sodium methyl, an investigation of DNA-Binding Proteins, monitoring of vital processes in live cells, the structure of semiconductor interfaces, the structure and properties of glasses and soft x-ray absorption spectroscopy of liquid samples. (author)

Precision muonium spectroscopy

International Nuclear Information System (INIS)

Jungmann, Klaus P.

2016-01-01

The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 µs. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular ground state hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s–2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular quantum electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium–antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter. (author)

Annual report, October 1, 1979-September 30, 1980

International Nuclear Information System (INIS)

1981-05-01

This annual report covers research progress on each of the following areas: (1) PLT device, (2) PDX, (3) spheromak, (4) smaller devices, (5) theory, (6) TFTR, (7) applied physics, (8) TFTR blanket module experiments, (9) advanced toroidal facility, (10) advanced projects design and analysis, (11) engineering, and (12) fabrication, operations and maintenance

Annual report, October 1, 1979-September 30, 1980

Energy Technology Data Exchange (ETDEWEB)

1981-05-01

This annual report covers research progress on each of the following areas: (1) PLT device, (2) PDX, (3) spheromak, (4) smaller devices, (5) theory, (6) TFTR, (7) applied physics, (8) TFTR blanket module experiments, (9) advanced toroidal facility, (10) advanced projects design and analysis, (11) engineering, and (12) fabrication, operations and maintenance. (MOW)

KFA Institute of Nuclear Physics. Annual report 1990

International Nuclear Information System (INIS)

1991-03-01

This annual report contains extended abstracts about the work performed in the named research center together with a list of talks and publications. The work concerns experimental studies on nuclear reactions and scattering processes, nuclear spectroscopy, and intermediate-energy physics, theoretical studies on nuclear structure, nuclear reactions, and intermediate- and high-energy physics, developments of the isochronous cyclotron, the ISIS ion source, the magnetic spectrometer BIG KARL, and the cooler synchrotron COSY, as well as technical developments on spectrometers and detectors, computer systems, and radiation protection. (orig.)

KFA Institute of Nuclear Physics. Annual report 1989

International Nuclear Information System (INIS)

1990-04-01

This annual report contains extended abstracts about the work performed in the named research center together with a list of talks and publications. The work concerns experimental studies on nuclear reactions and scattering processes, nuclear spectroscopy, and intermediate-energy physics, theoretical studies on nuclear structure, nuclear reactions, and intermediate- and high-energy physics, developments of the isochronous cyclotron, the ISIS ion source, the magnetic spectrometer BIG KARL, and the cooler synchrotron COSY, as well as technical developments on spectrometers and detectors, computer systems, and radiation protection. (HSI)

Southwestern Institute of Physics annual report (2000)

International Nuclear Information System (INIS)

2001-01-01

The research results and engineering progress of SWIP (Southwestern Institute of Physics) during the year of 2000 was summarized in this annual report. The contents divided into five parts: 1. tokamak experimental diagnoses and tokamak engineering; 2. fusion reactor and fusion reactor materials; 3. plasma theory and calculation; 4. technique development and application; 5. appendix 31 theses and presented in this report

Structural, electronic and vibrational properties of LaF3 according to density functional theory and Raman spectroscopy

Science.gov (United States)

Oreshonkov, A. S.; Roginskii, E. M.; Krylov, A. S.; Ershov, A. A.; Voronov, V. N.

2018-06-01

Crystal structure of LaF3 single crystal is refined in tysonite-type trigonal unit cell P c1 using density functional theory calculations and Raman spectroscopy. It is shown that trigonal structure with P c1 space group is more energy-efficient than hexagonal structure with space group P63 cm. Simulated Raman spectra obtained using LDA approximation is in much better agreement with experimental data than that obtained with PBE and PBEsol functionals of GGA. The calculated frequency value of silent mode B 2 in case of hexagonal structure P63 cm was found to be imaginary (unstable mode), thus the energy surface obtains negative curvature with respect to the corresponding normal coordinates of the mode which leads to instability of the hexagonal structure in harmonic approximation. The A 1g line at 214 cm‑1 in Raman spectra of LaF3 related to the translation of F2 ions along c axis can be connected with F2 ionic conductivity.

The spectroscopy of the new particles

International Nuclear Information System (INIS)

Gottfried, K.

1977-01-01

Theories and models of heavy quark-antiquark systems are reviewed. The principal topics are: i) the spectroscopy of the psi-family both above and below charm threshold; ii) production of charmed mesons in e + e - annihilation; and iii) the consequences of interpreting UPSILON and UPSILON' as bound states of a new quark-antiquark system. (orig.) [de

Spring School on Superstring Theory and Related Topics

CERN Document Server

2017-01-01

ICTP's annual Spring School on Superstring Theory and Related Topics provides pedagogical treatment of these subjects through lectures by some of the world's top string theorists. The activity is intended for theoretical physicists or mathematicians with knowledge of quantum field theory, general relativity and string theory. It is organized in collaboration with the Asia Pacific Center for Theoretical Physics (APCTP) and the Italian Institute for Nuclear Physics (INFN).

Analytical chemistry department. Annual report, 1977

International Nuclear Information System (INIS)

Knox, E.M.

1978-09-01

The annual report describes the analytical methods, analyses and equipment developed or adopted for use by the Analytical Chemistry Department during 1977. The individual articles range from a several page description of development and study programs to brief one paragraph descriptions of methods adopted for use with or without some modification. This year, we have included a list of the methods incorporated into our Analytical Chemistry Methods Manual. This report is organized into laboratory sections within the Department as well as major programs within General Atomic Company. Minor programs and studies are included under Miscellaneous. The analytical and technical support activities for GAC include gamma-ray spectroscopy, radiochemistry, activation analysis, gas chromatography, atomic absorption, spectrophotometry, emission spectroscopy, x-ray diffractometry, electron microprobe, titrimetry, gravimetry, and quality control. Services are provided to all organizations throughout General Atomic Company. The major effort, however, is in support of the research and development programs within HTGR Generic Technology Programs ranging from new fuel concepts, end-of-life studies, and irradiated capsules to fuel recycle studies

Photoelectron spectroscopy

International Nuclear Information System (INIS)

Bosch, A.

1982-01-01

In this work examples of the various aspects of photoelectron spectroscopy are given. The investigation was started with the development of an angle-resolved spectrometer so that the first chapters deal with angle-resolved ultra-violet photoelectron spectroscopy. To indicate the possibilities and pitfalls of the technique, in chapter II the theory is briefly reviewed. In chapter III the instrument is described. The system is based on the cylindrical mirror deflection analyzer, which is modified and improved for angle-resolved photoelectron spectroscopy. In combination with a position sensitive detector, a spectrometer is developed with which simultaneously several angle-resolved spectra can be recorded. In chapter IV, the results are reported of angle-integrated UPS experiments on dilute alloys. Using the improved energy resolution of the instrument the author was able to study the impurity states more accurately and shows that the photoemission technique has become an important tool in the study of impurities and the interactions involved. XPS and Auger results obtained from dilute alloys are presented in chapter V. It is shown that these systems are especially suited for the study of correlation effects and can provide interesting problems related to the satellite structure and the interaction of the impurity with the host. In chapter VI, the valence bands of ternary alloys are studied with UPS and compared to recent band structure calculation. The core level shifts are analyzed in a simple, thermodynamic scheme. (Auth.)

Nuclear-chemistry research and spectroscopy with radioactive sources. Eighteenth annual progress report

International Nuclear Information System (INIS)

Fink, R.W.

1982-01-01

Progress is reported on nuclear spectroscopy studies including lifetimes of the g/sub 7/2/ shell-model intruder states in 107 109 Ag, lifetime of the new /sup 187m/Au isomer, the decay of 187 Au - 187 Pt, decay of /sup 201m,g/Po, 203 At, and 125 Ba, and L-shell orbital EC probability and decay energy in 207 Bi decay. Also progress on nuclear model calculations of nuclear structure is reported

Advances in X-ray spectroscopy contributions in honour of professor Y. Cauchois

CERN Document Server

Bonnelle, C

1982-01-01

Advances in X-Ray Spectroscopy covers topics relevant to the advancement of X-ray spectroscopy technology. The book is a collection of papers written by specialists in X-ray spectroscopy and pays tribute to the scientific work of Prof. Yvette Cauchois. The text is organized into four parts. Part I covers the analysis of X-ray transitions between atomic levels and relativistic theories of X-ray emission satellites and electron BremsStrahlung. Part II reviews the means provided by X-ray spectroscopy for the determination of the electronic structure of solids, while Part III discusses methods of

Silver-capped silicon nanopillar platforms for adsorption studies of folic acid using surface enhanced Raman spectroscopy and density functional theory

DEFF Research Database (Denmark)

Castillo, Jaime; Rindzevicius, Tomas; Wu, Kaiyu

2015-01-01

The study of the interactions of folic acid (FA) with surface enhanced Raman scattering substrates is relevant for understanding its adsorption mechanismand for fabricating analytical devices for detection ofmalignant cells over-expressing folate receptors. This paper presents a study of the adso......The study of the interactions of folic acid (FA) with surface enhanced Raman scattering substrates is relevant for understanding its adsorption mechanismand for fabricating analytical devices for detection ofmalignant cells over-expressing folate receptors. This paper presents a study...... of the adsorption of FA on silver-capped silicon nanopillar substrates employing surface enhanced Raman scattering spectroscopy and density functional theory calculations. The experimentally observed vibrations from free FA and FA bound to the Ag surface display different vibrational spectra indicating chemical...

ADVANCED RADIATION THEORY SUPPORT ANNUAL REPORT 2002, FINAL REPORT

International Nuclear Information System (INIS)

DAVIS, J.; APRUZESE, J.; CHONG, Y.; CLARK, R.; DASGUPTA, A.; GIULIANI, J.; KEPPLE, P.; TERRY, R.; THORNHILL, J.; VELIKOVICH, A.

2003-01-01

Z-PINCH PHYSICS RADIATION FROM WIRE ARRAYS. This report describes the theory support of DTRA's Plasma Radiation Source (PRS) program carried out by NRL's Radiation Hydrodynamics Branch (Code 6720) in FY 2002. Included is work called for in DTRA MIPR 02-2045M - ''Plasma Radiation Theory Support'' and in DOE's Interagency Agreement DE-AI03-02SF22562 - ''Spectroscopic and Plasma Theory Support for Sandia National Laboratories High Energy Density Physics Campaign''. Some of this year's work was presented at the Dense Z-Pinches 5th International Conference held June 23-28 in Albuquerque, New Mexico. A common theme of many of these presentations was a demonstration of the importance of correctly treating the radiation physics for simulating Plasma Radiation Source (PRS) load behavior and diagnosing load properties, e.g, stagnation temperatures and densities. These presentations are published in the AIP Conference Proceedings and, for reference, they are included in Section 1 of this report. Rather than describe each of these papers in the Executive Summary, they refer to the abstracts that accompany each paper. As a testament to the level of involvement and expertise that the Branch brings to DTRA as well as the general Z-Pinch community, eight first-authored presentations were contributed at this conference as well as a Plenary and an Invited Talk. The remaining four sections of this report discuss subjects either not presented at the conference or requiring more space than allotted in the Proceedings

Theory and computational science

International Nuclear Information System (INIS)

Durham, P.

1985-01-01

The theoretical and computational science carried out at the Daresbury Laboratory in 1984/5 is detailed in the Appendix to the Daresbury Annual Report. The Theory, Computational Science and Applications Groups, provide support work for the experimental projects conducted at Daresbury. Use of the FPS-164 processor is also described. (U.K.)

78th Annual Meeting of the Psychometric Society

CERN Document Server

Bolt, Daniel; Ark, L; Wang, Wen-Chung

2015-01-01

The 78th Annual Meeting of the Psychometric Society (IMPS) builds on the Psychometric Society's mission to share quantitative methods relevant to psychology. The chapters of this volume present cutting-edge work in the field. Topics include studies of item response theory, computerized adaptive testing, cognitive diagnostic modeling, and psychological scaling. Additional psychometric topics relate to structural equation modeling, factor analysis, causal modeling, mediation, missing data methods, and longitudinal data analysis, among others. The papers in this volume will be especially useful for researchers in the social sciences who use quantitative methods. Prior knowledge of statistical methods is recommended. The 78th annual meeting took place in Arnhem, The Netherlands between July 22nd and 26th, 2013. The previous volume to showcase work from the Psychometric Society’s Meeting is New Developments in Quantitative Psychology: Presentations from the 77th Annual Psychometric Society Meeting (Springer, 201...

Occupational Stress: A Comprehensive Review of the Top 50 Annual and Lifetime Cited Articles.

Science.gov (United States)

Nowrouzi, Behdin; Nguyen, Christine; Casole, Jennifer; Nowrouzi-Kia, Behnam

2017-05-01

This study determined the impact and influence of published articles on the field of occupational stress. A transdisciplinary approach was used to identify the 50 work-related stress articles with the most lifetime citations and the 50 work-related stress articles with the highest annual citation rates. Studies were categorized based on their primary focus: (a) etiology, (b) predictor of outcome for which occupational stress is the outcome or predictor of outcome for which occupational stress is an independent variable, (c) management/intervention, (d) theory/model/framework, or (e) methodologies. The majority of studies with the highest number of lifetime citations as well as the highest annual citation rates used stress as a predictor or outcome of another factor. The proportion of studies that were categorized by etiology, intervention/management, theory/model/framework, or methodologies was relatively low for both lifetime and annual citations.

Photoelectron spectroscopy principles and applications

CERN Document Server

Hüfner, Stefan

1995-01-01

Photoelectron Spectroscopy presents an up-to-date introduction to the field by treating comprehensively the electronic structures of atoms, molecules, solids and surfaces Brief descriptions are given of inverse photoemission, spin-polarized photoemission and photoelectron diffraction Experimental aspects are considered throughout the book, and the results are carefully interpreted by theory A wealth of measured data is presented in the form of tables for easy use by experimentalists

Annual report, July 1, 1975--September 30, 1976

International Nuclear Information System (INIS)

1976-01-01

This annual report gives brief descriptions of each of the following projects: (1) PLT, (2) PDX, (3) TFTR, (4) driven tokamak plasmas, (5) FM-1, (6) ATC, (7) linear devices, (8) reactor studies, (9) theory, (10) library, (11) planning, (12) utilities, (13) administration, (14) engineering, (15) machine design and fabrication, (16) graduate education, and (17) statistics

Visualizing Infrared (IR) Spectroscopy with Computer Animation

Science.gov (United States)

Abrams, Charles B.; Fine, Leonard W.

1996-01-01

IR Tutor, an interactive, animated infrared (IR) spectroscopy tutorial has been developed for Macintosh and IBM-compatible computers. Using unique color animation, complicated vibrational modes can be introduced to beginning students. Rules governing the appearance of IR absorption bands become obvious because the vibrational modes can be visualized. Each peak in the IR spectrum is highlighted, and the animation of the corresponding normal mode can be shown. Students can study each spectrum stepwise, or click on any individual peak to see its assignment. Important regions of each spectrum can be expanded and spectra can be overlaid for comparison. An introduction to the theory of IR spectroscopy is included, making the program a complete instructional package. Our own success in using this software for teaching and research in both academic and industrial environments will be described. IR Tutor consists of three sections: (1) The 'Introduction' is a review of basic principles of spectroscopy. (2) 'Theory' begins with the classical model of a simple diatomic molecule and is expanded to include larger molecules by introducing normal modes and group frequencies. (3) 'Interpretation' is the heart of the tutorial. Thirteen IR spectra are analyzed in detail, covering the most important functional groups. This section features color animation of each normal mode, full interactivity, overlay of related spectra, and expansion of important regions. This section can also be used as a reference.

Natural radionuclides in the South Indian foods and their annual dose

Energy Technology Data Exchange (ETDEWEB)

Shanthi, G., E-mail: shanthidickson@gmail.co [Department of Physics, Women' s Christian College, Nagercoil 629001, Tamil Nadu (India); Thampi Thanka Kumaran, J. [Department of Physics, NM Christian College, Marthandam 629165, Tamil Nadu (India); Gnana Raj, G. Allan [Department of Chemistry and Research Centre, Scott Christian College, Nagercoil 629003, Tamil Nadu (India); Maniyan, C.G [Health Physics Unit, Indian Rare Earths, Manavalakurichi 629252, Tamil Nadu (India)

2010-07-21

The study was carried out to evaluate the radioactivity concentration in the food crops grown in high-level natural radioactive area (HLNRA) in south west India. Food samples collected were analysed by means of a gamma spectroscopy and estimated annual dietary intakes of the radioisotopes {sup 226}Ra, {sup 228}Ra, {sup 228}Th and {sup 40}K. The annual intake of the food stuffs was estimated on the basis of their average annual consumption. Calculations were also made to determine the effective dose to an individual consuming such diets. The intakes of these radionuclides were calculated using the concentrations in south Indian foods and daily consumption rates of these foods. Daily intakes of these radionuclides were as follows: {sup 226}Ra, 0.001-1.87; {sup 228}Ra, 0.0023-1.26, {sup 228}Th, 0.01-14.09 {sup 40}K, 0.46-49.39 Bq/day. The daily internal dose resulting from ingestion of radionuclides in food was 4.92 {mu}Sv/day and the annual dose was 1.79 mSv/yr. The radionuclides with highest consumption is {sup 40}K.

Lattice gauge theories

International Nuclear Information System (INIS)

Hasenfratz, A.; Hasenfratz, P.

1985-01-01

This paper deals almost exclusively with applications in QCD. Presumably QCD will remain in the center of lattice calculations in the near future. The existing techniques and the available computer resources should be able to produce trustworthy results in pure SU(3) gauge theory and in quenched hadron spectroscopy. Going beyond the quenched approximation might require some technical breakthrough or exceptional computer resources, or both. Computational physics has entered high-energy physics. From this point of view, lattice QCD is only one (although the most important, at present) of the research fields. Increasing attention is devoted to the study of other QFTs. It is certain that the investigation of nonasymptotically free theories, the Higgs phenomenon, or field theories that are not perturbatively renormalizable will be important research areas in the future

Nuclear and x-ray spectroscopy with radioactive sources. Fifteenth annual progress report

International Nuclear Information System (INIS)

Rink, R.W.; Wood, J.L.

1979-01-01

Research during the year is summarized briefly for the following areas: nuclear spectroscopy (including nuclear systematics and models and experimental studies of heavy-nucleus decays), x rays from radioactive sources (including L-subshell x-ray fluorescence and Coster-Kronig yields and the measurement of tailing corrections in low-energy coincidence intensity determinations), and miscellaneous topics concerning computer codes and equipment. One may assume publication of completed work in the usual channels. Lists of personnel, publications, etc., are included. 7 figures

Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation Analysis.

Science.gov (United States)

Geitner, Robert; Götz, Stefan; Stach, Robert; Siegmann, Michael; Krebs, Patrick; Zechel, Stefan; Schreyer, Kristin; Winter, Andreas; Hager, Martin D; Schubert, Ulrich S; Gräfe, Stefanie; Dietzek, Benjamin; Mizaikoff, Boris; Schmitt, Michael; Popp, Jürgen

2018-03-15

The presented study reports the synthesis and the vibrational spectroscopic characterization of different matrix-embedded model photocatalysts. The goal of the study is to investigate the interaction of a polymer matrix with photosensitizing dyes and metal complexes for potential future photocatalytic applications. The synthesis focuses on a new rhodamine B derivate and a Pt(II) terpyridine complex, which both contain a polymerizable methacrylate moiety and an acid labile acylhydrazone group. The methacrylate moieties are afterward utilized to synthesize functional model hydrogels mainly consisting of poly(ethylene glycol) methacrylate units. The pH-dependent and temperature-dependent behavior of the hydrogels is investigated by means of Raman and IR spectroscopy assisted by density functional theory calculations and two-dimensional correlation spectroscopy. The spectroscopic results reveal that the Pt(II) terpyridine complex can be released from the polymer matrix by cleaving the C═N bond in an acid environment. The same behavior could not be observed in the case of the rhodamine B dye although it features a comparable C═N bond. The temperature-dependent study shows that the water evaporation has a significant influence neither on the molecular structure of the hydrogel nor on the model photocatalytic moieties.

Nuclear structure theory

International Nuclear Information System (INIS)

French, J.B.; Koltun, D.S.

1989-01-01

This report summarizes progress during the past year in the following areas of research: Pion charge exchange reactions, including a theory of the contribution of pion absorption and correlated double scattering to double charge exchange, new coupled channel calculations for single and double charge exchange from 14 C. Nuclear inelastic scattering, using quark models to calculate nuclear structure functions, and test for sensitivity to the substructure of nucleons in nuclei. Fluctuation-free statistical spectroscopy including the theory and computer programs for interacting-particle densities, spin cutoff factors, occupancies, strength sums, and other expectation values. Proposed research for the coming year in each area is presented

The semiclassical way to dynamics and spectroscopy

CERN Document Server

Heller, Eric

2018-01-01

Physical systems have been traditionally described in terms of either classical or quantum mechanics. But in recent years, semiclassical methods have developed rapidly, providing deep physical insight and computational tools for quantum dynamics and spectroscopy. In this book, Eric Heller introduces and develops this subject, demonstrating its power with many examples. In the first half of the book, Heller covers relevant aspects of classical mechanics, building from them the semiclassical way through the semiclassical limit of the Feynman path integral. The second half of the book applies this approach to various kinds of spectroscopy, such as molecular spectroscopy and electron imaging and quantum dynamical systems with an emphasis on tunneling. Adopting a distinctly time-dependent viewpoint, Heller argues for semiclassical theories from experimental and theoretical vantage points valuable to research in physics and chemistry. Featuring more than two hundred figures, the book provides a geometric, phase-sp...

Spectroscopy of SU(4) composite Higgs theory with two distinct fermion representations

Science.gov (United States)

Ayyar, Venkitesh; DeGrand, Thomas; Golterman, Maarten; Hackett, Daniel C.; Jay, William I.; Neil, Ethan T.; Shamir, Yigal; Svetitsky, Benjamin

2018-04-01

We have simulated the SU(4) lattice gauge theory coupled to dynamical fermions in the fundamental and two-index antisymmetric (sextet) representations simultaneously. Such theories arise naturally in the context of composite Higgs models that include a partially composite top quark. We describe the low-lying meson spectrum of the theory and fit the pseudoscalar masses and decay constants to chiral perturbation theory. We infer as well the mass and decay constant of the Goldstone boson corresponding to the nonanomalous U(1) symmetry of the model. Our results are broadly consistent with large-Nc scaling and vector-meson dominance.

Energy-gap spectroscopy of superconductors using a tunneling microscope

International Nuclear Information System (INIS)

Le Duc, H.G.; Kaiser, W.J.; Stern, J.A.

1987-01-01

A unique scanning tunneling microscope (STM) system has been developed for spectroscopy of the superconducting energy gap. High-resolution control of tunnel current and voltage allows for measurement of superconducting properties at tunnel resistance levels 10 2 --10 3 greater than that achieved in prior work. The previously used STM methods for superconductor spectroscopy are compared to those developed for the work reported here. Superconducting energy-gap spectra are reported for three superconductors, Pb, PbBi, and NbN, over a range of tunnel resistance. The measured spectra are compared directly to theory

Global Complexity: Information, Chaos, and Control at ASIS 1996 Annual Meeting.

Science.gov (United States)

Jacob, M. E. L.

1996-01-01

Discusses proceedings of the 1996 ASIS (American Society for Information Science) annual meeting in Baltimore (Maryland), including chaos theory; electronic universities; distance education; intellectual property, including information privacy on the Internet; the need for leadership in libraries and information centers; information warfare and…

Microscopic theory of photon-correlation spectroscopy in strong-coupling semiconductors

Energy Technology Data Exchange (ETDEWEB)

Schneebeli, Lukas

2009-11-27

would be a great contribution in the growing field of quantum optics in semiconductors. The efforts in QD systems are again driven by the atomic systems which not only have shown the vacuum Rabi splitting, but also the second rung, e.g. via direct spectroscopy and via photon-correlation measurements. In this thesis, it is shown that spectrally resolved photon-statistics measurements of the resonance fluorescence from realistic semiconductor quantum-dot systems allow for high contrast identification of the two-photon strong-coupling states. Using a microscopic theory, the second-rung resonance of Jaynes-Cummings ladder is analyzed and optimum excitation conditions are determined. The computed photon-statistics spectrum displays gigantic, experimentally robust resonances at the energetic positions of the second-rung emission. The resonance fluorescence equations are derived and solved for strong-coupling semiconductor quantum-dot systems using a fully quantized multimode theory and a cluster-expansion approach. A reduced model is developed to explain the origin of auto- and cross-correlation resonances in the two-photon emission spectrum of the fluorescent light. These resonances are traced back to the two-photon strong-coupling states of Jaynes-Cummings ladder. The accuracy of the reduced model is verified via numerical solution of the resonance fluorescence equations. The analysis reveals the direct relation between the squeezed-light emission and the strong-coupling states in optically excited semiconductor systems. (orig.)

Adaptive Motivation Theory.

Science.gov (United States)

1982-02-01

concept of motivation at all. Nuttin (1973) placed -5- Landy: ONR Annual Report certain hedonistic overtones on White’s principle of effectance motivation...deficiencies of motivation theories become particularly apparent in dealing with the issue of boredom . Tn terms of objective reality, it would seem...with expcsure to a c nstant stimulus set, we might justifiably conclude that there is a regular sequence which characterizes the appearance of boredom

HMI Section of Nuclear and Radiation Physics - annual report 1988

International Nuclear Information System (INIS)

1988-01-01

This annual report contains extended abstracts about the work performed in the named institute together with a list of publications and talks. The work concerns nuclear and atomic theory, heavy ion reactions, hyperfine-structure studies, ion collisions with atoms and solids, and developments on the VICKSI accelerator. (HSI)

A physico-chemical study of some areas of fundamental significance to biophysics: Annual report, 1986-1987

International Nuclear Information System (INIS)

McGlynn, S.P.

1987-01-01

The thirteen (13) titles (Nos. 283 to 295) of the Bibliography for the 1986 to 1987 Annual Report constitute the gist of this document. These titles represent work completed and published (or in process of publication). The scientific report which follows is intended to provide a brief summary of the ongoing research efforts of the Molecular Spectroscopy Group. The titles covered are as follows: Rare Gas Density Effects on High-M Rydberg States, Electric Field Dependence of the Total Excimer Luminescence of Xenon Excited Below the Atomic Ionization Limit, Term Value/Band-Gap Energy Correlations for Solid Rare Gas Excitons, Laser Optogalvanic Spectroscopy of Iodine and Cesium, Photoionization spectroscopy of Highly Polar Aromatics, Photochemistry of Polyatomic Molecules. There are six individual papers listed separately in this report

Laser spectroscopy probes the nucleus

International Nuclear Information System (INIS)

Griffith, J.; Billowes, J.

1998-01-01

Extremely sensitive optical measurements are shedding new light on the shape and size of nuclei, and the properties of nuclear matter far from stability. Of the 7000 or so isotopes known to nuclear physicists, less than 270 are stable. In general isotopes become more and more unstable as we move away from the so-called valley of stability, and therefore become more difficult to study in experiments. The tests of the theory also become more demanding. Laser spectroscopy is one of the techniques that is helping to explore the properties of these isotopes and improve our understanding of the forces inside the nucleus. High-resolution laser spectroscopy of short-lived radioactive atoms now makes it possible to measure the nuclear charge radius of many elements, including many isotopes far from stability. The method can reveal fine details of the sizes, shapes and structures of nuclei. In addition, laser spectroscopy is making significant contributions to our understanding of the nuclear force in unstable nuclei with unusual, or extreme, proton-neutron ratios. In this article the authors discuss the latest advances in studying heavy nuclei. (author)

1981 inertial fusion research annual technical report

International Nuclear Information System (INIS)

Solomon, D.E.; Wei, J.L.; Greacen, N.T.

1981-01-01

This annual report consists of the following two topics: (1) target fabrication technology, and (2) fusion experiments. The first section is reported by the following seven areas: (1) characterization, (2) fuel shell technology, (3) polymer technology, (4) lithium foil development, (5) precision etch technology, (6) analytical instrumentation, and (7) target fabrication. The second area is reported by the following topics: (1) experiments, (2) plasma theory, (3) code development and simulation, and (4) lasers and optics

Applied spectroscopy and the science of nanomaterials

CERN Document Server

2015-01-01

This book focuses on several areas of intense topical interest related to applied spectroscopy and the science of nanomaterials. The eleven chapters in the book cover the following areas of interest relating to applied spectroscopy and nanoscience: ·         Raman spectroscopic characterization, modeling and simulation studies of carbon nanotubes, ·         Characterization of plasma discharges using laser optogalvanic spectroscopy, ·         Fluorescence anisotropy in understanding protein conformational disorder and aggregation, ·         Nuclear magnetic resonance spectroscopy in nanomedicine, ·         Calculation of Van der Waals interactions at the nanoscale, ·         Theory and simulation associated with adsorption of gases in nanomaterials, ·         Atom-precise metal nanoclusters, ·         Plasmonic properties of metallic nanostructures, two-dimensional materials, and their composites, ·         Applications of graphe...

Hadron spectroscopy

International Nuclear Information System (INIS)

Oka, Makoto

2012-01-01

Spectra of hadrons show various and complex structures due to the strong coupling constants of the quantum chromodynamics (QCD) constituting its fundamental theory. For their understandings, two parameters, i.e., (1) the quark mass and (2) their excitation energies are playing important roles. In low energies, for example, rather simple structures similar to the positronium appear in the heavy quarks such as charms and bottoms. It has been, however, strongly suggested by the recent experiments that the molecular resonant state shows up when the threshold to decay to mesons is exceeded. On the other hand, chiral symmetry and its breaking play important roles in the dynamics of light quarks. Strange quarks are in between and show special behaviors. In the present lecture, the fundamental concept of the hadron spectroscopy based on the QCD is expounded to illustrate the present understandings and problems of the hadron spectroscopy. Sections are composed of 1. Introduction, 2. Fundamental Concepts (hadrons, quarks and QCD), 3. Quark models and exotic hadrons, 4. Lattice QCD and QCD sum rules. For sections 1 to 3, only outline of the concepts is described because of the limited space. Exotic hadrons, many quark pictures of light hadrons and number of quarks in hadrons are described briefly. (S. Funahashi)

Multiphoton ionization photoelectron spectroscopy of xenon: Experiment and theory

International Nuclear Information System (INIS)

Bajic, S.J.; Compton, R.N.; Tang, X.; L'Huiller, A.; Lambropoulos, P.

1988-11-01

Photoelectron energy and angular distributions for resonantly enhanced multiphoton ionization (REMPI) of xenon via the three-photon-allowed 7s[3/2] 1 0 and 5d[3/2] 1 0 states have been studied both experimentally and theoretically. The electron kinetic energy spectra give the probability of leaving Xe + in either the 2 P/sub 1/2/ or 2 P/sub 3/2/ core. The measured branching ratio for leaving each ionic core is used to test the theoretical description of the REMPI process. Measurements of both the angular distributions and the [3+1] REMPI via the 5d state are adequately reproduced by multichannel quantum defect theory. However, measurements of angular distributions for the electrons resulting from [3+1] via the 7s[3/2] 1 0 state into Xe + 2 P/sub 3/2/ (core preserving) or Xe + 2 P/sub 1/2/ (core changing) are in striking disagreement with theory. 1 ref., 2 figs

Clinical magnetic resonance: imaging and spectroscopy

International Nuclear Information System (INIS)

Andrew, E.R.; Bydder, Graeme; Griffiths, John; Iles, Richard; Styles, Peter

1990-01-01

This book begins with a readable, comprehensive but non-mathematical introduction to the basic underlying principles of magnetic resonance. Further chapters include information on the theory and principles of MRI and MRS, the interpretation of MR images, the clinical applications and scope of MRI and MRS, practical aspects of spectroscopy and magnetic resonance, and also the practical problems associated with the siting, safety and operation of large MRI and MRS equipment. (author)

Annual Proceedings of Selected Research and Development Papers Presented at the Annual Convention of the Association for Educational Communications and Technology (31st, Orlando, FL, 2008)

Science.gov (United States)

Simonson, Michael, Ed.

2008-01-01

For the thirty-first year, the Research and Theory Division of the Association for Educational Communications and Technology (AECT) sponsored the publication of these Proceedings. Papers were presented at the annual AECT Convention in Orlando, Florida. This year's Proceedings has two sections--Section 1 includes research and development papers and…

Reviews in modern astronomy, deciphering the universe through spectroscopy

CERN Document Server

von Berlepsch, Regina

2011-01-01

This 22nd volume in the series contains 15 invited reviews and highlight contributions from outstanding speakers presented during the 2009 annual meeting of the Astronomical Society on the subject of ""Deciphering the Universe through Spectroscopy"", held in Potsdam, Germany. Topics range from the measurements of magnetic fields on the surface of the sun via detailed measurements of abundances in stellar atmospheres to the kinematics of the universe at its largest scales. The result is a systematic overview of the latest astronomical and cosmological research.

Fusion Energy Division annual progress report period ending December 31, 1986

Energy Technology Data Exchange (ETDEWEB)

Morgan, O.B. Jr.; Berry, L.A.; Sheffield, J.

1987-10-01

This annual report on fusion energy discusses the progress on work in the following main topics: toroidal confinement experiments; atomic physics and plasma diagnostics development; plasma theory and computing; plasma-materials interactions; plasma technology; superconducting magnet development; fusion engineering design center; materials research and development; and neutron transport. (LSP)

Fusion Energy Division annual progress report period ending December 31, 1986

International Nuclear Information System (INIS)

Morgan, O.B. Jr.; Berry, L.A.; Sheffield, J.

1987-10-01

This annual report on fusion energy discusses the progress on work in the following main topics: toroidal confinement experiments; atomic physics and plasma diagnostics development; plasma theory and computing; plasma-materials interactions; plasma technology; superconducting magnet development; fusion engineering design center; materials research and development; and neutron transport

Understanding interface properties from high kinetic energy photoelectron spectroscopy and first principles theory

International Nuclear Information System (INIS)

Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof

2011-01-01

Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as

ILL. Annex to the annual report 1976

International Nuclear Information System (INIS)

The first volume of the Annual Report gives a general survey of the activities in the various sections of the ILL, whereas this second volume, deals in more detail with the individual works carried out at the ILL from 1st October 1975 up to 1st October 1976. Main chapters correspond to theory, nuclear physics, excitations, magnetic and crystallographic structures, liquids and amorphous substances, imperfections, biology and chemistry. (Only those reports received up to 1st February 1977 have been included)

(e,2e) spectroscopy: from atoms to solids

Energy Technology Data Exchange (ETDEWEB)

Vos, M.; McCarthy, I.E.

1994-11-01

This paper describes briefly the theory of (e,2e) of atoms and molecules. Subsequently, introduces a simple model for a one-dimensional crystal. The (e,2e) spectra is calculated as would be measured for this hypothetical case, and use this model to make a link between (e,2e) spectroscopy as applied to atoms and molecules and this technique as applied to solids. Slight modifications of the model allow for the simulation of the effects of different band-structures on the (e,2e) spectra. Special attention is paid to the difference in the type of information obtained from (e,2e) spectroscopy and that obtained from angular resolved photo emission. 19 refs., 9 figs.

Estimating the whole-body exposure annual dose of radiation workers of petroleum nuclear well logging

International Nuclear Information System (INIS)

Tian Yizong; Gao Jianzheng; Liu Wenhong

2006-01-01

Objective: By imitating experiment of radioactive sources being installed, to estimate the annual whole-body exposure dose of radiation workers of petroleum nuclear determining wells; Methods: To compre the values of the theory, imitating experiment and γ individual dose monitor calculations. Results: The three values measured above tally with one anather. Conclusion: The annual whole-body exposure doses of radiation workers of petroleum nuclear determining wells are no more than 5 mSv. (authors)

Annual report 1996

Energy Technology Data Exchange (ETDEWEB)

Chmielewska, D.; Infeld, E.; Zupranski, P. [eds.

1997-12-31

In the presented report the research activities of the Soltan Institute for Nuclear Studies (SINS) in year 1996 are described. The report is divided into parts in which the research in SINS departments and laboratories are described and namely in: Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Atomic Nucleus Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Sections for Standards and Patents and Establishment for Nuclear Equipment. All sections include an introduction in which whole of mentioned department activity is briefly presented. Additionally the information about: list of personnel, seminars held at the department and published papers is given.

Annual report 1996

International Nuclear Information System (INIS)

Chmielewska, D.; Infeld, E.; Zupranski, P.

1997-01-01

In the presented report the research activities of the Soltan Institute for Nuclear Studies (SINS) in year 1996 are described. The report is divided into parts in which the research in SINS departments and laboratories are described and namely in: Department of Nuclear Reactions, Department of Nuclear Spectroscopy and Technique, Department of Nuclear Electronics, Department of Radiation Shielding and Dosimetry, Department of Plasma Physics and Technology, Department of High Energy Physics, Department of Cosmic Radiation Physics, Department of Atomic Nucleus Theory, Department of Radiation Detectors, Department of Accelerator Physics and Technology, Sections for Standards and Patents and Establishment for Nuclear Equipment. All sections include an introduction in which whole of mentioned department activity is briefly presented. Additionally the information about: list of personnel, seminars held at the department and published papers is given

Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

DEFF Research Database (Denmark)

Kumpf, C.; Müller, A.; Weigand, W.

2003-01-01

The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

Quarterly, Bi-annual and Annual Reports

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The Quarterly, Bi-annual and Annual Reports are periodic reports issued for public release. For the deep set fishery these reports are issued quarterly and anually....

Ultrasonic spectroscopy applications in condensed matter physics and materials science

CERN Document Server

Leisure, Robert G

2017-01-01

Ultrasonic spectroscopy is a technique widely used in solid-state physics, materials science, and geology that utilizes acoustic waves to determine fundamental physical properties of materials, such as their elasticity and mechanical energy dissipation. This book provides complete coverage of the main issues relevant to the design, analysis, and interpretation of ultrasonic experiments. Topics including elasticity, acoustic waves in solids, ultrasonic loss, and the relation of elastic constants to thermodynamic potentials are covered in depth. Modern techniques and experimental methods including resonant ultrasound spectroscopy, digital pulse-echo, and picosecond ultrasound are also introduced and reviewed. This self-contained book includes extensive background theory and is accessible to students new to the field of ultrasonic spectroscopy, as well as to graduate students and researchers in physics, engineering, materials science, and geophysics.

The Reactivity and Structural Dynamics of Supported Metal Nanoclusters Using Electron Microscopy, in situ X-Ray Spectroscopy, Electronic Structure Theories, and Molecular Dynamics Simulations

International Nuclear Information System (INIS)

Yang, Judith C.; Nuzzo, Ralph G.; Johnson, Duane; Frenkel, Anatoly

2008-01-01

The distinguishing feature of our collaborative program of study is the focus it brings to emergent phenomena originating from the unique structural/electronic environments found in nanoscale materials. We exploit and develop frontier methods of atomic-scale materials characterization based on electron microscopy (Yang) and synchrotron X-ray absorption spectroscopy (Frenkel) that are in turn coupled innately with advanced first principles theory and methods of computational modeling (Johnson). In the past year we have made significant experimental advances that have led to important new understandings of the structural dynamics of what are unquestionably the most important classes of heterogeneous catalysts-the materials used to both produce and mitigate the consequences of the use of liquid hydrocarbon fuels.

Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

Science.gov (United States)

Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

2016-05-04

The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

Laser spectroscopy of muonic hydrogen and the puzzling proton

International Nuclear Information System (INIS)

Pohl, Randolf

2016-01-01

Laser spectroscopy of muonic hydrogen atoms, μp, has revealed a proton root-mean-square (rms) charge radius r_E that is an order of magnitude more accurate than the CODATA world average from elastic electron–proton scattering and precision spectroscopy of regular (electronic) hydrogen. Interestingly, though, the value of r_E from μp is 4%, or 7 combined standard deviations smaller than the CODATA value of r_E. This discrepancy has been coined “proton radius puzzle”. We summarize the experiment and give a brief overview of the theory in muonic hydrogen. Finally we discuss some possible scenarios for the resolution of the “proton radius puzzle”. (author)

Annual cycle of Scots pine photosynthesis

Directory of Open Access Journals (Sweden)

P. Hari

2017-12-01

Full Text Available Photosynthesis, i.e. the assimilation of atmospheric carbon to organic molecules with the help of solar energy, is a fundamental and well-understood process. Here, we connect theoretically the fundamental concepts affecting C3 photosynthesis with the main environmental drivers (ambient temperature and solar light intensity, using six axioms based on physiological and physical knowledge, and yield straightforward and simple mathematical equations. The light and carbon reactions in photosynthesis are based on the coherent operation of the photosynthetic machinery, which is formed of a complicated chain of enzymes, membrane pumps and pigments. A powerful biochemical regulation system has emerged through evolution to match photosynthesis with the annual cycle of solar light and temperature. The action of the biochemical regulation system generates the annual cycle of photosynthesis and emergent properties, the state of the photosynthetic machinery and the efficiency of photosynthesis. The state and the efficiency of the photosynthetic machinery is dynamically changing due to biosynthesis and decomposition of the molecules. The mathematical analysis of the system, defined by the very fundamental concepts and axioms, resulted in exact predictions of the behaviour of daily and annual patterns in photosynthesis. We tested the predictions with extensive field measurements of Scots pine (Pinus sylvestris L. photosynthesis on a branch scale in northern Finland. Our theory gained strong support through rigorous testing.

Annual cycle of Scots pine photosynthesis

Science.gov (United States)

Hari, Pertti; Kerminen, Veli-Matti; Kulmala, Liisa; Kulmala, Markku; Noe, Steffen; Petäjä, Tuukka; Vanhatalo, Anni; Bäck, Jaana

2017-12-01

Photosynthesis, i.e. the assimilation of atmospheric carbon to organic molecules with the help of solar energy, is a fundamental and well-understood process. Here, we connect theoretically the fundamental concepts affecting C3 photosynthesis with the main environmental drivers (ambient temperature and solar light intensity), using six axioms based on physiological and physical knowledge, and yield straightforward and simple mathematical equations. The light and carbon reactions in photosynthesis are based on the coherent operation of the photosynthetic machinery, which is formed of a complicated chain of enzymes, membrane pumps and pigments. A powerful biochemical regulation system has emerged through evolution to match photosynthesis with the annual cycle of solar light and temperature. The action of the biochemical regulation system generates the annual cycle of photosynthesis and emergent properties, the state of the photosynthetic machinery and the efficiency of photosynthesis. The state and the efficiency of the photosynthetic machinery is dynamically changing due to biosynthesis and decomposition of the molecules. The mathematical analysis of the system, defined by the very fundamental concepts and axioms, resulted in exact predictions of the behaviour of daily and annual patterns in photosynthesis. We tested the predictions with extensive field measurements of Scots pine (Pinus sylvestris L.) photosynthesis on a branch scale in northern Finland. Our theory gained strong support through rigorous testing.

Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations

DEFF Research Database (Denmark)

Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.

2014-01-01

comparing time-resolved photoelectron spectroscopy (TRPES) with ab initio multiple spawning (AIMS) simulations on the MS-MR-CASPT2 level of theory. We disentangle the relationship between two phenomena that dominate the immediate molecular response upon light absorption: a spectrally dependent delay...

Auger electron spectroscopy, ionization loss spectroscopy, appearance potential spectroscopy

International Nuclear Information System (INIS)

Riwan, R.

1973-01-01

The spectroscopy of surfaces using an incident electron beam is studied. The fundamental mechanisms are discussed together with the parameters involved in Auger emission: excitation of the atom, de-excitation by electron emission, and the migration of electrons towards the surface and their ejection. Some examples of applications are given (surface structures, metallurgy, chemical information). Two new techniques for analyzing surfaces are studied: ionization spectroscopy, and appearance potential spectroscopy [fr

Applications of Group Theory: Infrared and Raman Spectra of the Isomers of 1,2-Dichloroethylene: A Physical Experiment

Science.gov (United States)

Craig, Norman C.; Lacuesta, Nanette N.

2004-01-01

A study of the vibrational spectroscopy of the cis and trans isomers of 1,2-dichloroethylene provides an excellent opportunity to learn the applications group theory in laboratories. The necessity of using infrared (IR) spectroscopy and Raman spectroscopy in making full vibrational assignments is illustrated.

The Implicit Leadership Theories of College and University Presidents. ASHE Annual Meeting Paper.

Science.gov (United States)

Birnbaum, Robert

Theories implicit in college presidents' definitions of leadership are examined, since understanding presidents' leadership models may affect how they interpret their roles and the events they encounter. The source of the theory that is analyzed is the organizational leadership literature. Research traditions in organizational leadership are…

Reduced density-matrix functional theory: Correlation and spectroscopy.

Science.gov (United States)

Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P

2015-07-14

In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

Photoacoustic spectroscopy of β-hematin

International Nuclear Information System (INIS)

Samson, Edward B; Goldschmidt, Benjamin S; Whiteside, Paul J D; Sudduth, Amanda S M; Custer, John R; Viator, John A; Beerntsen, Brenda

2012-01-01

Malaria affects over 200 million individuals annually, resulting in 800 000 fatalities. Current tests use blood smears and can only detect the disease when 0.1–1% of blood cells are infected. We are investigating the use of photoacoustic flowmetry to sense as few as one infected cell among 10 million or more normal blood cells, thus diagnosing infection before patients become symptomatic. Photoacoustic flowmetry is similar to conventional flow cytometry, except that rare cells are targeted by nanosecond laser pulses to induce ultrasonic responses. This system has been used to detect single melanoma cells in 10 ml of blood. Our objective is to apply photoacoustic flowmetry to detection of the malaria pigment hemozoin, which is a byproduct of parasite-digested hemoglobin in the blood. However, hemozoin is difficult to purify in quantities greater than a milligram, so a synthetic analog, known as β-hematin was derived from porcine hemin. The specific purpose of this study is to establish the efficacy of using β-hematin, rather than hemozoin, for photoacoustic measurements. We characterized β-hematin using UV–vis spectroscopy, TEM, and FTIR, then tested the effects of laser irradiation on the synthetic product. We finally determined its absorption spectrum using photoacoustic excitation. UV–vis spectroscopy verified that β-hematin was distinctly different from its precursor. TEM analysis confirmed its previously established nanorod shape, and comparison of the FTIR results with published spectroscopy data showed that our product had the distinctive absorbance peaks at 1661 and 1206 cm −1 . Also, our research indicated that prolonged irradiation dramatically alters the physical and optical properties of the β-hematin, resulting in increased absorption at shorter wavelengths. Nevertheless, the photoacoustic absorption spectrum mimicked that generated by UV–vis spectroscopy, which confirms the accuracy of the photoacoustic method and strongly suggests

Drug detection by terahertz time-domain spectroscopy

International Nuclear Information System (INIS)

Duan Ruixin; Zhu Yiming; Zhao Hongwei

2013-01-01

Due to unique spectral region, functional imaging ability, excellent penetration and safety characteristics of terahertz radiation, the terahertz technology rapidly becomes a vital method to detect and analyze drugs. In this paper, firstly, we identify the functional groups of anti-diabetic drugs by density functional theory (DFT), HIPHOP models and experimental results from terahertz time-domain spectroscopy measurements. Secondly, we identify four kinds of herbs of radix curcumae by using the support vector machine (SVM) analysis. Besides, we analyze the absorption of anhydrous and hydrous glucose, and determine the state of water in the crystalized D-glucose·H 2 O through the results of differential scanning calorimetry measurement. Finally, we summarize the advantages and disadvantages of terahertz time-domain spectroscopy method in drug detection and analyzing. (authors)

HMI Section of Nuclear and Radiation Physics - annual report 1987

International Nuclear Information System (INIS)

1988-01-01

This annual report contains extended abstracts of the scientific work performed at the named institute together with a list of publications and talks. The scientific work is concerned with the theory of nuclear and atomic processes with heavy ions, the experimental study of heavy ion reactions, nuclear structure studies, nuclear solid-state physics, atomic collisions, and the operation of VICKSI. (HSI)

1985 annual report

International Nuclear Information System (INIS)

1986-01-01

In this annual report of NIKHEF Amsterdam (Netherlands) research programs of high-energy physics, nuclear physics and radiochemistry are described. Concerning the high-energy physics section (section H) it contains short accounts of experiments carried out at CERN (Geneva) with the Super Proton Synchrotron (WA25, ACCMOR, EHS, CHARM), the proton-antiproton collider (SppS) and LEAR, experiments performed with the DESY (Hamburg) accelerators (Crystal-ball, MARK-J, HERA), the SLAC and LEP experiments and an overview of the activities of the theory group and the technical and instrumentation groups. As for the nuclear physics section (K), short descriptions and (preliminary) results are presented of electron-excitation studies and experiments with pions, muons and antiprotons. Theoretical studies include Coulomb sum rule, sigma-omega model, pion photoproduction and the (e,e'p) reaction. A radiochemical and technical part concludes the report. (Auth.)

Annual report 1984

International Nuclear Information System (INIS)

1985-01-01

In this annual report of NIKHEF Amsterdam (Netherlands) research programs of high-energy physics, nuclear physics and radiochemistry are described. Concerning the high-energy physics section (section H) it contains short accounts of experiments carried out at CERN (Geneva) with the Super Proton Synchrotron (WA25, ACCMOR, EHS, CHARM), the proton-antiproton collider (SppS) and LEAR, experiments performed with the DESY (Hamburg) accelerators (Crystal-ball, MARK-J, HERA), the SLAC and LEP experiments and an overview of the activities of the theory group and the technical and instrumentation groups. As for the nuclear physics section (K), short descriptions and (preliminary) results are presented of electron-excitation studies and experiments with pions, muons and antiprotons. Theoretical studies include Coulomb sum rule, quark-bag models, pion-nucleon interaction and the Delta-hole model. A radiochemical and technical part concludes the report. (Auth.)

EBIT spectroscopy of Pm-like tungsten

International Nuclear Information System (INIS)

Hutton, R.; Zou, Y.; Reyna Almandos, J.; Biedermann, C.; Radtke, R.; Greier, A.; Neu, R.

2003-01-01

Methods of VUV electron beam ion trap (EBIT) spectroscopy are applied to the study of Pm-like tungsten (W 13+ ). These data show that theory appears well capable of dealing with these multi-electron (61) ions, at least for high ionization stages. A comparison of other spectroscopic methods applied to the study of other ions of the Pm I sequence is also given, and finally a search for the Pm-like W lines at the ASDEX Upgrade Tokamak is mentioned

Spectroscopy

CERN Document Server

Walker, S

1976-01-01

The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

International conference on string theory

CERN Document Server

2017-01-01

The Strings 2017 conference is part of the "Strings" series of annual conferences, that bring the entire string theory community together. It will include reviews of major developments in the field, and specialized talks on specific topics. There will also be several public lectures given by conference participants, a pre-Strings school at the Technion, and a post-Strings workshop at the Weizmann Institute.

5th International Conference on Operator Theory

CERN Document Server

Douglas, R; Nagy, B; Voiculescu, D; Arsene, Gr

1981-01-01

The first of the annual Operator Theory conferences in Ti­ mi~oara held four years ago was a meeting of operator theory spe­ cialists from the National Institute for Scientific and Techni­ cal Creation in Bucharest and from the University of Timi~oara. Since then, the participation to these conferences has greatly increased, by being attended first by operator theorists from allover the country and (since 1978) by an increasing number of foreign mathematicians. Thus the 1980 Conference can be regarded as a truly international Operator Theory meeting, fifteen coun­ tries being represented at it. These conferences are conceived as a means to promote the cooperation between specialists in all areas of Operator Theory. Among the main topics in 1980 were: dilation theory, invariant subspaces, connections with the theory of cX-algebras, subnormal operators, multidimensional functional calculus etc. Though not included in this volume, we would like to mention that in 1980 some special sessions concerning other f...

Nuclear spectroscopy in large shell model spaces: recent advances

International Nuclear Information System (INIS)

Kota, V.K.B.

1995-01-01

Three different approaches are now available for carrying out nuclear spectroscopy studies in large shell model spaces and they are: (i) the conventional shell model diagonalization approach but taking into account new advances in computer technology; (ii) the recently introduced Monte Carlo method for the shell model; (iii) the spectral averaging theory, based on central limit theorems, in indefinitely large shell model spaces. The various principles, recent applications and possibilities of these three methods are described and the similarity between the Monte Carlo method and the spectral averaging theory is emphasized. (author). 28 refs., 1 fig., 5 tabs

Electron spectroscopy

International Nuclear Information System (INIS)

Hegde, M.S.

1979-01-01

An introduction to the various techniques in electron spectroscopy is presented. These techniques include: (1) UV Photoelectron spectroscopy, (2) X-ray Photoelectron spectroscopy, (3) Auger electron spectroscopy, (4) Electron energy loss spectroscopy, (5) Penning ionization spectroscopy and (6) Ion neutralization spectroscopy. The radiations used in each technique, the basis of the technique and the special information obtained in structure determination in atoms and molecules by each technique are summarised. (A.K.)

Investigation of the influence of crystal quality on Borrmann spectroscopy

International Nuclear Information System (INIS)

Kalaydzhyan, Aram

2012-12-01

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

Investigation of the influence of crystal quality on Borrmann spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kalaydzhyan, Aram

2012-12-15

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

First-Principles Vibrational Electron Energy Loss Spectroscopy of β -Guanine

Science.gov (United States)

Radtke, G.; Taverna, D.; Lazzeri, M.; Balan, E.

2017-07-01

A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β -guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.

Perspective: Ring-polymer instanton theory

Science.gov (United States)

Richardson, Jeremy O.

2018-05-01

Since the earliest explorations of quantum mechanics, it has been a topic of great interest that quantum tunneling allows particles to penetrate classically insurmountable barriers. Instanton theory provides a simple description of these processes in terms of dominant tunneling pathways. Using a ring-polymer discretization, an efficient computational method is obtained for applying this theory to compute reaction rates and tunneling splittings in molecular systems. Unlike other quantum-dynamics approaches, the method scales well with the number of degrees of freedom, and for many polyatomic systems, the method may provide the most accurate predictions which can be practically computed. Instanton theory thus has the capability to produce useful data for many fields of low-temperature chemistry including spectroscopy, atmospheric and astrochemistry, as well as surface science. There is however still room for improvement in the efficiency of the numerical algorithms, and new theories are under development for describing tunneling in nonadiabatic transitions.

Imperial College near infrared spectroscopy neuroimaging analysis framework.

Science.gov (United States)

Orihuela-Espina, Felipe; Leff, Daniel R; James, David R C; Darzi, Ara W; Yang, Guang-Zhong

2018-01-01

This paper describes the Imperial College near infrared spectroscopy neuroimaging analysis (ICNNA) software tool for functional near infrared spectroscopy neuroimaging data. ICNNA is a MATLAB-based object-oriented framework encompassing an application programming interface and a graphical user interface. ICNNA incorporates reconstruction based on the modified Beer-Lambert law and basic processing and data validation capabilities. Emphasis is placed on the full experiment rather than individual neuroimages as the central element of analysis. The software offers three types of analyses including classical statistical methods based on comparison of changes in relative concentrations of hemoglobin between the task and baseline periods, graph theory-based metrics of connectivity and, distinctively, an analysis approach based on manifold embedding. This paper presents the different capabilities of ICNNA in its current version.

High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.

Science.gov (United States)

Lima, Frederico A; Bjornsson, Ragnar; Weyhermüller, Thomas; Chandrasekaran, Perumalreddy; Glatzel, Pieter; Neese, Frank; DeBeer, Serena

2013-12-28

X-ray absorption spectroscopy (XAS) is a widely used experimental technique capable of selectively probing the local structure around an absorbing atomic species in molecules and materials. When applied to heavy elements, however, the quantitative interpretation can be challenging due to the intrinsic spectral broadening arising from the decrease in the core-hole lifetime. In this work we have used high-energy resolution fluorescence detected XAS (HERFD-XAS) to investigate a series of molybdenum complexes. The sharper spectral features obtained by HERFD-XAS measurements enable a clear assignment of the features present in the pre-edge region. Time-dependent density functional theory (TDDFT) has been previously shown to predict K-pre-edge XAS spectra of first row transition metal compounds with a reasonable degree of accuracy. Here we extend this approach to molybdenum K-edge HERFD-XAS and present the necessary calibration. Modern pure and hybrid functionals are utilized and relativistic effects are accounted for using either the Zeroth Order Regular Approximation (ZORA) or the second order Douglas-Kroll-Hess (DKH2) scalar relativistic approximations. We have found that both the predicted energies and intensities are in excellent agreement with experiment, independent of the functional used. The model chosen to account for relativistic effects also has little impact on the calculated spectra. This study provides an important calibration set for future applications of molybdenum HERFD-XAS to complex catalytic systems.

Origin-independent calculation of quadrupole intensities in X-ray spectroscopy

International Nuclear Information System (INIS)

Bernadotte, Stephan; Atkins, Andrew J.; Jacob, Christoph R.

2012-01-01

For electronic excitations in the ultraviolet and visible range of the electromagnetic spectrum, the intensities are usually calculated within the dipole approximation, which assumes that the oscillating electric field is constant over the length scale of the transition. For the short wavelengths used in hard X-ray spectroscopy, the dipole approximation may not be adequate. In particular, for metal K-edge X-ray absorption spectroscopy (XAS), it becomes necessary to include higher-order contributions. In quantum-chemical approaches to X-ray spectroscopy, these so-called quadrupole intensities have so far been calculated by including contributions depending on the square of the electric-quadrupole and magnetic-dipole transition moments. However, the resulting quadrupole intensities depend on the choice of the origin of the coordinate system. Here, we show that for obtaining an origin-independent theory, one has to include all contributions that are of the same order in the wave vector consistently. This leads to two additional contributions depending on products of the electric-dipole and electric-octupole and of the electric-dipole and magnetic-quadrupole transition moments, respectively. We have implemented such an origin-independent calculation of quadrupole intensities in XAS within time-dependent density-functional theory, and demonstrate its usefulness for the calculation of metal and ligand K-edge XAS spectra of transition metal complexes.

Production of high temperature superconductors and characteristics by infrared and Raman spectroscopy

International Nuclear Information System (INIS)

Thomsen, C.

1991-01-01

This final report, which is partly kept short, is concerned with electron/phonon interaction and the determination of the band gap in high temperature superconductors (YBa 2 Cu 3 O 7 ). The final report is divided into four parts, which reflect the individual working groups: 1. Raman spectroscopy, 2. IR spectroscopy (reflection measurements, isotope effect, superconducting energy gap, behaviour of infrared active phonons), 3. Magnetic field measurements, and 4. Theory (initial calculation of the metal/isolator transfer in BaBiO 3 ). (MM) [de

Annual progress report 1975

International Nuclear Information System (INIS)

This report gives a general survey of the activities and research work done in 1975 at Institut de Physique Nucleaire, Orsay. It is divided in 5 parts. The first one is concerned with the Nuclear Physics Division and the research fields are: nuclear reactions, nuclear spectroscopy (heavy ions, on-line analog isobaric states, transfer reactions), hyperfine interactions, exotic nuclei search... The second part is concerned with the work of the High Energy Physics Division and reports the creation in Annecy of the Particle Physics Laboratory (L.A.P.P.). The third one about the Radiochemistry Division reports the research work done in nuclear chemistry (new nuclear species research, fusion, quasi-elastic transfer reactions) and in radiochemistry (cis- and trans-uranium elements, natural superheavy element research). The fourth part is concerned with theoretical research in nuclear physics (nuclear structure, nuclear reactions, weak interactions, intermediate energies) and in particle physics (field theory, gauge theory, chiral symmetry, current algebra, off-shell amplitudes and strong interactions dynamics). The fifth part reports technical research about accelerators, separators, ion sources, semiconductors and the activities of the technical departments of the Institute [fr

Annual report to the Laser Facility Committee, 1982

International Nuclear Information System (INIS)

1982-03-01

The report covers the work done at, or in association with, the Central Laser Facility during the year April 1981 to March 1982 under the headings; glass laser facility development, gas laser development, laser plasma interactions, transport and particle emission studies, ablative acceleration and compression studies, spectroscopy and XUV lasers, and, theory and computation. Publications based on the work of the facility which have either appeared or been accepted for publication during the year are listed. (U.K.)

THE RELEVANCE OF DUESENBERRY CONSUMPTION THEORY! AN APPLIED CASE TO LATIN AMERICA

OpenAIRE

Parada Corrales, Jairo; Bacca Mejia, William

2009-01-01

In this paper we examine the to-date relevance of Duesenberry's Consumption Theory through an applied case to four economies in Latin America: Mexico, Brazil, Argentina and Colombia. Using annual time series of these countries we show that some empirical evidence of Duesenberry's theory still holds and should not be discarded in modern macroeconomics as it has happened in regular macro text books in mainstream economics. Duesenberry's theory includes important institutional factors that canno...

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Energy Technology Data Exchange (ETDEWEB)

Carr, J. K.; Roy, S.; Skinner, J. L. [Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin 53706 (United States); Zabuga, A. V.; Rizzo, T. R. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Fédérale de Lausanne, EPFL SB ISIC LCPM, Station 6, CH-1015 Lausanne (Switzerland)

2014-06-14

The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to simulations in an efficient manner, several researchers have proposed “maps,” which relate observables in classical MD simulations to quantum spectroscopic variables. It can be difficult to discern whether errors in the theoretical results (compared to experiment) arise from inaccuracies in the MD trajectories or in the maps themselves. In this work, we evaluate spectroscopic maps independently from MD simulations by comparing experimental and theoretical spectra for a single conformation of the α-helical model peptide Ac-Phe-(Ala){sub 5}-Lys-H{sup +} in the gas phase. Conformation-specific experimental spectra are obtained for the unlabeled peptide and for several singly and doubly {sup 13}C-labeled variants using infrared-ultraviolet double-resonance spectroscopy, and these spectra are found to be well-modeled by density functional theory (DFT) calculations at the B3LYP/6-31G** level. We then compare DFT results for the deuterated and {sup 13}C{sup 18}O-labeled peptide with those from spectroscopic maps developed and used previously by the Skinner group. We find that the maps are typically accurate to within a few cm{sup −1} for both frequencies and couplings, having larger errors only for the frequencies of terminal amides.

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Science.gov (United States)

Carr, J. K.; Zabuga, A. V.; Roy, S.; Rizzo, T. R.; Skinner, J. L.

2014-01-01

The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to simulations in an efficient manner, several researchers have proposed “maps,” which relate observables in classical MD simulations to quantum spectroscopic variables. It can be difficult to discern whether errors in the theoretical results (compared to experiment) arise from inaccuracies in the MD trajectories or in the maps themselves. In this work, we evaluate spectroscopic maps independently from MD simulations by comparing experimental and theoretical spectra for a single conformation of the α-helical model peptide Ac-Phe-(Ala)5-Lys-H+ in the gas phase. Conformation-specific experimental spectra are obtained for the unlabeled peptide and for several singly and doubly 13C-labeled variants using infrared-ultraviolet double-resonance spectroscopy, and these spectra are found to be well-modeled by density functional theory (DFT) calculations at the B3LYP/6-31G** level. We then compare DFT results for the deuterated and 13C18O-labeled peptide with those from spectroscopic maps developed and used previously by the Skinner group. We find that the maps are typically accurate to within a few cm−1 for both frequencies and couplings, having larger errors only for the frequencies of terminal amides. PMID:24929378

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

International Nuclear Information System (INIS)

Carr, J. K.; Roy, S.; Skinner, J. L.; Zabuga, A. V.; Rizzo, T. R.

2014-01-01

The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to simulations in an efficient manner, several researchers have proposed “maps,” which relate observables in classical MD simulations to quantum spectroscopic variables. It can be difficult to discern whether errors in the theoretical results (compared to experiment) arise from inaccuracies in the MD trajectories or in the maps themselves. In this work, we evaluate spectroscopic maps independently from MD simulations by comparing experimental and theoretical spectra for a single conformation of the α-helical model peptide Ac-Phe-(Ala) 5 -Lys-H + in the gas phase. Conformation-specific experimental spectra are obtained for the unlabeled peptide and for several singly and doubly 13 C-labeled variants using infrared-ultraviolet double-resonance spectroscopy, and these spectra are found to be well-modeled by density functional theory (DFT) calculations at the B3LYP/6-31G** level. We then compare DFT results for the deuterated and 13 C 18 O-labeled peptide with those from spectroscopic maps developed and used previously by the Skinner group. We find that the maps are typically accurate to within a few cm −1 for both frequencies and couplings, having larger errors only for the frequencies of terminal amides

Electronic structure of EuN: Growth, spectroscopy, and theory

DEFF Research Database (Denmark)

Richter, J. H.; Ruck, B.J.; Simpson, M.

2011-01-01

and the lowest-lying 8S multiplet. The Hubbard-I model is also in good agreement with purely atomic multiplet calculations for the Eu M-edge XAS. LSDA+U and DMFT calculations find a metallic ground state, while QSGW results predict a direct band gap at X for EuN of about 0.9 eV that matches closely an absorption...... and QSGW models capture the density of conduction band states better than does LSDA+U. Only the Hubbard-I model contains a correct description of the Eu 4f atomic multiplets and locates their energies relative to the band states, and we see some evidence in XAS for hybridization between the conduction band...... edge seen in optical transmittance at 0.9 eV, and a smaller indirect gap. Overall, the combination of theoretical methods and spectroscopies provides insights into the complex nature of the electronic structure of this material. The results imply that EuN is a narrow-band-gap semiconductor that lies...

Annual report 1980 of the Institut fuer Physik of the Max-Planck-Institut fuer Physik und Astrophysik, Muenchen

International Nuclear Information System (INIS)

1980-12-01

In this annual report the fields of research done at the MPI for Physics and Astrophysics are summarized. These concern mainly high energy physics. The theoretical work deals with field theory with special regards to unified gauge theories while the Institute contributes to some experiments at DESY and CERN. Furthermore, a list of publications and theses is given. (HSI)

Theoretical Physics Division annual report (1 Sep 1981 - 31 Aug 1982)

International Nuclear Information System (INIS)

The Division of Theoretical Physics is organized in two groups, one oriented towards problems in nuclear physics and the other working on problems in particle physics. The fields of research can be summarized as follows: - in nuclear physics: systems with few nucleons, self-consistant calculations of nuclear properties, nuclear spectroscopy, nuclear physics at intermediate energies, weak interactions, nuclear reactions; - in particle physics: nucleon-nucleon scattering and the Paris potential, the nucleon-antinucleon interaction, dual topological unitarization and multiquark states, Gauge theories, covariant representations of classical systems, binding potentials derived from local relativistic wave equations, renormalization problems in quantum field theory [fr

Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Hellman, Hal

1968-01-01

This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

Annual report, Basic Sciences Branch, FY 1991

Energy Technology Data Exchange (ETDEWEB)

1993-04-01

This report summarizes the progress of the Basic Sciences Branch of the National Renewable Energy Laboratory (NREL) from October 1, 1990, through September 30, 1991. Seven technical sections of the report cover these main areas of NREL`s in-house research: Semiconductor Crystal Growth, Amorphous Silicon Research, Polycrystalline Thin Films, III-V High-Efficiency Photovoltaic Cells, Solid-State Theory, Solid-State Spectroscopy, and Superconductivity. Each section explains the purpose and major accomplishments of the work in the context of the US Department of Energy`s National Photovoltaic Research Program plans.

Annual report, Basic Sciences Branch, FY 1991

Energy Technology Data Exchange (ETDEWEB)

1993-04-01

This report summarizes the progress of the Basic Sciences Branch of the National Renewable Energy Laboratory (NREL) from October 1, 1990, through September 30, 1991. Seven technical sections of the report cover these main areas of NREL's in-house research: Semiconductor Crystal Growth, Amorphous Silicon Research, Polycrystalline Thin Films, III-V High-Efficiency Photovoltaic Cells, Solid-State Theory, Solid-State Spectroscopy, and Superconductivity. Each section explains the purpose and major accomplishments of the work in the context of the US Department of Energy's National Photovoltaic Research Program plans.

Portfolio theory as a management tool to guide conservation and restoration of multi-stock fish populations

Science.gov (United States)

DuFour, Mark R.; May, Cassandra J.; Roseman, Edward F.; Ludsin, Stuart A.; Vandergoot, Christopher S.; Pritt, Jeremy J.; Fraker, Michael E.; Davis, Jeremiah J.; Tyson, Jeffery T.; Miner, Jeffery G.; Marschall, Elizabeth A.; Mayer, Christine M.

2015-01-01

Habitat degradation and harvest have upset the natural buffering mechanism (i.e., portfolio effects) of many large-scale multi-stock fisheries by reducing spawning stock diversity that is vital for generating population stability and resilience. The application of portfolio theory offers a means to guide management activities by quantifying the importance of multi-stock dynamics and suggesting conservation and restoration strategies to improve naturally occurring portfolio effects. Our application of portfolio theory to Lake Erie Sander vitreus (walleye), a large population that is supported by riverine and open-lake reef spawning stocks, has shown that portfolio effects generated by annual inter-stock larval fish production are currently suboptimal when compared to potential buffering capacity. Reduced production from riverine stocks has resulted in a single open-lake reef stock dominating larval production, and in turn, high inter-annual recruitment variability during recent years. Our analyses have shown (1) a weak average correlation between annual river and reef larval production (ρ̄ = 0.24), suggesting that a natural buffering capacity exists in the population, and (2) expanded annual production of larvae (potential recruits) from riverine stocks could stabilize the fishery by dampening inter-annual recruitment variation. Ultimately, our results demonstrate how portfolio theory can be used to quantify the importance of spawning stock diversity and guide management on ecologically relevant scales (i.e., spawning stocks) leading to greater stability and resilience of multi-stock populations and fisheries.

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory.

Science.gov (United States)

Pelmenschikov, Vladimir; Birrell, James A; Pham, Cindy C; Mishra, Nakul; Wang, Hongxin; Sommer, Constanze; Reijerse, Edward; Richers, Casseday P; Tamasaku, Kenji; Yoda, Yoshitaka; Rauchfuss, Thomas B; Lubitz, Wolfgang; Cramer, Stephen P

2017-11-22

[FeFe]-hydrogenases are metalloenzymes that reversibly reduce protons to molecular hydrogen at exceptionally high rates. We have characterized the catalytically competent hydride state (H hyd ) in the [FeFe]-hydrogenases from both Chlamydomonas reinhardtii and Desulfovibrio desulfuricans using 57 Fe nuclear resonance vibrational spectroscopy (NRVS) and density functional theory (DFT). H/D exchange identified two Fe-H bending modes originating from the binuclear iron cofactor. DFT calculations show that these spectral features result from an iron-bound terminal hydride, and the Fe-H vibrational frequencies being highly dependent on interactions between the amine base of the catalytic cofactor with both hydride and the conserved cysteine terminating the proton transfer chain to the active site. The results indicate that H hyd is the catalytic state one step prior to H 2 formation. The observed vibrational spectrum, therefore, provides mechanistic insight into the reaction coordinate for H 2 bond formation by [FeFe]-hydrogenases.

Theory of sum-frequency generation spectroscopy of adsorbed molecules using the density matrix method-broadband vibrational sum-frequency generation and applications

International Nuclear Information System (INIS)

Bonn, M; Ueba, H; Wolf, M

2005-01-01

A generalized theory of frequency- and time-resolved vibrational sum-frequency generation (SFG) spectroscopy of adsorbates at surfaces is presented using the density matrix formalism. Our theoretical treatment is specifically aimed at addressing issues that accompany the relatively novel SFG approach using broadband infrared pulses. The ultrashort duration of these pulses makes them ideally suited for time-resolved investigations, for which we present a complete theoretical treatment. A second key characteristic of these pulses is their large bandwidth and high intensity, which allow for highly non-linear effects, including vibrational ladder climbing of surface vibrations. We derive general expressions relating the density matrix to SFG spectra, and apply these expressions to specific experimental results by solving the coupled optical Bloch equations of the density matrix elements. Thus, we can theoretically reproduce recent experimentally demonstrated hot band SFG spectra using femtosecond broadband infrared excitation of carbon monoxide (CO) on a Ru(001) surface

Carbonation of wollastonite(001) competing hydration: microscopic insights from ion spectroscopy and density functional theory.

Science.gov (United States)

Longo, Roberto C; Cho, Kyeongjae; Brüner, Philipp; Welle, Alexander; Gerdes, Andreas; Thissen, Peter

2015-03-04

In this paper, we report about the influence of the chemical potential of water on the carbonation reaction of wollastonite (CaSiO3) as a model surface of cement and concrete. Total energy calculations based on density functional theory combined with kinetic barrier predictions based on nudge elastic band method show that the exposure of the water-free wollastonite surface to CO2 results in a barrier-less carbonation. CO2 reacts with the surface oxygen and forms carbonate (CO3(2-)) complexes together with a major reconstruction of the surface. The reaction comes to a standstill after one carbonate monolayer has been formed. In case one water monolayer is covering the wollastonite surface, the carbonation is no more barrier-less, yet ending in a localized monolayer. Covered with multilayers of water, the thermodynamic ground state of the wollastonite completely changes due to a metal-proton exchange reaction (also called early stage hydration) and Ca(2+) ions are partially removed from solid phase into the H2O/wollastonite interface. Mobile Ca(2+) reacts again with CO2 and forms carbonate complexes, ending in a delocalized layer. By means of high-resolution time-of-flight secondary-ion mass spectrometry images, we confirm that hydration can lead to a partially delocalization of Ca(2+) ions on wollastonite surfaces. Finally, we evaluate the impact of our model surface results by the meaning of low-energy ion-scattering spectroscopy combined with careful discussion about the competing reactions of carbonation vs hydration.

Novel information theory techniques for phonon spectroscopy

International Nuclear Information System (INIS)

Hague, J P

2007-01-01

The maximum entropy method (MEM) and spectral reverse Monte Carlo (SRMC) techniques are applied to the determination of the phonon density of states (PDOS) from heat-capacity data. The approach presented here takes advantage of the standard integral transform relating the PDOS with the specific heat at constant volume. MEM and SRMC are highly successful numerical approaches for inverting integral transforms. The formalism and algorithms necessary to carry out the inversion of specific heat curves are introduced, and where possible, I have concentrated on algorithms and experimental details for practical usage. Simulated data are used to demonstrate the accuracy of the approach. The main strength of the techniques presented here is that the resulting spectra are always physical: Computed PDOS is always positive and properly applied information theory techniques only show statistically significant detail. The treatment set out here provides a simple, cost-effective and reliable method to determine phonon properties of new materials. In particular, the new technique is expected to be very useful for establishing where interesting phonon modes and properties can be found, before spending time at large scale facilities

Design of solar cell materials via soft X-ray spectroscopy

DEFF Research Database (Denmark)

Himpsel, F.J.; Cook, P.L.; de la Torre, G.

2013-01-01

This overview illustrates how spectroscopy with soft X-rays can assist the development of new materials and new designs for solar cells. The starting point is the general layout of a solar cell, which consists of a light absorber sandwiched between an electron donor and an electron acceptor....... There are four relevant energy levels that can be measured with a combination of X-ray absorption spectroscopy and photoelectron spectroscopy, as illustrated for an organic dye as absorber attached to a p-doped diamond film as donor. Systematic measurements of organometallic dyes (phthalocyanines and porphyrins......) as a function of the metal atom are presented for the metal 2p and N 1s absorption edges. In combination with density functional theory one can discern trends that are useful for tailoring absorber molecules. A customized porphyrin molecule is investigated that combines an absorber with a donor and a linker...

Phase-Sensitive Control Of Molecular Dissociation Through Attosecond Pump/Strong-Field Mid-IR Probe Spectroscopy

Science.gov (United States)

2016-04-15

splitter (consisting of a thin, uncoated, silicon plate at brewsters angle) and the beams were focused onto the OPA crystal. For this work two...experiments in the future. These technologies include • Two-color driven (EUV/mid-IR) ion spectroscopy: we designed an interferometer combining EUV...isolated single-femtosecond EUV pulse generation: combining the use of low ionization threshold gas, an annual near-IR drive beam , polarization

Shanghai institute of nuclear research, academia sinica annual report 1991

International Nuclear Information System (INIS)

1992-01-01

The Annual Report is a comprehensive review of achievements made by Shanghai Institute of Nuclear Research (SINR), Academia Sinica in 1991, Which concerns nuclear physics (theories, experimentation, and application), nuclear chemistry (radiochemistry, radiopharmaceuticals, labelled compounds, analytical chemistry), radiation chemistry, accelerator physics and technology, nuclear detectors, computer application and maintenance, laboratory engineering, radiation protection and waste treatment. The maintenance, reconstruction and operation of its major facilities are also described

Health physics division annual progress report for period ending June 30, 1977

Energy Technology Data Exchange (ETDEWEB)

1978-07-01

This annual progress report follows, as in the past, the organizational structure of the Health Physics Division. Each part is a report of work done by a section of the division: Assessment and Technology Section (Part I), headed by H.W. Dickson; Biological and Radiation Physics Section (Part II), H.A. Wright; Chemical Physics and Spectroscopy Section (Part III), W.R. Garrett; Emergency Technology Section (Part IV), C.V. Chester, Medical Physics and Internal Dosimetry Section (Part V), K.E. Cowser; and the Analytic Dosimetry and Education Group (Part VI), J.E. Turner.

Theory of tunneling spectroscopy in UPd{sub 2}Al{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Parker, David [MPIPKS, Nothnitzer Str. 38, Dresden 01187 (Germany); Thalmeier, and Peter [MPI CPFS, Nothnitzer Str. 40, Dresden 01187 (Germany)

2007-07-01

There is still significant debate about the symmetry of the order parameter in the heavy-fermion superconductor UPd{sub 2}Al{sub 3}, with proposals for cos(k{sub 3}),cos(2k{sub 3}), sin(k{sub 3}), and e{sup i{phi}} sin(k{sub 3}). Here we analyze the tunneling spectroscopy of this compound and demonstrate that the experimental results by Jourdan et al (Nature 398, 47 (1999)) are inconsistent with the last two order parameters, which are expected to show zero-bias conductance peaks. We propose a definitive tunneling experiment to distinguish between the first two order parameters.

Development of NMRI spectroscopy for improved petroleum recovery, Annex 6. Annual report, 1991

Energy Technology Data Exchange (ETDEWEB)

Barrufet, M.A.; Flumerfelt, R.W.; Jennings, J.W.; Walsh, M.P.; Watson, A.T.

1991-12-31

The overall objectives are to develop and apply Nuclear Magnetic Resonance Imaging (NMRI) and CT X-Ray Scanning methods for determining rock, fluid, and petrophysical properties and for fundamental studies of multiphase flow behavior in porous media. Specific objectives are to: (1) develop NMRI procedures for measuring porosity, permeability, pore size distribution, capillary pressure, and wetting characteristics, (2) apply imaging methods for improved methods of determining two- and three-phase relative permeability functions, (3) apply NMRI for development of a better understanding of dispersed phase displacement processes, and (4) apply imaging methods to develop a better understanding of saturation distribution and fingering during miscible displacements. The objectives have been organized into four subtasks. Annual progress reports for each subtask are provided.

Nuclear chemistry research and spectroscopy with radioactive sources. Nineteenth annual progress report

International Nuclear Information System (INIS)

Fink, R.W.

1983-01-01

Our effort is centered on radioactive decay studies of far-from-stable nuclides produced with heavy ions from the Holifield Heavy Ion Research Facility (HHIRF) and studied on-line with the University Isotope Separator at Oak Ridge (UNISOR). Progress is reported on the following studies: lifetime of the g/sub 7/2/ level in 109 Ag; halflife of the h/sub 9/2/ level in 187 Au; decay of 8.4 min 187 Au → 187 Pt; orbital EC probabilities and decay energy of 207 Bi; decay of 9 min /sup 201m/Po and 16 min /sup 201g/Po; decay of 2.5 min 125 Ba; decay of 7.4 min 203 At; exploration of neutron-deficient Sm, Pm, and Nd nuclides; preparation of thoron active deposit conversion electron sources; inception of nuclear laser spectroscopy at UNISOR; and nuclear structure calculations with nuclear models. Publications are listed

Heavy hadron spectroscopy: A quark model perspective

International Nuclear Information System (INIS)

Vijande, J.; Valcarce, A.; Caramés, T.F.; Garcilazo, H.

2013-01-01

We present recent results of hadron spectroscopy and hadron–hadron interaction from the perspective of constituent quark models. We pay special attention to the role played by higher order Fock space components in the hadron spectra and the connection of this extension with the hadron–hadron interaction. The main goal of our description is to obtain a coherent understanding of the low-energy hadron phenomenology without enforcing any particular model, to constrain its characteristics and learn about low-energy realization of the theory

Neutron resonance spectroscopy

International Nuclear Information System (INIS)

Gunsing, F.

2005-06-01

The present document has been written in order to obtain the diploma 'Habilitation a Diriger des Recherches'. Since this diploma is indispensable to supervise thesis students, I had the intention to write a document that can be useful for someone starting in the field of neutron resonance spectroscopy. Although the here described topics are already described elsewhere, and often in more detail, it seemed useful to have most of the relevant information in a single document. A general introduction places the topic of neutron-nucleus interaction in a nuclear physics context. The large variations of several orders of magnitude in neutron-induced reaction cross sections are explained in terms of nuclear level excitations. The random character of the resonances make nuclear model calculation predictions impossible. Then several fields in physics where neutron-induced reactions are important and to which I have contributed in some way or another, are mentioned in a first synthetic chapter. They concern topics like parity nonconservation in certain neutron resonances, stellar nucleosynthesis by neutron capture, and data for nuclear energy applications. The latter item is especially important for the transmutation of nuclear waste and for alternative fuel cycles. Nuclear data libraries are also briefly mentioned. A second chapter details the R-matrix theory. This formalism is the foundation of the description of the neutron-nucleus interaction and is present in all fields of neutron resonance spectroscopy. (author)

Stochastic chemical kinetics theory and (mostly) systems biological applications

CERN Document Server

Érdi, Péter; Lente, Gabor

2014-01-01

This volume reviews the theory and simulation methods of stochastic kinetics by integrating historical and recent perspectives, presents applications, mostly in the context of systems biology and also in combustion theory. In recent years, due to the development in experimental techniques, such as optical imaging, single cell analysis, and fluorescence spectroscopy, biochemical kinetic data inside single living cells have increasingly been available. The emergence of systems biology brought renaissance in the application of stochastic kinetic methods.

ISINN-5. 5. International seminar on interaction of neutrons with nuclei. Neutron spectroscopy, nuclear structure, related topics

International Nuclear Information System (INIS)

1997-01-01

The materials submitted at the fifth in a series of annual international seminar on interaction of neutrons with nuclei Neutron Spectroscopy, Nuclear Structure, Related Topics (ISINN-5) are given. The Seminar is organized by the Frank Laboratory of Neutron Physics of the Joint Institute for Nuclear Research and took place in Dubna on May 14-17, 1997. About 130 specialists from Belgium, China, Germany, France, Japan, Korea, Latvia, Netherlands, Ukraine, 7 Russian research institutes and a number of JINR laboratories took part in the Seminar. The scope of the problems discussed is traditionally wide. It includes the problems of violation of fundamental symmetries in the interaction of neutrons with nuclei, the properties of the neutron as the fundamental particle, nonstatistical aspects of the radiation capture of neutrons by nuclei, topical problems of the theory of nucleus, and the fission mechanism of heavy nuclei. The latest results obtained with ultracold neutrons (UCN), in particular, different approaches to understanding of the cause of UCN anomalous leakage through the walls of the trap are considered as well. The wide spectrum of methodological aspects of neutron-aided experiments is also discussed in details

Physics Division annual review, April 1, 1992--March 31, 1993

International Nuclear Information System (INIS)

Thayer, K.J.

1993-08-01

This document is the annual review of the Argonne National Laboratory Physics Division for the period April 1, 1992--March 31, 1993. Work on the ATLAS device is covered, as well as work on a number of others in lab, as well as collaborative projects. Heavy ion nuclear physics research looked at quasi-elastic, and deep-inelastic reactions, cluster states, superdeformed nuclei, and nuclear shape effects. There were programs on accelerator mass spectroscopy, and accelerator and linac development. There were efforts in medium energy nuclear physics, weak interactions, theoretical nuclear and atomic physics, and experimental atomic and molecular physics based on accelerators and synchrotron radiation

Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates.

Science.gov (United States)

Donahue, Courtney M; Pacheco, Juan S Lezama; Keith, Jason M; Daly, Scott R

2014-06-28

S K-edge X-ray absorption spectroscopy (XAS) and time-dependent density functional theory (TDDFT) calculations were performed on a series of As[S2CNR2]3 complexes, where R2 = Et2, (CH2)5 and Ph2, to determine how dithiocarbamate substituents attached to N affect As[S2CNR2]3 electronic structure. Complimentary [PPh4][S2CNR2] salts were also studied to compare dithiocarbamate bonding in the absence of As. The XAS results indicate that changing the orientation of the alkyl substituents from trans to cis (R2 = Et2vs. (CH2)5) yields subtle variations whereas differences associated with a change from alkyl to aryl are much more pronounced. For example, despite the differences in As 4p mixing, the first features in the S K-edge XAS spectra of [PPh4][S2CNPh2] and As[S2CNPh2]3 were both shifted by 0.3 eV compared to their alkyl-substituted derivatives. DFT calculations revealed that the unique shift observed for [PPh4][S2CNPh2] is due to phenyl-induced splitting of the π* orbitals delocalized over N, C and S. A similar phenomenon accounts for the shift observed for As[S2CNPh2]3, but the presence of two unique S environments (As-S and As···S) prevented reliable analysis of As-S covalency from the XAS data. In the absence of experimental values, DFT calculations revealed a decrease in As-S orbital mixing in As[S2CNPh2]3 that stems from a redistribution of electron density to S atoms participating in weaker As···S interactions. Simulated spectra obtained from TDDFT calculations reproduce the experimental differences in the S K-edge XAS data, which suggests that the theory is accurately modeling the experimental differences in As-S orbital mixing. The results highlight how S K-edge XAS and DFT can be used cooperatively to understand the electronic structure of low symmetry coordination complexes containing S atoms in different chemical environments.

On-Ball Doping of Fullerenes : The Electronic Structure of C59N Dimers from Experiment and Theory

NARCIS (Netherlands)

Pichler, Thomas; Knupfer, Martin; Golden, Mark S.; Haffner, Stefan; Friedlein, Rainer; Fink, Jörg; Andreoni, Wanda; Curioni, Alessandro; Keshavarz-K, Majid; Bellavia-Lund, Cheryl; Sastre, Angela; Hummelen, Jan-Cornelis; Wudl, Fred

1997-01-01

We present the first studies of the electronic structure of the heterofullerene (C59N)2 using electron energy-loss spectroscopy in transmission, photoemission spectroscopy, and density functional theory calculations. Both the C 1s excitation spectra and valence band photoemission show negligible

Max-Planck-Institut fuer Physik. Werner-Heisenberg-Institut. Annual report 1994

International Nuclear Information System (INIS)

1995-05-01

After a short introduction, the projects and activitites of the scientific and technical departments are presented. The spectrum of theoretical studies ranges from problems of particle physics and field theory to astrophysical problems. The experimental activities focus mainly on accelerated particles and detectors for high-energy physics. The 1994 annual report also contains staff reports and reports on general activities in the year under report. (DG) [de

LASER SPECTROSCOPY AND TRACE ELEMENT ANALYSIS Chapter from the Energy and Environment Division Annual Report 1980

Energy Technology Data Exchange (ETDEWEB)

Various, Authors

1981-05-01

In order to control pollutants resulting from energy production and utilization, adequate methods are required for monitoring the level of various substances often present at low concentrations. The Energy and Environment Division Applied Research in Laser Spectroscopy & Analytical Techniques Program is directed toward meeting these needs, Emphasis is on the development of physical methods, as opposed to conventional chemical analysis techniques. The advantages, now widely recognized, include ultra-high sensitivity coupled with minimal sample preparation. In some instances physical methods provide multi-parameter measurements which often provide the only means of achiev·ing the sensitivity necessary for the detection of trace contaminants. Work is reported in these areas: APPLIED PHYSICS AND LASER SPECTROSCOPY RESEARCH; MICROPROCESSOR CONTROLLER ANODIC STRIPPING VOLTAMETER FOR TRACE METALS ANALYSIS IN WATER; THE SURVEY OF INSTRUMENTATION FOR ENVIRONMENTAL MONITORING; THE POSSIBLE CHRONDRITIC NATURE OF THE DANISH CRETACEOUS~TERTIARY BOUNDARY; IMPROVEMENT OF THE SENSITIVITY AND PRECISION OF NEUTRON ACTIVATION ANALYSIS OF SOME ELEMENTS IN PLANKTON AND PLANKTONIC FISH; and SOURCES OF SOME SECONDARILY WORKED OBSIDIAN ARTIFACTS FROM TIKAL, GUATEMALA.

Tautomerism methods and theories

CERN Document Server

Antonov, Liudmil

2013-01-01

Covering the gap between basic textbooks and over-specialized scientific publications, this is the first reference available to describe this interdisciplinary topic for PhD students and scientists starting in the field. The result is an introductory description providing suitable practical examples of the basic methods used to study tautomeric processes, as well as the theories describing the tautomerism and proton transfer phenomena. It also includes different spectroscopic methods for examining tautomerism, such as UV-VIs, time-resolved fluorescence spectroscopy, and NMR spectrosc

Electronic states of thiophene/phenylene co-oligomers: Extreme-ultra violet excited photoelectron spectroscopy observations and density functional theory calculations

International Nuclear Information System (INIS)

Kawaguchi, Yoshizo; Sasaki, Fumio; Mochizuki, Hiroyuki; Ishitsuka, Tomoaki; Tomie, Toshihisa; Ootsuka, Teruhisa; Watanabe, Shuji; Shimoi, Yukihiro; Yamao, Takeshi; Hotta, Shu

2013-01-01

We have investigated electronic states in the valence electron bands for the thin films of three thiophene/phenylene co-oligomer (TPCO) compounds, 2,5-bis(4-biphenylyl)thiophene (BP1T), 1,4-bis(5-phenylthiophen-2-yl)benzene (AC5), and 1,4-bis{5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}benzene (AC5-CF 3 ), by using extreme-UV excited photoelectron spectroscopy (EUPS). By comparing both EUPS spectra and secondary electron spectra between AC5 and AC5-CF 3 , we confirm that CF 3 substitution to AC5 deepens valence states by 2 eV, and increases the ionization energy by 3 eV. From the cut-off positions of secondary electron spectra, the work functions of AC5, AC5-CF 3 , and BP1T are evaluated to be 3.8 eV, 4.8 eV, and 4.0 eV, respectively. We calculate molecular orbital (MO) energy levels by the density functional theory and compare results of calculations with those of experiments. Densities of states obtained by broadening MO levels well explain the overall features of experimental EUPS spectra of three TPCOs.

DESY: Theory with flavour

Energy Technology Data Exchange (ETDEWEB)

Rueckl, R.

1989-03-15

Last year, the annual Theory Workshop at the German DESY Laboratory in Hamburg had 'Flavour Physics' as its main theme. The sighting by the UA1 experiment at CERN's proton-antiproton collider and by the ARGUS team at DESY of 'oscillations' in the electrically neutral B mesons carrying the beauty quantum number, and the measurement at CERN of a new parameter in the delicate violation of combined particle-antiparticle and left-right symraetry (CP) in the decays of neutral kaons have made this subject particularly topical.

Precision spectroscopy of molecular hydrogen ions : Towards frequency metrology of particle masses

NARCIS (Netherlands)

Roth, B.; Koelemeij, J.; Schiller, S.; Hilico, L.; Karr, Jean Philippe; Korobov, V.I.; Bakalov, D.

2008-01-01

We describe the current status of high-precision ab initio calculations of the spectra of molecular hydrogen ions (H2+ and HD+) and of two experiments for vibrational spectroscopy. The perspectives for a comparison between theory and experiment at a level of 1 part in 109 are considered.

Tutorial: Junction spectroscopy techniques and deep-level defects in semiconductors

Science.gov (United States)

Peaker, A. R.; Markevich, V. P.; Coutinho, J.

2018-04-01

The term junction spectroscopy embraces a wide range of techniques used to explore the properties of semiconductor materials and semiconductor devices. In this tutorial review, we describe the most widely used junction spectroscopy approaches for characterizing deep-level defects in semiconductors and present some of the early work on which the principles of today's methodology are based. We outline ab-initio calculations of defect properties and give examples of how density functional theory in conjunction with formation energy and marker methods can be used to guide the interpretation of experimental results. We review recombination, generation, and trapping of charge carriers associated with defects. We consider thermally driven emission and capture and describe the techniques of Deep Level Transient Spectroscopy (DLTS), high resolution Laplace DLTS, admittance spectroscopy, and scanning DLTS. For the study of minority carrier related processes and wide gap materials, we consider Minority Carrier Transient Spectroscopy (MCTS), Optical DLTS, and deep level optical transient spectroscopy together with some of their many variants. Capacitance, current, and conductance measurements enable carrier exchange processes associated with the defects to be detected. We explain how these methods are used in order to understand the behaviour of point defects and the determination of charge states and negative-U (Hubbard correlation energy) behaviour. We provide, or reference, examples from a wide range of materials including Si, SiGe, GaAs, GaP, GaN, InGaN, InAlN, and ZnO.

Probing Surface-Adlayer Conjugation on Organic-Modified Si(111) Surfaces with Microscopy, Scattering, Spectroscopy, and Density Functional Theory

International Nuclear Information System (INIS)

Kellar, Joshua A.; Lin, Jui-Ching; Kim, Jun-Hyun; Yoder, Nathan L.; Bevan, Kirk H.; Stokes, Grace Y.; Geiger, Franz M.; Nguyen, SonBinh T.; Bedzyk, Michael J.; Hersam, Mark C.

2009-01-01

Highly conjugated molecules bound to silicon are promising candidates for organosilicon electronic devices and sensors. In this study, 1-bromo-4-ethynylbenzene was synthesized and reacted with a hydrogen-passivated Si(111) surface via ultraviolet irradiation. Through an array of characterization and modeling tools, the binding configuration and morphology of the reacted molecule were thoroughly analyzed. Atomic force microscopy confirmed an atomically flat surface morphology following reaction, while X-ray photoelectron spectroscopy verified reaction to the surface via the terminal alkyne moiety. In addition, synchrotron X-ray characterization, including X-ray reflectivity, X-ray fluorescence, and X-ray standing wave measurements, enabled sub-angstrom determination of the position of the bromine atom with respect to the silicon lattice. This structural characterization was quantitatively compared with density functional theory (DFT) calculations, thus enabling the π-conjugation of the terminal carbon atoms to be deduced. The X-ray and DFT results were additionally corroborated with the vibrational spectrum of the organic adlayer, which was measured with sum frequency generation. Overall, these results illustrate that the terminal carbon atoms in 1-bromo-4-ethynylbenzene adlayers on Si(111) retain π-conjugation, thus revealing alkyne molecules as promising candidates for organosilicon electronics and sensing.

New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy.

Science.gov (United States)

Wang, Shaofeng; Ma, Xu; Zhang, Guoqing; Jia, Yongfeng; Hatada, Keisuke

2016-11-15

Hydrous ferric arsenate (HFA) is an important arsenic-bearing precipitate in the mining-impacted environment and hydrometallurgical tailings. However, there is no agreement on its local atomic structure. The local structure of HFA was reprobed by employing a full-potential multiple scattering (FPMS) analysis, density functional theory (DFT) calculations, and vibrational spectroscopy. The FPMS simulations indicated that the coordination number of the As-Fe, Fe-As, or both in HFA was approximately two. The DFT calculations constructed a structure of HFA with the formula of Fe(HAsO 4 ) x (H 2 AsO 4 ) 1-x (OH) y ·zH 2 O. The presence of protonated arsenate in HFA was also evidenced by vibrational spectroscopy. The As and Fe K-edge X-ray absorption near-edge structure spectra of HFA were accurately reproduced by FPMS simulations using the chain structure, which was also a reasonable model for extended X-Ray absorption fine structure fitting. The FPMS refinements indicated that the interatomic Fe-Fe distance was approximately 5.2 Å, consistent with that obtained by Mikutta et al. (Environ. Sci. Technol. 2013, 47 (7), 3122-3131) using wavelet analysis. All of the results suggested that HFA was more likely to occur as a chain with AsO 4 tetrahedra and FeO 6 octahedra connecting alternately in an isolated bidentate-type fashion. This finding is of significance for understanding the fate of arsenic and the formation of ferric arsenate minerals in an acidic environment.

Neutron Capture Gamma-Ray Spectroscopy. Proceedings of the International Symposium on Neutron Capture Gamma-Ray Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

NONE

1969-11-15

Experimental capabilities in the field of neutron capture gamma-ray spectroscopy have expanded greatly in the last few years; this has been due in large part to the advent of high-quality Ge(Li) detectors, improvements in electronic data processing, and improvements in bent-crystal spectrometers. Previously unsuspected phenomena, such as the '5. 5-MeV1 anomaly, have appeared and new research tools, such as neutron guide tubes, have been brought into use. Equally exciting developments have occurred in the theory of neutron capture. Complex spectra have yielded to analysis after account had been taken of such effects as vibration, rotation and Coriolis forces, and the theoretical prediction of capture spectra seems to be a future possibility. In view of the International Atomic Energy Agency's close interest in this subject and the need for an international exchange of ideas to analyse and study the latest developments, the organizers of the Symposium felt that work on neutron capture gamma-ray spectroscopy had achieved such valuable and significant results that the time had come for this information to be presented, examined and discussed internationally.

Neutron Capture Gamma-Ray Spectroscopy. Proceedings of the International Symposium on Neutron Capture Gamma-Ray Spectroscopy

International Nuclear Information System (INIS)

1969-01-01

Experimental capabilities in the field of neutron capture gamma-ray spectroscopy have expanded greatly in the last few years; this has been due in large part to the advent of high-quality Ge(Li) detectors, improvements in electronic data processing, and improvements in bent-crystal spectrometers. Previously unsuspected phenomena, such as the '5. 5-MeV1 anomaly, have appeared and new research tools, such as neutron guide tubes, have been brought into use. Equally exciting developments have occurred in the theory of neutron capture. Complex spectra have yielded to analysis after account had been taken of such effects as vibration, rotation and Coriolis forces, and the theoretical prediction of capture spectra seems to be a future possibility. In view of the International Atomic Energy Agency's close interest in this subject and the need for an international exchange of ideas to analyse and study the latest developments, the organizers of the Symposium felt that work on neutron capture gamma-ray spectroscopy had achieved such valuable and significant results that the time had come for this information to be presented, examined and discussed internationally

Photoelectron spectroscopy of molecular beams

International Nuclear Information System (INIS)

Berkowitz, J.

1974-01-01

The history of physical science is replete with examples of phenomena initially discovered and investigated by physicists, which have subsequently become tools of the chemist. It is demonstrated in this paper that the field of photoelectron spectroscopy may develop in a reverse fashion. After a brief introduction to the subject, the properties characterized as physical ones, are discussed. These are intensities and angular distributions, from which one can infer transition probabilities and phase shifts. Three separate experiments are described which involve accurate intensity measurements and it is shown how an interpretation of the results by appropriate theory has given new insight into the photoionization process. (B.R.H.)

Laser spectroscopy of a halocarbocation in the gas phase: CH2I+.

Science.gov (United States)

Tao, Chong; Mukarakate, Calvin; Reid, Scott A

2006-07-26

We report the first gas-phase observation of the electronic spectrum of a simple halocarbocation, CH2I+. The ion was generated rotationally cold (Trot approximately 20 K) using pulsed discharge methods and was detected via laser spectroscopy. The identity of the spectral carrier was confirmed by modeling the rotational contour observed in the excitation spectra and by comparison of ground state vibrational frequencies determined by single vibronic level emission spectroscopy with Density Functional Theory (DFT) predictions. The transition was assigned as 3A1 gas phase should open new avenues for study of the structure and reactivity of these important ions.

Model uncertainties of local-thermodynamic-equilibrium K-shell spectroscopy

Science.gov (United States)

Nagayama, T.; Bailey, J. E.; Mancini, R. C.; Iglesias, C. A.; Hansen, S. B.; Blancard, C.; Chung, H. K.; Colgan, J.; Cosse, Ph.; Faussurier, G.; Florido, R.; Fontes, C. J.; Gilleron, F.; Golovkin, I. E.; Kilcrease, D. P.; Loisel, G.; MacFarlane, J. J.; Pain, J.-C.; Rochau, G. A.; Sherrill, M. E.; Lee, R. W.

2016-09-01

Local-thermodynamic-equilibrium (LTE) K-shell spectroscopy is a common tool to diagnose electron density, ne, and electron temperature, Te, of high-energy-density (HED) plasmas. Knowing the accuracy of such diagnostics is important to provide quantitative conclusions of many HED-plasma research efforts. For example, Fe opacities were recently measured at multiple conditions at the Sandia National Laboratories Z machine (Bailey et al., 2015), showing significant disagreement with modeled opacities. Since the plasma conditions were measured using K-shell spectroscopy of tracer Mg (Nagayama et al., 2014), one concern is the accuracy of the inferred Fe conditions. In this article, we investigate the K-shell spectroscopy model uncertainties by analyzing the Mg spectra computed with 11 different models at the same conditions. We find that the inferred conditions differ by ±20-30% in ne and ±2-4% in Te depending on the choice of spectral model. Also, we find that half of the Te uncertainty comes from ne uncertainty. To refine the accuracy of the K-shell spectroscopy, it is important to scrutinize and experimentally validate line-shape theory. We investigate the impact of the inferred ne and Te model uncertainty on the Fe opacity measurements. Its impact is small and does not explain the reported discrepancies.

Terahertz spectroscopy

DEFF Research Database (Denmark)

Jepsen, Peter Uhd

2009-01-01

In this presentation I will review methods for spectroscopy in the THz range, with special emphasis on the practical implementation of the technique known ad THz time-domain spectroscopy (THz-TDS). THz-TDS has revived the old field of far-infrared spectroscopy, and enabled a wealth of new...... activities that promise commercial potential for spectroscopic applications in the THz range. This will be illustrated with examples of spectroscopy of liquids inside their bottles as well as sensitive, quantitative spectroscopy in waveguides....

Operando Raman Micro Spectroscopy of Polymer Electrolyte Fuel Cells

Science.gov (United States)

2016-01-16

the cathode , transitions ion exchange sites from the sulfonic acid to the dissociated sulfonate form. Visualization of density functional theory...catalysts dispersed in an alcoholic dispersion of solubilized ionomer (e.g., Nafion). Teflon dispersion is included in cathode inks to lower the surface...tolerant of condensed water, is complementary to FTIR. Operando Raman spectroscopy of solid oxide fuel cells has been reported.28–30 Although there are

Tunneling spectroscopy in NbN based Josephson junctions

International Nuclear Information System (INIS)

Chicault, R.; Villegier, J.C.

1984-08-01

Tunneling spectroscopy in high quality NbN-oxide-Pb(In) diodes offers a direct observation of various NbN and Pb phonon frequences as other vibrating modes existing near the tunnel barrier. The large number of peaks attribuated to dips in the transverses and longitudinal acoustic branches of NbN dispersion curves are found to confirm the previous theory developing the contribution of these modes to the strong coupling and high Tc behavior of NbN

Mathematical model for biomolecular quantification using surface-enhanced Raman spectroscopy based signal intensity distributions

DEFF Research Database (Denmark)

Palla, Mirko; Bosco, Filippo Giacomo; Yang, Jaeyoung

2015-01-01

This paper presents the development of a novel statistical method for quantifying trace amounts of biomolecules by surface-enhanced Raman spectroscopy (SERS) using a rigorous, single molecule (SM) theory based mathematical derivation. Our quantification framework could be generalized for planar...

Aromatic C-H bond activation revealed by infrared multiphoton dissociation spectroscopy

Czech Academy of Sciences Publication Activity Database

Jašíková, L.; Hanikýřová, E.; Schröder, Detlef; Roithová, J.

2012-01-01

Roč. 47, č. 4 (2012), s. 460-465 ISSN 1076-5174 Grant - others:GA ČR(CZ) GAP207/11/0338; Seventh Framework Program(XE) 226716 Institutional research plan: CEZ:AV0Z40550506 Keywords : C-H activation * density functional theory calculations * ion spectroscopy * metal oxides * rearrangements Subject RIV: CC - Organic Chemistry Impact factor: 3.214, year: 2012

Development of an x-ray beam line at the NSLS for studies in materials science using x-ray absorption spectroscopy: Annual progress report

International Nuclear Information System (INIS)

Sayers, D.E.

1986-01-01

Although only in operation since May, 1985, the X-11 participation research team (PRT) at the NSLS has already demonstrated that it is one of the leading centers of x-ray absorption spectroscopy (XAS). During this time, results have been obtained and programs initiated in a number of areas, for example: interfaces, including deposited metal-metal and metal-semiconductor systems, multilayers and ion implanted layers; electrochemical systems, including Pt electrode fuel cells, Ni oxide battery electrodes, conducting polymers, passivation and corrosion; catalysts, including highly-dispersed supported metal catalysts and zeolite systems; quasi-crystals, heavy fermion systems, uranium and neptunium compounds, rare gas clusters, disordered metals and semiconductors, ferroelectric transition; and, biological systems and related models, including synthetic porphyrins and a number of metalloproteins. In concert with these scientific results have been a number of developments involving the technique itself. These include implementation of unique optical systems on both the A and B lines for optical performance over their designed energy ranges, advances in experimental capability, particular in glancing angle studies, optimization of ion chambers for surface studies, the improvement of electron yield detectors, and improved software for data acquisition and analysis. This report emphasizes some of the research highlights and significant developments of our PRT which occurred during the past year. A detailed bibliography of papers and talks resulting from work done at our beamline and the progress reports for our PRT which were in the 1985 NSLS Annual Report are appended

Plasmonics theory and applications

CERN Document Server

Shahbazyan, Tigran V

2014-01-01

This contributed volume summarizes recent theoretical developments in plasmonics and its applications in physics, chemistry, materials science, engineering, and medicine. It focuses on recent advances in several major areas of plasmonics including plasmon-enhanced spectroscopies, light scattering, many-body effects, nonlinear optics, and ultrafast dynamics. The theoretical and computational methods used in these investigations include electromagnetic calculations, density functional theory calculations, and nonequilibrium electron dynamics calculations. The book presents a comprehensive overview of these methods as well as their applications to various current problems of interest.

MPI fuer Physik und Astrophysik. Werner-Heisenberg-Institut fuer Physik - annual report 1983

International Nuclear Information System (INIS)

1983-12-01

This annual report contains short description of the work performed at the named institute together with a list of publications and speeches. The work concerns experiments at CERN and at the storage rings PETRA and CESR, theoretical work on unified field theories and supersymmetry, as well as developments of the ALEPH detector for the LEP storage ring. (HSI) [de

B and D Spectroscopy at LEP

CERN Document Server

Muheim, Franz

1999-02-17

Results from the four LEP experiments ALEPH, DELPHI, L3, and OPAL on the spectroscopy of B and charmed mesons are presented. The predictions of Heavy Quark Effective Theory (HQET) for the masses and the widths of excited L=1 B mesons are supported by a new measurement from L3. A few B_c candidate eve nts have masses consistent with the recent CDF observation and the predictions. New results on Ddstar production and B -> Ddstar l nu are also presented. The evidence for a Dstarpr meson reported recently by DELPHI is not supported by OPAL and CLEO.

PELAPORAN CORPORATE SOCIAL RESPONSIBILITY PERBANKAN SYARIAH DALAM PERSPEKTIF SYARIAH ENTERPRISE THEORY

OpenAIRE

Syuhada Mansur

2011-01-01

This study aims to analyze the reporting of corporate social responsibility (CSR) in Islamic banking based on concept of sharia enterprise theory. The research was done by analyzing how the Bank Syariah Mandiri (BSM) reported their corporate social responsibility . This study uses a case study of annual reports BSM and then analysis based on the disclosure of social responsibility based on sharia enterprise theory. These results show that the social responsibility reporting of Bank Syariah...

DESY: Theory with flavour

International Nuclear Information System (INIS)

Rueckl, R.

1989-01-01

Last year, the annual Theory Workshop at the German DESY Laboratory in Hamburg had 'Flavour Physics' as its main theme. The sighting by the UA1 experiment at CERN's proton-antiproton collider and by the ARGUS team at DESY of 'oscillations' in the electrically neutral B mesons carrying the beauty quantum number, and the measurement at CERN of a new parameter in the delicate violation of combined particle-antiparticle and left-right symraetry (CP) in the decays of neutral kaons have made this subject particularly topical

9th International Conference on Operator Theory

CERN Document Server

Pearcy, C; Sz-Nagy, B; Vasilescu, F-H; Voiculescu, Dan; Arsene, Gr

1986-01-01

The annual Operator Theory conferences, organized by the Department of Mathematics of INC REST and the University of Timi?oara, are intended to promote cooperation and exchange of information between specialists in all areas of operator theory. This volume consists of papers contributed by the participants of the 1984 Conference. They reflect a great variety of topics, dealt with by the modern operator theory, including very recent advances in the invariant subspace problem, subalgebras of operator algebras, hyponormal, Hankel and other special classes of operators, spectral decompositions, aspects of dilation theory and so on. The research contracts of the Department of Mathematics of INCREST with the National Council for Science and Technology of Romania provided the means for developing the research activity in mathematics; they represent the generous framework of these meetings, too. It is our pleasure to acknowledge the financial support of UNESCO which also contibuted to the success of this meeting. We ...

Defects and diffusion, theory and simulation an annual retrospective I

CERN Document Server

Fisher, David J

2009-01-01

This first volume, in a new series covering entirely general results in the fields of defects and diffusion, includes abstracts of papers which appeared between the beginning of 2008 and the end of October 2009 (journal availability permitting).This new series replaces the 'general' section which was previously part of each issue of the Metals, Ceramics and Semiconductor retrospective series. As well as 356 abstracts, the volume includes original papers on all of the usual material groups: ""Predicting Diffusion Coefficients from First Principles via Eyring's Reaction Rate Theory"" (Mantina, C

Determination of elastic modulus for hollow spherical shells via resonant ultrasound spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ma, Xiaojun [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Xing; Wang, Zongwei [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Chen, Qian; Qian, Menglu [Institute of Acoustic, Tongji University, Shanghai 200092 (China); Meng, Jie [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Yongjian [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Shen, Hao [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Gao, Dangzhong, E-mail: dgaocn@163.com [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China)

2017-04-15

Highlights: • The axisymmetric frequency equation of an isotropic hollow two-layer sphere is deduced by three dimension elasticity theory and global matrix method. • The simulated results demonstrate that the natural frequencies of a hollow sphere are more strongly dependent on Young’s modulus than Poisson's ratio. • The Young’s moduli of polymer capsules with an sub-millimeter inner radius are measured accurately with an uncertainty of ∼10%. - Abstract: The elastic property of a capsule is one of the essential parameters both in engineering applications and scientific understanding of material nature in inertial confinement fusion (ICF) experiments. The axisymmetric frequency equation of an isotropic hollow two-layer sphere is deduced by three dimension elasticity theory and global matrix method, and a combined resonant ultrasound spectroscopy(RUS), which consists of a piezoelectric-based resonant ultrasound spectroscopy(PZT-RUS) and a laser-based resonant ultrasound spectroscopy(LRUS), is developed for determining the elastic modulus of capsule. To understand the behavior of natural frequencies varying with elastic properties, the dependence of natural frequencies on Young’s modulus and Poisson’s ratio are calculated numerically. Some representative polymer capsules are measured using PZT-RUS and LRUS. Based on the theoretical and experimental results, the Young’s moduli of these capsules are measured accurately with an uncertainty of ∼10%.

Density and temperature measurement using CARS spectroscopy

International Nuclear Information System (INIS)

Hirth, A.; Vollrath, K.

1979-01-01

Coherent Anti Stokes Raman Scattering (CARS) a technique derived from nonlinear optics offers two major advantages compared with the spontaneous Raman method: improved scattering efficiency and spatial coherence of the scattered signal. The theory of the coherent mixing in resonant media serves as a quantitative background of the CARS technique. A review of several applications on plasma physics and gasdynamics is given, which permits to consider the CARS spectroscopy as a potential method for nonintrusive measurement of local concentration and temperature in gas flows and reactive media. (Auth.)

System Theory and Physiological Processes.

Science.gov (United States)

Jones, R W

1963-05-03

Engineers and physiologists working together in experimental and theoretical studies predict that the application of system analysis to biological processes will increase understanding of these processes and broaden the base of system theory. Richard W. Jones, professor of electrical engineering at Northwestern University, Evanston, Illinois, and John S. Gray, professor of physiology at Northwestern's Medical School, discuss these developments. Their articles are adapted from addresses delivered in Chicago in November 1962 at the 15th Annual Conference on Engineering in Medicine and Biology.

Max-Planck-Institute for Nuclear Physics. Annual report 1986

International Nuclear Information System (INIS)

Klapdor, H.V.; Jessberger, E.K.

1987-01-01

This annual report contains short descriptions of the research performed at the given institute together with an extensive list of publications. The research in nuclear physics is concerned with developments in accelerators and ion sources, radiation detectors, solid-state studies by nuclear methods, counting circuits, data processing, target preparation, fission, fusion, and nuclear friction, giant resonances, nuclear spectroscopy, nuclear reaction mechanisms, atomic physics and interaction of charged particles with matter, medium and high energy physics. The research in cosmophysics works on meteorites and lunar rocks, the gallium-solar-neutrino experiment (project GALLEX), problems of Halley's comet, interplanetary and interstellar dust, planetary atmospheres, interstellar medium and cosmic rays, molecular collision processes in the gas phase, nuclear geology and geochemistry, and archaeometry. (GG)

Gamma Spectroscopy

NARCIS (Netherlands)

Niemantsverdriet, J.W.; Butz, Tilman; Ertl, G.; Knözinger, H.; Schüth, F.

2008-01-01

No abstract. The sections in this article are 1 Introduction 2 Mössbauer Spectroscopy 3 Time-Differential Perturbed Angular Correlations (TDPAC) 4 Conclusions and Outlook Keywords: Mössbauer spectroscopy; gamma spectroscopy; perturbed angular correlation; TDPAC

Neutron resonance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Gunsing, F

2005-06-15

The present document has been written in order to obtain the diploma 'Habilitation a Diriger des Recherches'. Since this diploma is indispensable to supervise thesis students, I had the intention to write a document that can be useful for someone starting in the field of neutron resonance spectroscopy. Although the here described topics are already described elsewhere, and often in more detail, it seemed useful to have most of the relevant information in a single document. A general introduction places the topic of neutron-nucleus interaction in a nuclear physics context. The large variations of several orders of magnitude in neutron-induced reaction cross sections are explained in terms of nuclear level excitations. The random character of the resonances make nuclear model calculation predictions impossible. Then several fields in physics where neutron-induced reactions are important and to which I have contributed in some way or another, are mentioned in a first synthetic chapter. They concern topics like parity nonconservation in certain neutron resonances, stellar nucleosynthesis by neutron capture, and data for nuclear energy applications. The latter item is especially important for the transmutation of nuclear waste and for alternative fuel cycles. Nuclear data libraries are also briefly mentioned. A second chapter details the R-matrix theory. This formalism is the foundation of the description of the neutron-nucleus interaction and is present in all fields of neutron resonance spectroscopy. (author)

Game Theory and Risk-Based Levee System Design

Science.gov (United States)

Hui, R.; Lund, J. R.; Madani, K.

2014-12-01

Risk-based analysis has been developed for optimal levee design for economic efficiency. Along many rivers, two levees on opposite riverbanks act as a simple levee system. Being rational and self-interested, land owners on each river bank would tend to independently optimize their levees with risk-based analysis, resulting in a Pareto-inefficient levee system design from the social planner's perspective. Game theory is applied in this study to analyze decision making process in a simple levee system in which the land owners on each river bank develop their design strategies using risk-based economic optimization. For each land owner, the annual expected total cost includes expected annual damage cost and annualized construction cost. The non-cooperative Nash equilibrium is identified and compared to the social planner's optimal distribution of flood risk and damage cost throughout the system which results in the minimum total flood cost for the system. The social planner's optimal solution is not feasible without appropriate level of compensation for the transferred flood risk to guarantee and improve conditions for all parties. Therefore, cooperative game theory is then employed to develop an economically optimal design that can be implemented in practice. By examining the game in the reversible and irreversible decision making modes, the cost of decision making myopia is calculated to underline the significance of considering the externalities and evolution path of dynamic water resource problems for optimal decision making.

Estimates of annual survival probabilities for adult Florida manatees (Trichechus manatus latirostris)

Science.gov (United States)

Langtimm, C.A.; O'Shea, T.J.; Pradel, R.; Beck, C.A.

1998-01-01

The population dynamics of large, long-lived mammals are particularly sensitive to changes in adult survival. Understanding factors affecting survival patterns is therefore critical for developing and testing theories of population dynamics and for developing management strategies aimed at preventing declines or extinction in such taxa. Few studies have used modern analytical approaches for analyzing variation and testing hypotheses about survival probabilities in large mammals. This paper reports a detailed analysis of annual adult survival in the Florida manatee (Trichechus manatus latirostris), an endangered marine mammal, based on a mark-recapture approach. Natural and boat-inflicted scars distinctively 'marked' individual manatees that were cataloged in a computer-based photographic system. Photo-documented resightings provided 'recaptures.' Using open population models, annual adult-survival probabilities were estimated for manatees observed in winter in three areas of Florida: Blue Spring, Crystal River, and the Atlantic coast. After using goodness-of-fit tests in Program RELEASE to search for violations of the assumptions of mark-recapture analysis, survival and sighting probabilities were modeled under several different biological hypotheses with Program SURGE. Estimates of mean annual probability of sighting varied from 0.948 for Blue Spring to 0.737 for Crystal River and 0.507 for the Atlantic coast. At Crystal River and Blue Spring, annual survival probabilities were best estimated as constant over the study period at 0.96 (95% CI = 0.951-0.975 and 0.900-0.985, respectively). On the Atlantic coast, where manatees are impacted more by human activities, annual survival probabilities had a significantly lower mean estimate of 0.91 (95% CI = 0.887-0.926) and varied unpredictably over the study period. For each study area, survival did not differ between sexes and was independent of relative adult age. The high constant adult-survival probabilities estimated

Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

International Nuclear Information System (INIS)

Bokarev, S.I.; Hilal, R.; Aziz, S.G.; Kühn, O.

2017-01-01

To date, X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we report on the development of an efficient and versatile theoretical methodology for the treatment of soft X-ray spectra of transition metal compounds based on the multi-configurational self-consistent field electronic structure theory. A special focus is put on the L-edge photon-in/photon-out and photon-in/electron-out processes, i.e. X-ray absorption, resonant inelastic scattering, partial fluorescence yield, and photoelectron spectroscopy, all treated on the same theoretical footing. The investigated systems range from small prototypical coordination compounds and catalysts to aggregates of biomolecules.

Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. I. Formal theory

Science.gov (United States)

Mikosch, Jochen; Patchkovskii, Serguei

2013-10-01

We derive a formal theory of noisy Poisson processes with multiple outcomes. We obtain simple, compact expressions for the probability distribution function of arbitrarily complex composite events and its moments. We illustrate the utility of the theory by analyzing properties of coincidence and covariance photoelectron-photoion detection involving single-ionization events. The results and techniques introduced in this work are directly applicable to more general coincidence and covariance experiments, including multiple ionization and multiple-ion fragmentation pathways.

Sub-Doppler spectroscopy

International Nuclear Information System (INIS)

Hansch, T.W.

1983-01-01

This chapter examines Doppler-free saturation spectroscopy, tunable cw sources, and Doppler-free two-photon spectroscopy. Discusses saturation spectroscopy; continuous wave saturation spectroscopy in the ultraviolet; and two-photon spectroscopy of atomic hydrogen 1S-2S. Focuses on Doppler-free laser spectroscopy of gaseous samples. Explains that in saturation spectroscopy, a monochromatic laser beam ''labels'' a group of atoms within a narrow range of axial velocities through excitation or optical pumping, and a Doppler-free spectrum of these selected atoms is observed with a second, counterpropagating beam. Notes that in two-photon spectroscopy it is possible to record Doppler-free spectra without any need for velocity selection by excitation with two counterpropagating laser beams whose first order Doppler shifts cancel

Adducts of nitrogenous ligands with rhodium(II) tetracarboxylates and tetraformamidinate: NMR spectroscopy and density functional theory calculations.

Science.gov (United States)

Cmoch, Piotr; Głaszczka, Rafał; Jaźwiński, Jarosław; Kamieński, Bohdan; Senkara, Elżbieta

2014-03-01

Complexation of tetrakis(μ2-N,N'-diphenylformamidinato-N,N')-di-rhodium(II) with ligands containing nitrile, isonitrile, amine, hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups has been studied in liquid and solid phases using (1)H, (13)C and (15)N NMR, (13)C and (15)N cross polarisation-magic angle spinning NMR, and absorption spectroscopy in the visible range. The complexation was monitored using various NMR physicochemical parameters, such as chemical shifts, longitudinal relaxation times T1 , and NOE enhancements. Rhodium(II) tetraformamidinate selectively bonded only unbranched amine (propan-1-amine), pentanenitrile, and (1-isocyanoethyl)benzene. No complexation occurred in the case of ligands having hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups, and more expanded amine molecules such as butan-2-amine and 1-azabicyclo[2.2.2]octane. Such features were opposite to those observed in rhodium(II) tetracarboxylates, forming adducts with all kind of ligands. Special attention was focused on the analysis of Δδ parameters, defined as a chemical shift difference between signal in adduct and corresponding signal in free ligand. In the case of (1)H NMR, Δδ values were either negative in adducts of rhodium(II) tetraformamidinate or positive in adducts of rhodium(II) tetracarboxylates. Experimental findings were supported by density functional theory molecular modelling and gauge independent atomic orbitals chemical shift calculations. The calculation of chemical shifts combined with scaling procedure allowed to reproduce qualitatively Δδ parameters. Copyright © 2013 John Wiley & Sons, Ltd.

Microscopic theory of nuclear collective dynamics

International Nuclear Information System (INIS)

Sakata, Fumihiko; Marumori, Toshio; Hashimoto, Yukio; Tsukuma, Hidehiko; Yamamoto, Yoshifumi; Iwasawa, Kazuo.

1990-10-01

A recent development of the INS-TSUKUBA joint research project on large-amplitude collective motion is summarized by putting special emphasis on an inter-relationship between quantum chaos and nuclear spectroscopy. Aiming at introducing various concepts used in this lecture, we start with recapitulating the semi-classical theory of nuclear collective dynamics formulated within the time-dependent Hartree-Fock (TDHF) theory. The central part of the semi-classical theory is provided by the self-consistent collective coordinate (SCC) method which has been developed to properly take account of the non-linear dynamics specific for the finite many-body quantum system. A decisive role of the level crossing dynamics on the order-to-chaos transition of collective motion is discussed in detail. Extending the basic idea of the semi-classical theory, we discuss a full quantum theory of nuclear collective dynamics which allows us to properly define a concept of the quantum integrability as well as the quantum chaoticity for each eigenfunction. The lecture is arranged so as to clearly show the similar structure between the semi-classical and quantum theories of nuclear collective dynamics. Using numerical calculations, we illustrate what the quantum chaos for each eigenfunction means and relate it to the usual definition of quantum chaos for nearest neighbor level spacing statistics based on the random matrix theory. (author)

Spectroscopy of organic semiconductors from first principles

Science.gov (United States)

Sharifzadeh, Sahar; Biller, Ariel; Kronik, Leeor; Neaton, Jeffery

2011-03-01

Advances in organic optoelectronic materials rely on an accurate understanding their spectroscopy, motivating the development of predictive theoretical methods that accurately describe the excited states of organic semiconductors. In this work, we use density functional theory and many-body perturbation theory (GW/BSE) to compute the electronic and optical properties of two well-studied organic semiconductors, pentacene and PTCDA. We carefully compare our calculations of the bulk density of states with available photoemission spectra, accounting for the role of finite temperature and surface effects in experiment, and examining the influence of our main approximations -- e.g. the GW starting point and the application of the generalized plasmon-pole model -- on the predicted electronic structure. Moreover, our predictions for the nature of the exciton and its binding energy are discussed and compared against optical absorption data. We acknowledge DOE, NSF, and BASF for financial support and NERSC for computational resources.

Dynamics of Exciton Relaxation in LH2 Antenna Probed by Multipulse Nonlinear Spectroscopy

NARCIS (Netherlands)

Novoderezhkin, V.I.; Cohen Stuart, T.A.; van Grondelle, R.

2011-01-01

We explain the relaxation dynamics in the LH2-B850 antenna as revealed by multipulse pump - dump - probe spectroscopy (Th. A. Cohen StuartM. VengrisV. I. NovoderezhkinR. J. CogdellC. N. HunterR. van Grondelle, submitted). The theory of pump - dump - probe response is evaluated using the doorway -

Physics Division annual review, 1 April 1982-31 March 1983

International Nuclear Information System (INIS)

Gemmell, D.S.

1983-06-01

Nuclear, atomic, and molecular physics research activities at ANL are described. Progress summaries are given under general headings: medium-energy physics research (nuclear structure, two-nucleon physics with pions and electrons, weak interactions, particle searches, measurement of the electric dipole moment of the neutron, and GeV electron microtron); research at the tandem and superconducting linac (high angular momentum states in nuclei, fusion of heavy ions, reaction mechanisms and distribution of reaction strengths, accelerator mass spectrometry, selected nuclear spectroscopy at the tandem-linac, and equipment development at the tandem-linac facility); theoretical nuclear physics (nuclear forces and subnucleon degrees of freedom, variational calculations of finite many-body systems, nuclear shell theory and nuclear structure, intermediate energy physics, and heavy-ion reactions); the superconducting linac; accelerator operations (tandem-linac and the Dynamitron facility); and data acquisition and analysis systems. Atomic and molecular physics research is reported under the following broad headings: photoionization-photoelectron research, high-resolution laser-rf spectroscopy, beam-foil research and collision dynamics of heavy ions, interactions of fast atomic and molecular ions with solid and gaseous targets, theoretical atomic physics, and electron spectroscopy with fast atomic and molecular-ion beams. Publications are listed

Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.

Science.gov (United States)

Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F

2018-02-13

Computation of nonlinear optical response functions allows for an in-depth connection between theory and experiment. Experimentally recorded spectra provide a high density of information, but to objectively disentangle overlapping signals and to reach a detailed and reliable understanding of the system dynamics, measurements must be integrated with theoretical approaches. Here, we present a new, highly accurate and efficient trajectory-based semiclassical path integral method for computing higher order nonlinear optical response functions for non-Markovian open quantum systems. The approach is, in principle, applicable to general Hamiltonians and does not require any restrictions on the form of the intrasystem or system-bath couplings. This method is systematically improvable and is shown to be valid in parameter regimes where perturbation theory-based methods qualitatively breakdown. As a test of the methodology presented here, we study a system-bath model for a coupled dimer for which we compare against numerically exact results and standard approximate perturbation theory-based calculations. Additionally, we study a monomer with discrete vibronic states that serves as the starting point for future investigation of vibronic signatures in nonlinear electronic spectroscopy.

Effective-field theories for heavy quarkonium

International Nuclear Information System (INIS)

Brambilla, Nora; Pineda, Antonio; Soto, Joan; Vairo, Antonio

2005-01-01

This article reviews recent theoretical developments in heavy-quarkonium physics from the point of view of effective-field theories of QCD. We discuss nonrelativistic QCD and concentrate on potential nonrelativistic QCD. The main goal will be to derive Schroedinger equations based on QCD that govern heavy-quarkonium physics in the weak- and strong-coupling regimes. Finally, the review discusses a selected set of applications, which include spectroscopy, inclusive decays, and electromagnetic threshold production

On logical, algebraic, and probabilistic aspects of fuzzy set theory

CERN Document Server

Mesiar, Radko

2016-01-01

The book is a collection of contributions by leading experts, developed around traditional themes discussed at the annual Linz Seminars on Fuzzy Set Theory. The different chapters have been written by former PhD students, colleagues, co-authors and friends of Peter Klement, a leading researcher and the organizer of the Linz Seminars on Fuzzy Set Theory. The book also includes advanced findings on topics inspired by Klement’s research activities, concerning copulas, measures and integrals, as well as aggregation problems. Some of the chapters reflect personal views and controversial aspects of traditional topics, while others deal with deep mathematical theories, such as the algebraic and logical foundations of fuzzy set theory and fuzzy logic. Originally thought as an homage to Peter Klement, the book also represents an advanced reference guide to the mathematical theories related to fuzzy logic and fuzzy set theory with the potential to stimulate important discussions on new research directions in the fiel...

Strong equivalence, Lorentz and CPT violation, anti-hydrogen spectroscopy and gamma-ray burst polarimetry

International Nuclear Information System (INIS)

Shore, Graham M.

2005-01-01

The strong equivalence principle, local Lorentz invariance and CPT symmetry are fundamental ingredients of the quantum field theories used to describe elementary particle physics. Nevertheless, each may be violated by simple modifications to the dynamics while apparently preserving the essential fundamental structure of quantum field theory itself. In this paper, we analyse the construction of strong equivalence, Lorentz and CPT violating Lagrangians for QED and review and propose some experimental tests in the fields of astrophysical polarimetry and precision atomic spectroscopy. In particular, modifications of the Maxwell action predict a birefringent rotation of the direction of linearly polarised radiation from synchrotron emission which may be studied using radio galaxies or, potentially, gamma-ray bursts. In the Dirac sector, changes in atomic energy levels are predicted which may be probed in precision spectroscopy of hydrogen and anti-hydrogen atoms, notably in the Doppler-free, two-photon 1s-2s and 2s-nd (n∼10) transitions

Ferric Complexes of 3-Hydroxy-4-pyridinones Characterized by Density Functional Theory and Raman and UV−vis Spectroscopies

Czech Academy of Sciences Publication Activity Database

Šebestík, Jaroslav; Šafařík, Martin; Bouř, Petr

2012-01-01

Roč. 51, č. 8 (2012), s. 4473-4481 ISSN 0020-1669 R&D Projects: GA ČR GA203/07/1517; GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200550902 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman spectroscopy * UV-Vis spectroscopy * DFT * CAM-B3LYP * deferipron Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.593, year: 2012

Iron line spectroscopy with Einstein-dilaton-Gauss-Bonnet black holes

Science.gov (United States)

Nampalliwar, Sourabh; Bambi, Cosimo; Kokkotas, Kostas D.; Konoplya, Roman A.

2018-06-01

Einstein-dilaton-Gauss-Bonnet gravity is a well-motivated alternative theory of gravity that emerges naturally from string theory. While black hole solutions have been known in this theory in numerical form for a while, an approximate analytical metric was obtained recently by some of us, which allows for faster and more detailed analysis. Here we test the accuracy of the analytical metric in the context of X-ray reflection spectroscopy. We analyze innermost stable circular orbits (ISCO) and relativistically broadened iron lines and find that both the ISCO and iron lines are determined sufficiently accurately up to the limit of the approximation. We also find that, though the ISCO increases by about 7% as dilaton coupling increases from zero to extremal values, the redshift at ISCO changes by less than 1%. Consequently, the shape of the iron line is much less sensitive to the dilaton charge than expected.

Molecular spectroscopy

International Nuclear Information System (INIS)

Kokh, Eh.; Zonntag, B.

1981-01-01

The latest investigation results on molecular spectroscopy with application of synchrotron radiation in the region of vacuum ultraviolet are generalized. Some results on investigation of excited, superexcited and ionized molecule states with the use of adsorption spectroscopy, photoelectron spectroscopy, by fluorescent and mass-spectrometric methods are considered [ru

Long-term Trend and Fractal of Annual Runoff Process in Mainstream of Tarim River

Institute of Scientific and Technical Information of China (English)

XU Jianhua; CHEN Yaning; LI Weihong; DONG Shan

2008-01-01

Based on the time series data from the Aral hydrological station for the period of 1958-2005, the paper re-veals the long-term trend and fractal of the annual runoff process in the mainstream of the Tarim River by using thewavelet analysis method and the fractal theory. The main conclusions are as follows: 1) From a large time scale pointof view, i.e. the time scale of 16 (24) years, the annual runoff basically shows a slightly decreasing trend as a wholefrom 1958 to 2005. If the time scale is reduced to 8 (23) or 4 (22) years, the annual runoff still displays the basic trendas the large time scale, but it has fluctuated more obviously during the period. 2) The correlation dimension for theannual runoff process is 3.4307, non-integral, which indicates that the process has both fractal and chaotic characteris-tics. The correlation dimension is above 3, which means that at least four independent variables are needed to describethe dynamics of the annual runoff process. 3) The Hurst exponent for the first period (1958-1973) is 0.5036, whichequals 0.5 approximately and indicates that the annual runoff process is in chaos. The Hurst exponents for the second(1974-1989) and third (1990-2005) periods are both greater than 0.50, which indicate that the annual runoff processshowed a long-enduring characteristic in the two periods. The Hurst exponent for the period from 1990 to 2005 indi-cates that the annual runoffwill show a slightly increasing trend in the 16 years after 2005.

Characterization of the electronic structure of C50Cl10 by means of soft x-ray spectroscopies

International Nuclear Information System (INIS)

Brena, Barbara; Luo Yi

2005-01-01

The electronic structure of the last synthesized fullerene molecule, the C 50 Cl 10 , has been characterized by theoretical simulation of x-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and near-edge x-ray-absorption fine structure. All the calculations were performed at the gradient-corrected and hybrid density-functional theory levels. The combination of these techniques provides detailed information about the valence band and the unoccupied molecular orbitals, as well as about the carbon core orbitals

Vibrational spectroscopy

Science.gov (United States)

Umesh P. Agarwal; Rajai Atalla

2010-01-01

Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

Lecture notes on: Electrical theory behind the measurement of body fluids with bioimpedance spectroscopy (BIS)

DEFF Research Database (Denmark)

Jødal, Lars

The lecture notes describe how body fluid volumes can be measured/estimated using the technique bio-impedance spectroscopy (BIS). The opening chapters assume little or none technical/mathematical knowledge and can hopefully be read by anyone interested in the techneque. Later chapters become more...

Annual report 1975

International Nuclear Information System (INIS)

1976-01-01

This report from the Tandem Accelerator Laboratory in Uppsala covers work performed during the calendar year of 1975. It is the fourth annual report issued in English since research at the laboratory was begun in November 1970. The major part of the beam time for research (almost 80%) has been taken up in studies of problems in nuclear physics. Investigations in atomic physics and solid state physics have been carried out through experiments in beam-foil spectroscopy and on hyperfine fields with perturbed angular correlation techniques, respectively. Nuclear methods and knowledge have been applied in solid state electronics and in physical biology. A marked shift towards the use of heavy ions can be noted. In fact, twice as much accelerator time has been used for 16 O and heavier ions during 1975 than during the previous year. This trend can be expected to continue, in particular after the recently purchased sputtering ion source has been installed. Experimental techniques and methods have been developed, for instance, with the aim to introduce improvements in the detection and identification of stable and unstable heavy ions and in the measurement of nuclear lifetimes using pulsed accelerator beams and conversion electrons. Eight doctoral theses have been presented during 1975, which have been based on research carried out at the Tandem Laboratory. In all, work at the laboratory has now resulted in seventeen theses. (Auth.)

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

MCD spectroscopy and TD-DFT calculations of low symmetry subnaphthalocyanine analogs.

Science.gov (United States)

Mack, John; Otaki, Tatsuya; Durfee, William S; Kobayashi, Nagao; Stillman, Martin J

2014-07-01

Magnetic circular dichroism (MCD) spectroscopy and time-dependent density functional theory (TD-DFT) calculations are used to analyze the electronic structure and optical properties of low-symmetry subnaphthalocyanine analogs with AAB and ABB structures formed during mixed condensations of tetrafluorophthalonitrile and 2,3-naphthalenedicarbonitrile. The results demonstrate that trends observed in the properties of phthalocyanine analogs can be used to fine tune the optical properties so that the Q(0,0) bands lie in the red region, in a manner that does not significantly destabilize the highest occupied molecular orbital (HOMO) energy relative to that of the parent subphthalocyanine ligand. Attempts to study the spectroscopy of anion radical species proved unsuccessful, since they proved to be unstable. Copyright © 2014 Elsevier Inc. All rights reserved.

Annual review of fluid mechanics. Volume 23

International Nuclear Information System (INIS)

Lumley, J.L.; Van Dyke, M.; Reed, H.L.

1991-01-01

Recent advances in theoretical, experimental, and computational fluid mechanics are discussed in a collection of annual review essays. Topics addressed include Lagrangian ocean studies, drag reduction in nature, the hydraulics of rotating strait and sill flow, analytical methods for the development of Reynolds-stress closures in turbulence, and exact solutions of the Navier-Stokes equations. Consideration is given to the theory of hurricanes, flow phenomena in CVD of thin films, particle-imaging techniques for experimental fluid mechanics, symmetry and symmetry-breaking bifurcations in fluid dynamics, turbulent mixing in stratified fluids, numerical simulation of transition in wall-bounded shear flows, fractals and multifractals in fluid turbulence, and coherent motions in the turbulent boundary layer

Mind-ception: Investigating the relationship between theory of mind and decision making

OpenAIRE

Ahamed, Hassan; Kurczek, Jake

2016-01-01

Ahamed, H., & Kurczek, J. (2016, April). Mind-ception: Investigating the relationship between theory of mind and decision making. Poster Presentation at the 31st Annual LVAIC Undergraduate Psychology Conference. Bethlehem, PA. •  Much of our decision making (DM) requires either direct or indirect considerations of others’ thoughts (McCubbins, et al., 2012). •  Theory of Mind (ToM – the capacity to infer the thoughts/intentions of others) is an abi...

Heavy mesons spectroscopy and new quarks

International Nuclear Information System (INIS)

Carvalho, H.F. de.

1977-12-01

The spectroscopy of new heavy mesons with masses above 2.8 GeV in the context of the asymptoticallty free gauge theories is analysed. To this end a power -law confinement potential is chosen. It is shown that the charmonium spectroscopy is best described by a potential where the exponent is around 0.5. It is observed that the spin-spin interaction is problematic. A possible interpretation of the γ resonances in the neighbourhood of 10 GeV is also discussed. The possible consequences of the existence of heavy quarks beyond charm with special reference to the processes initiated by neutral currents is also discussed. The present results on processes initiated by neutral current effects does not require introduction of right-handed heavy quarks beyond charm. Inclusion of the sea-quark contribution improves the agreements of the results of the Salam-Weinberg model with the recently observed results from CERN where 'ν anomaly' was not seen. The recently discovered γ resonances probably indicate the existence of heavy quarks probably with left handed coupling. Some preliminary study of this possibility was also carried out. (Author) [pt

Nuclear level mixing resonance spectroscopy

International Nuclear Information System (INIS)

Coussement, R.; Put, P.; Scheveneels, G.; Hardeman, F.

1985-01-01

The existent methods for measuring quadrupole interactions are not suited to nuclei with lifetimes in the micro-seconds to minutes region. AD/NQR, a possible candidate in this lifetime gap, has not yet succeeded in overcoming its predicted difficulties. A new resonant method, recently developed and based on the principles of level mixing (cfr atomic spectroscopy) covers this less accessible lifetime range. Many other kinds of resonances can be described according to the level mixing formalism. The particular example of NMR as a level mixing resonance (LMR) is discussed. The underlying theory of LMR and its important consequences, leading to some interesting features of the method, is briefly formulated. Two successfully performed measurements demonstrate the feasibility and the predicted characteristics of this new promising method. (orig.)

Statistical quasi-particle theory for open quantum systems

Science.gov (United States)

Zhang, Hou-Dao; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2018-04-01

This paper presents a comprehensive account on the recently developed dissipaton-equation-of-motion (DEOM) theory. This is a statistical quasi-particle theory for quantum dissipative dynamics. It accurately describes the influence of bulk environments, with a few number of quasi-particles, the dissipatons. The novel dissipaton algebra is then followed, which readily bridges the Schrödinger equation to the DEOM theory. As a fundamental theory of quantum mechanics in open systems, DEOM characterizes both the stationary and dynamic properties of system-and-bath interferences. It treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that could be experimentally measurable. Examples are the linear or nonlinear Fano interferences and the Herzberg-Teller vibronic couplings in optical spectroscopies. This review covers the DEOM construction, the underlying dissipaton algebra and theorems, the physical meanings of dynamical variables, the possible identifications of dissipatons, and some recent advancements in efficient DEOM evaluations on various problems. The relations of the present theory to other nonperturbative methods are also critically presented.

Annual report 1973

International Nuclear Information System (INIS)

1973-01-01

The GKSS scientific annual report summarizes the problems and results of the research and development projects of 1973. In contrast to earlier annual reports, a comprehensive description of the research facilities is not included. The annual report was extended by the paragraph 'Financial Report 1973' in the chapter 'Development of Geesthacht Research Centre'. The financial report gives a survey of the financial transactions and the major operations of the year under review. (orig./AK) [de

Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

Science.gov (United States)

Van Kuiken, Benjamin E; Valiev, Marat; Daifuku, Stephanie L; Bannan, Caitlin; Strader, Matthew L; Cho, Hana; Huse, Nils; Schoenlein, Robert W; Govind, Niranjan; Khalil, Munira

2013-05-30

Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of Ru(II) and Ru(III) complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6](4-) and Ru(II) polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5M(II)-CN-Ru(III)(NH3)5](-) (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

X-ray spectroscopy of highly-charged ions in a storage ring. Invited lecture

International Nuclear Information System (INIS)

Beyer, H.F.

1994-11-01

The purpose of the present lectures is to carry through the methods and procedures necessary for a meaningful spectroscopy of the heaviest few-electron ions in relation to present theories. Results achieved so far in accelerator-based X-ray experiments are highlighted with emphasis on recent developments on heavy-ion storage rings. Starting with a brief account of the basics of one-electron ions, the motivation for doing X-ray spectroscopy of the simplest atomic systems with a high nuclear charge is given. In section 2 X-ray instrumentation and techniques are discussed including the precautions necessary when dealing with fast-beam sources. Peculiarities of heavy-ion storage rings are investigated in section 3 with regard to their use for spectroscopy. In section 4 are discussed results obtained so far on the measurement of the Lamb shift in very heavy ions. Section 5 gives some perspectives for the near future. (orig.)

Assessment of Annual Effective Dose for Natural Radioactivity of Gamma Emitters in Biscuit Samples in Iraq.

Science.gov (United States)

Abojassim, Ali Abid; Al-Alasadi, Lubna A; Shitake, Ahmed R; Al-Tememie, Faeq A; Husain, Afnan A

2015-09-01

Biscuits are an important type of food, widely consumed by babies in Iraq and other countries. This work uses gamma spectroscopy to measure the natural radioactivity due to long-lived gamma emitters in children's biscuits; it also estimates radiation hazard indices, that is, the radium equivalent activity, the representative of gamma level index, the internal hazard index, and the annual effective dose in children. Ten samples were collected from the Iraqi market from different countries of origin. The average specific activities for (226)Ra, (232)Th, and (40)K were 9.390, 3.1213, and 214.969 Bq/kg, respectively, but the average of the radium equivalent activity and the internal hazard index were 33.101 Bq/kg and 0.107, respectively. The total average annual effective dose from consumption by adults, children, and infants is estimated to be 0.655, 1.009, and 0.875 mSv, respectively. The values found for specific activity, radiation hazard indices, and annual effective dose in all samples in this study were lower than worldwide median values for all groups; therefore, these values are found to be safe.

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Chiavarino, B.; Crestoni, M. E.; Fornarini, S. [Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza - Universita di Roma, Piazzale A. Moro 5, 00185 Rome (Italy); Taioli, S. [Interdisciplinary Laboratory for Computational Science, FBK-CMM and University of Trento, Via Sommarive 18, 38123 Trento (Italy); Department of Physics, University of Trento, Via Sommarive 14, 38123 Trento (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Perugia (Italy); Department of Chemistry, University of Bologna, Via F. Selmi 2, I-40126 Bologna (Italy); Mancini, I.; Tosi, P. [Department of Physics, University of Trento, Via Sommarive 14, 38123 Trento (Italy)

2012-07-14

Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm{sup -1} and 1100-1900 cm{sup -1} regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.

Exploration of X-ray and charged-particle spectroscopy with CCDs and PSDs

International Nuclear Information System (INIS)

Simons, D.P.L.; Mutsaers, P.H.A.; Ijzendoorn, L.J. van; Voigt, M.J.A. de

1998-01-01

Two alternative detector types have been studied for use in the Eindhoven scanning ion microprobe set-up. First, the applicability of a charge coupled device (CCD) system for X-ray spectroscopy has been explored. Second, some properties of the SiTek type 1L30 position sensitive detector (PSD) for charged-particle spectroscopy have been studied. A literature survey shows that excellent X-ray spectroscopy with a CCD system is feasible, particularly with a deep-depletion backside-illuminated CCD and low speed read-out. If, however, high-speed CCD read-out is required, such as for scanning microprobe experiments, a CCD system cannot be used for spectroscopy due to excess read-out noise. For the PSD, noise theory calculations are presented, which result in a noise shaping time for optimal energy and position resolution. In practice, however, a much longer time is needed to obtain sufficient energy and position linearity. Characterization measurements of the PSD using our 4 MeV He + microprobe are also described. A position resolution of 0.47 mm and a position linearity of better than 0.15% detector length are found. In addition, an energy linearity better than 0.3% and an energy resolution of 36 keV are measured. The latter will have to be improved, to make the PSD suitable for charged-particle spectroscopy applications. (orig.)

Analytical applications of spectroscopy

International Nuclear Information System (INIS)

Creaser, C.S.

1988-01-01

This book provides an up to date overview of recent developments in analytical spectroscopy, with a particular emphasis on the common themes of chromatography - spectroscopy combinations, Fourier transform methods, and data handling techniques, which have played an increasingly important part in the development of all spectroscopic techniques. The book contains papers originally presented at a conference entitled 'Spectroscopy Across The Spectrum' held jointly with the first 'International Near Infrared Spectroscopy Conference' at the University of East Anglia, Norwich, UK, in July 1987, which have been edited and rearranged with some additional material. Each section includes reviews of key areas of current research as well as short reports of new developments. The fields covered are: Near Infrared Spectroscopy; Infrared Spectroscopy; Mass Spectroscopy; NMR Spectroscopy; Atomic and UV/Visible Spectroscopy; Chemometrics and Data Analysis. (author)

THE GENERAL ATOMICS FUSION THEORY PROGRAM ANNUAL REPORT FOR GRANT YEAR 2004

International Nuclear Information System (INIS)

PROJECT STAFF

2004-01-01

The dual objective of the fusion theory program at General Atomics (GA) is to significantly advance our scientific understanding of the physics of fusion plasmas and to support the DIII-D and other tokamak experiments. The program plan is aimed at contributing significantly to the Fusion Energy Science and the Tokamak Concept Improvement goals of the Office of Fusion Energy Sciences (OFES)

Risø annual report 2001

DEFF Research Database (Denmark)

2002-01-01

In this annual report, we present a small selection of Risø’s achievements in 2001. A more detailed review of Risø’s projects can be found in the Risø Annual Accounts for 2001 as well as in the annual progress reports prepared by the individual researchdepartments.......In this annual report, we present a small selection of Risø’s achievements in 2001. A more detailed review of Risø’s projects can be found in the Risø Annual Accounts for 2001 as well as in the annual progress reports prepared by the individual researchdepartments....

Admittance spectroscopy or deep level transient spectroscopy: A contrasting juxtaposition

Science.gov (United States)

Bollmann, Joachim; Venter, Andre

2018-04-01

A comprehensive understanding of defects in semiconductors remains of primary importance. In this paper the effectiveness of two of the most commonly used semiconductor defect spectroscopy techniques, viz. deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) are reviewed. The analysis of defects present in commercially available SiC diodes shows that admittance spectroscopy allows the identification of deep traps with reduced measurement effort compared to deep Level Transient Spectroscopy (DLTS). Besides the N-donor, well-studied intrinsic defects were detected in these diodes. Determination of their activation energy and defect density, using the two techniques, confirm that the sensitivity of AS is comparable to that of DLTS while, due to its well defined peak shape, the spectroscopic resolution is superior. Additionally, admittance spectroscopy can analyze faster emission processes which make the study of shallow defects more practical and even that of shallow dopant levels, possible. A comparative summary for the relevant spectroscopic features of the two capacitance methods are presented.

Annual Report 2010-2011

International Development Research Centre (IDRC) Digital Library (Canada)

... 2013-2014 Annual Report 2013-2014 Rapport annuel 2013-2014 Annual Report 2014-2015 Annual Report 2014-2015 Rapport annuel 2014-2015 Investing in Solutions Strategic Plan 2015-2020 Investing in Solutions Strategic Plan 2015-2020 Investir dans des solutions Plan stratégique 2015-2020 Financial statements ...

NUKEM annual report 1981

International Nuclear Information System (INIS)

The annual report of this important undertaking in the German nuclear industry informs about its structure, holdings and activities in 1981. The report of the management is followed by remarks on the annual statement of accounts (annual balance, profit-loss accounting) and the report of the Supervisory Board. In the annex the annual balance of NUKEM GmbH/HOBEG mbH as per December 31, 1981, and the profit-loss accounting of NUKEM GmbH/HOBEG mbH for the business year 1981 are presented. (UA) [de

Ecosystem carbon storage does not vary with increasing mean annual temperature in Hawaiian tropical montane wet forests

Science.gov (United States)

Paul Selmants; Creighton Litton; Christian P. Giardina; Greg P. Asner

2014-01-01

Theory and experiment agree that climate warming will increase carbon fluxes between terrestrial ecosystems and the atmosphere. The effect of this increased exchange on terrestrial carbon storage is less predictable, with important implications for potential feedbacks to the climate system. We quantified how increased mean annual temperature (MAT) affects ecosystem...

Many-electron effect in the resonant Auger electron spectroscopy spectra of adsorbates

International Nuclear Information System (INIS)

Ohno, Masahide

2007-01-01

It is shown by a many-body theory that a resonantly excited core hole state in a chemisorbed molecule such as CO/Ni, CO/Pd, and CO/Pt relaxes to a fully relaxed one, i.e., the ionized core hole state of the smallest binding energy observed by photoelectron spectroscopy, before the core hole decays so that the resonant Auger electron spectroscopy (RAES) spectrum shows the normal Auger decay spectrum. It is shown by a many-body theory that the Auger peaks on the higher kinetic energy (K.E.) side in the RAES or AES spectrum, i.e., so called back-bonding peaks, are the two-hole states consisting of a valence hole and a hole in the adsorbate-substrate hybrid states below the substrate Fermi level. The latter hole is the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the back-bonding peak energy and the single valence-hole energy provides an important information about the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the RAES spectrum measured at the resonance energy and the AES spectrum measured at far above the ionization limit shows the competition between relaxation and decay of shakeup satellites such as the charge transfer (CT) shakeup. The relaxation rate of the CT shakeup state can be determined by Auger-photoelectron coincidence spectroscopy (APECS)

A modern course in the quantum theory of solids

CERN Document Server

Han, Fuxiang

2013-01-01

This book contains advanced subjects in solid state physics with emphasis on the theoretical exposition of various physical phenomena in solids using quantum theory, hence entitled "A modern course in the quantum theory of solids". The use of the adjective "modern" in the title is to reflect the fact that some of the new developments in condensed matter physics have been included in the book. The new developments contained in the book are mainly in experimental methods (inelastic neutron scattering and photoemission spectroscopy), in magnetic properties of solids (the itinerant magnetism, the superexchange, the Hubbard model, and giant and colossal magnetoresistance), and in optical properties of solids (Raman scattering). Besides the new developments, the Green's function method used in many-body physics and the strong-coupling theory of superconductivity are also expounded in great details.

High resolution NMR theory and chemical applications

CERN Document Server

Becker, Edwin D

2012-01-01

High Resolution NMR: Theory and Chemical Applications discusses the principles and theory of nuclear magnetic resonance and how this concept is used in the chemical sciences. This book is written at an intermediate level, with mathematics used to augment verbal descriptions of the phenomena. This text pays attention to developing and interrelating four approaches - the steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The style of this book is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. This book begins with a description of the basic physics, together with a brief account of the historical development of the field. It looks at the study of NMR in liquids, including high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. This book is intended to assis...

Basic molecular spectroscopy

CERN Document Server

Gorry, PA

1985-01-01

BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will be of great use to students who are currently taking a course in molecular spectroscopy.

Annual, semi-annual and ter-annual variations of gravity wave momentum flux in 13 years of SABER data

Science.gov (United States)

Chen, Dan; Preusse, Peter; Ern, Manfred; Strube, Cornelia

2017-04-01

In this study, the variations at different time scales such as the annual cycle, the semiannual oscillation (SAO), the ter-annual cycle (about four monthly) and the quasi-biennial oscillation (QBO) in zonal mean GW amplitudes and GW momentum flux (GWMF) have been investigated using satellite observations from 2002-2014 and combining ECMWF high resolution data with the GORGRAT model. The global distribution (patterns) of spectral amplitudes of GW momentum flux in stratosphere and mesosphere (from 30 km to 90 km) show that the annual cycle is the most predominant variation, and then are SAO, ter-annual cycle and QBO. For annual components, two relatively isolated amplitude maxima appear in each hemisphere: a subtropical maximum is associated with convective sources in summer, a mid and high latitude maximum is associated with the polar vortex in winter. In the subtropics, GWs propagate upward obliquely to the higher latitudes. The winter maximum in the southern hemisphere has larger momentum flux than that one in the northern hemisphere. While on the SH the phase (i.e. time corresponding to the maximum GWMF) continuously descends with the maximum in July in the upper mesosphere and in September in the lower stratosphere, on the northern hemisphere, the phase has no visible altitude dependence with a maximum in December. For semiannual variations, in the MLT (70-80 km) region, there is an obvious enhancement of spectral amplitude at equatorial latitudes which relate to the dissipation of convectively forced GWs. The SAO in absolute momentum flux and the annual cycle in zonal momentum flux indicated that the variations at mid-latitudes (about from 30°-40°) are not a SAO signals but rather an annual cycle when the direction of GWMF is considered. The ter-annual cycle may be related to the duration of active convection in subtropical latitudes (from June to Sep. in north hemisphere) Indications for QBO are found latitude extension to mid-latitudes in stratosphere of

Task A: Research in theoretical elementary particle physics at the University of Florida; Annual progress report

Energy Technology Data Exchange (ETDEWEB)

Field, R.D.; Ramond, P.M.; Sikivie, P.; Thorn, C.B.

1993-11-01

This is the Annual Progress Report of the theoretical particle theory group at the University of Florida under DoE Grant DE-FG05-86ER40272. At present our group consists of four Full Professors (Field, Ramond, Thorn, Sikivie) and three Assistant Professors (Qiu, Woodard, Kennedy). Dallas Kennedy recently joined our group increasing the Particle Theory faculty to seven. In addition, we have three postdoctoral research associates, an SSC fellow, and eight graduate students. The research of our group covers a broad range of topics in theoretical high energy physics with balance between theory and phenomenology. Included in this report is a summary of the last several years of operation of the group and an outline of our current research program.

Astronomical Spectroscopy for Amateurs

CERN Document Server

Harrison, Ken M

2011-01-01

Astronomical Spectroscopy for Amateurs is a complete guide for amateur astronomers who are looking for a new challenge beyond astrophotography. The book provides a brief overview of the history and development of the spectroscope, then a short introduction to the theory of stellar spectra, including details on the necessary reference spectra required for instrument testing and spectral comparison. The various types of spectroscopes available to the amateur are then described. Later sections cover all aspects of setting up and using various types of commercially available and home-built spectroscopes, starting with basic transmission gratings and going through more complex models, all the way to the sophisticated Littrow design. The final part of the text is about practical spectroscope design and construction. This book uniquely brings together a collection of observing, analyzing, and processing hints and tips that will allow the amateur to build skills in preparing scientifically acceptable spectra data. It...

The origin of narrowing of the Si 2p coincidence photoelectron spectroscopy main line of Si(1 0 0) surface

International Nuclear Information System (INIS)

Ohno, Masahide

2011-01-01

Highlights: → The Si 2p coincidence photoelectron spectroscopy (PES) main line of Si(1 0 0) is calculated. → The PES main line shows an asymmetric line shape change compared to the singles one. → The narrowing of the coincidence Si 2p PES main line is well reproduced. → The inherent mechanism of APECS is explained by a many-body theory. - Abstract: The Si 2p photoelectron spectroscopy (PES) main line of Si(1 0 0) surface measured in coincidence with the singles (noncoincidence) Si L 2,3 -VV Auger-electron spectroscopy (AES) elastic peak is calculated. The agreement with the experiment is good. The present work is the first many-body calculation of the experimental coincidence PES spectrum of solid surface. The narrowing of the coincidence Si 2p PES main line compared to the singles one is due to the mechanism inherent in the coincidence PES. The inherent mechanism is explained by a many-body theory by which photoemission and Auger-electron emission are treated on the same footing.

High-resolution stimulated Brillouin gain spectroscopy in glasses and crystals

International Nuclear Information System (INIS)

Faris, G.W.; Jusinski, L.E.; Hickman, A.P.

1993-01-01

Theory and measurements are presented for stimulated Brillouin gain spectroscopy in anisotropic media. The coupling between arbitrary pump and Stokes waves and the corresponding acoustic wave is formulated in terms of the elastic displacement vector and the photoelastic tensor. A propagation equation that fully includes transient effects is obtained for the Stokes wave. In the limit of small-signal gains this propagation equation can be solved analytically, yielding expressions that relate experimentally accessible quantities to material properties. Absolute Brillouin steady-state gain coefficients, linewidths, and frequency shifts are thereby determined in a number of optical materials at 532 nm. The Brillouin gain coefficient for fused silica is measured by three techniques, providing the reference for absolute gain measurements. Quantitative agreement is found between theory and experiment for transient effects on stimulated Brillouin scattering

Fusion plasma theory. Task I. Magnetic confinement fusion plasma theory. Annual progress report, January 1, 1982-December 31, 1982

International Nuclear Information System (INIS)

Callen, J.D.

1982-08-01

The research on this contract over the past year has concentrated on some key tandem mirror confinement and heating issues (barrier trapping current, rf heating, low mode number stability) and on developing a comprehensive neoclassical transport theory for nonaxisymmetric toroidal plasmas (e.g., stellarators). Progress in these and some other miscellaneous areas are summarized briefly in this progress report

Research in theoretical elementary particle physics at the University of Florida: Task A. Annual progress report

International Nuclear Information System (INIS)

Field, R.D.; Ramond, P.M.; Sikivie, P.; Thorn, C.B.

1994-01-01

This is the Annual Progress Report of the theoretical particle theory group at the University of Florida under DOE Grant DE-FG05-86ER40272. At present our group consists of four Full Professors (Field, Ramond, Thorn, Sikivie), one Associate Professor (Woodard), and two Assistant Professors (Qiu, Kennedy). In addition, we have four postdoctoral research associates and seven graduate students. The research of our group covers a broad range of topics in theoretical high energy physics including both theory and phenomenology. Included in this report is a summary of the last several years, an outline of our current research program

Secondary-electron cascade in attosecond photoelectron spectroscopy from metals

DEFF Research Database (Denmark)

Baggesen, Jan Conrad; Madsen, Lars Bojer

2009-01-01

an analytical model based on an approximate solution to Boltzmann's transport equation to account for the amount and energy distribution of these secondary electrons. Our theory is in good agreement with the electron spectrum found in a recent attosecond streaking experiment. To suppress the background and gain......Attosecond spectroscopy is currently restricted to photon energies around 100 eV. We show that under these conditions, electron-electron scatterings, as the photoelectrons leave the metal, give rise to a tail of secondary electrons with lower energies and hence a significant background. We develop...

Electron spectroscopy with fast heavy ions

International Nuclear Information System (INIS)

Schneider, D.

1983-01-01

Since about 1970 the spectroscopy of Auger-electrons and characteristic x-rays following energetic ion-atom collisions has received a great deal of attention. An increasing number of accelerators, capable of providing a large number of projectile ion species over a wide range of projectile energies, became available for studying ion-atom collision phenomena. Many charged particles from protons up to heavy ions like uranium can be accelerated to energies ranging over six orders of magnitude. This allows us to study systematically a great variety of effects accompanied by dynamic excitation processes of the atomic shells in either the projectile- or target-atoms. The studies yield fundamental information regarding the excitation mechanism (e.g., Coulomb and quasi-molecular excitation) and allow sensitive tests of atomic structure theories. This information in turn is valuable to other fields in physics like plasma-, astro-, or solid-state (surface) physics. It is a characteristic feature of fast heavy-ion accelerators that they can produce highly stripped ion species which have in turn the capability to highly ionize neutral target atoms or molecules in a single collision. The ionization process, mainly due to the strong electrical fields that are involved, allows us to study few-electron atoms with high atomic numbers Z. High resolution spectroscopy performed with these atoms allows a particularly good test of relativistic and QED effects. The probability of producing these few electron systems is determined by the charge state and the velocity of the projectile ions. In this contribution the possibilities of using electron spectroscopy as a tool to investigate fast ion-atom collisions is discussed and demonstrated with a few examples. 30 references

Triangle Universities Nuclear Laboratory annual report: TUNL XVI, 1 January 1977--31 December 1977

International Nuclear Information System (INIS)

1977-01-01

A summary of research is presented on nuclear physics. Included in the studies are neutron and fission physics, neutron polarization studies, high resolution studies, gamma ray spectroscopy, charged-particle reactions with polarized beams, radiative capture reactions, atomic collision physics, heavy ion physics, the development of facilities, ion source development, accelerator development and instrumentation computer-related development, and nuclear theory and phenomenology. A list of publications is included

Annual report of Laboratory of Nuclear Studies, Osaka University, for fiscal 1979

International Nuclear Information System (INIS)

1980-01-01

This annual report presents the research activities carried out by the members of the Laboratory and the users of the facilities. The major facilities of the Laboratory are a 110 cm variable energy cyclotron and a 4.7 MeV Van de Graaff. The cyclotron division has made extensive studies on nuclear physics, such as the pre-equilibrium process of neutron emission, inelastic proton scattering, He-3 induced reactions, and polarization experiments. The Van de Graaff division reports about the works on hyperfine interaction, mirror beta-decay, heavy element ion source, and nuclear spin alignment. Model magnet study on the future project has also been developed at the Laboratory. Other divisions of the Laboratory are the mass spectroscopy division, the radioisotope division, and the theoretical physics division. The works of the mass spectroscopy division concern the on-line mass separation of radioisotopes, the field desorption of mass spectra, and instrumentation. The works of the radioisotope division spread widely on the field of nuclear chemistry. At the end of this report, various works, which have been made by the theoretical physics division, are introduced. (Kato, T.)

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

International Nuclear Information System (INIS)

Chiavarino, B.; Crestoni, M. E.; Fornarini, S.; Taioli, S.; Mancini, I.; Tosi, P.

2012-01-01

Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500–3700 cm −1 and 1100–1900 cm −1 regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.

Beam foil spectroscopy of N = 3 to N = 2 transitions in highly stripped heavy ions. Revision 1

International Nuclear Information System (INIS)

Dietrich, D.D.; Chandler, G.A.; Egan, P.O.; Ziock, K.P.; Mokler, P.H.; Reusch, S.; Hoffmann, D.H.H.

1986-09-01

The spectroscopy of very highly ionized atoms provides an important testing ground for multi-electron atomic theory. We report preliminary experimental results on the n = 3 → 2 spectra of Bi +73 and A +69 obtained at the GSI UNILAC accelerator. 19 refs., 4 figs

Using Classical Test Theory and Item Response Theory to Evaluate the LSCI

Science.gov (United States)

Schlingman, Wayne M.; Prather, E. E.; Collaboration of Astronomy Teaching Scholars CATS

2011-01-01

Analyzing the data from the recent national study using the Light and Spectroscopy Concept Inventory (LSCI), this project uses both Classical Test Theory (CTT) and Item Response Theory (IRT) to investigate the LSCI itself in order to better understand what it is actually measuring. We use Classical Test Theory to form a framework of results that can be used to evaluate the effectiveness of individual questions at measuring differences in student understanding and provide further insight into the prior results presented from this data set. In the second phase of this research, we use Item Response Theory to form a theoretical model that generates parameters accounting for a student's ability, a question's difficulty, and estimate the level of guessing. The combined results from our investigations using both CTT and IRT are used to better understand the learning that is taking place in classrooms across the country. The analysis will also allow us to evaluate the effectiveness of individual questions and determine whether the item difficulties are appropriately matched to the abilities of the students in our data set. These results may require that some questions be revised, motivating the need for further development of the LSCI. This material is based upon work supported by the National Science Foundation under Grant No. 0715517, a CCLI Phase III Grant for the Collaboration of Astronomy Teaching Scholars (CATS). Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.

Test of special relativity theory by means of laser spectroscopy on relativistic {sup 7}Li{sup +} ions in the ESR; Test der Speziellen Relativitaetstheorie mittels Laserspektroskopie an relativistischen {sup 7}Li{sup +}-Ionen am ESR

Energy Technology Data Exchange (ETDEWEB)

Botermann, Benjamin

2012-10-31

The invariance under Lorentz transformation of the laws of physics is a fundamental postulate of modern physics and all theories of the fundamental interactions have been stated in a covariant form. Although the theory of Special Relativity (SR) has been tested and confirmed with high accuracy in a large number of experiments, improved tests are of fundamental interest due to the far-reaching relevance of this postulate. Additionally modern attempts of a unified description of the four fundamental interactions point to possible violations of Lorentz invariance. In this context experiments of the Ives-Stilwell type for a test of time dilation play an important role. High resolution laser spectroscopy is applied on relativistic particle beams to investigate the validity of the relativistic Doppler formula - and therefore of the time dilation factor γ. In the course of this thesis an Ives-Stilwell experiment was performed with {sup 7}Li{sup +} ions at a velocity of 34 % of the speed of light, which were stored at the experimental storage ring (ESR) of the GSI Helmholtzzentrum fuer Schwerionenforschung. The techniques of Λ- as well as saturation spectroscopy were employed on the 1s2s{sup 3}S{sub 1}→1s2p{sup 3}P{sub 2} transition. By a computer based analysis of the fluorescence detection system and utilization of appropriate edge filters the signal to noise ratio was decisively improved and the application of an additional pump laser allowed for the observation of a saturation signal for the first time. The frequency stability of both laser systems was specified by means of a frequency comb to obtain the highest possible accuracy. The data from the beam times were analyzed in the frameworks of the Robertson-Mansouri-Sexl test theory (RMS) and the Standard Model Extension (SME) and the corresponding upper limits of the relevant test parameters of the assigned theories were calculated. The upper limit of the parameter α was improved by a factor of 4 compared to

Nuclear Chemistry Institute, Mainz University. Annual Report 1995

International Nuclear Information System (INIS)

Denschlag, H.O.

1996-03-01

The annual report of the Institut fuer Kernchemie addresses inter alia three main research activities. The first belongs to the area of basic research, covering studies in the fields of nuclear fission, chemistry of the super-heavy elements and of heavy-ion reactions extending from the Coulomb barrier to relativistic energies, and nuclear astrophysics in connection with the ''r process''. By means of laser technology, high-precision data could be measured of the ionization energies of berkelium and californium. Studies of atomic clusters in the vacuum of an ionization trap revealed interesting aspects. The second major activity was devoted to the analysis of environmental media, applying inter alia neutron activation analysis and resonance ionization mass spectroscopy (RIMS). The third activity resulted in the development of novel processes, or the enhancement of existing processes or methods, for applications in basic research work and in environmental analytics. Another item of interest is the summarizing report on the operation of the TRIGA research reactor. (orig./SR) [de

Investigation of natural frequencies of laser inertial confinement fusion capsules using resonant ultrasound spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ma, Xiaojun [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Xing; Wang, Zongwei [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Chen, Qian; Qian, Menglu [Institute of Acoustic, Tongji University, Shanghai 200433 (China); Meng, Jie [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Yongjian [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Zou, Yaming; Shen, Hao [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Gao, Dangzhong, E-mail: dgaocn@163.com [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China)

2017-01-15

Highlights: • The frequency equation of isotropic multi-layer hollow spheres was derived using three-dimension (3D) elasticity theory and transfer matrix method. • The natural frequencies of the capsules with a millimeter-sized diameter are determined experimentally using resonant ultrasound spectrum (RUS) system. • The predicted natural frequencies of the frequency equation accord well with the observed results. • The theoretical and experimental investigation has proved the potential applicability of RUS to both metallic and non-metallic capsules. - Abstract: The natural frequency problem of laser inertial confinement fusion (ICF) capsules is one of the basic problems for determining non-destructively the elasticity modulus of each layer material using resonant ultrasound spectroscopy (RUS). In this paper, the frequency equation of isotropic one-layer hollow spheres was derived using three dimension (3D) elasticity theory and some simplified frequency equations were discussed under axisymmetric and spherical symmetry conditions. The corresponding equation of isotropic multi-layer hollow spheres was given employing transfer matrix method. To confirm the validity of the frequency equation and explore the feasibility of RUS for characterizing the ICF capsules, three representative capsules with a millimeter-sized diameter were determined by piezoelectric-based resonant ultrasound spectroscopy (PZT-RUS) and laser-based resonant ultrasound spectroscopy (LRUS) techniques. On the basis of both theoretical and experimental results, it is proved that the calculated and measured natural frequencies are accurate enough for determining the ICF capsules.

Laser spectroscopy

CERN Document Server

Demtröder, Wolfgang

Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material, e.g., ultrafast lasers (atto- and femto-second lasers) and parametric oscillators, coherent matter waves, Doppler-free Fourier spectroscopy with optical frequency combs, interference spectroscopy, quantum optics, the interferometric detection of gravitational waves and still more applications in chemical analysis, medical diagnostics, and engineering.

Photoelectron spectroscopy an introduction to ultraviolet photoelectron spectroscopy in the gas phase

CERN Document Server

Eland, J H D

2013-01-01

Photoelectron Spectroscopy: An Introduction to Ultraviolet Photoelectronspectroscopy in the Gas Phase, Second Edition Photoelectron Spectroscopy: An Introduction to Ultraviolet PhotoelectronSpectroscopy in the Gas Phase, Second Edition aims to give practical approach on the subject of photoelectron spectroscopy, as well as provide knowledge on the interpretation of the photoelectron spectrum. The book covers topics such as the principles and literature of photoelectron microscopy; the main features and analysis of photoelectron spectra; ionization techniques; and energies from the photoelectron spectra. Also covered in the book are topics suc as photoelectron band structure and the applications of photoelectron spectroscopy in chemistry. The text is recommended for students and practitioners of chemistry who would like to be familiarized with the concepts of photoelectron spectroscopy and its importance in the field.

What happens during annual appraisal interviews? How leader-follower interactions unfold and impact interview outcomes.

Science.gov (United States)

Meinecke, Annika L; Lehmann-Willenbrock, Nale; Kauffeld, Simone

2017-07-01

Despite a wealth of research on antecedents and outcomes of annual appraisal interviews, the ingredients that make for a successful communication process within the interview itself remain unclear. This study takes a communication approach to highlight leader-follower dynamics in annual appraisal interviews. We integrate relational leadership theory and recent findings on leader-follower interactions to argue (a) how supervisors' task- and relation-oriented statements can elicit employee involvement during the interview process and (b) how these communication patterns affect both supervisors' and employees' perceptions of the interview. Moreover, we explore (c) how supervisor behavior is contingent upon employee contributions to the appraisal interview. We audiotaped 48 actual annual appraisal interviews between supervisors and their employees. Adopting a multimethod approach, we used quantitative interaction coding (N = 32,791 behavioral events) as well as qualitative open-axial coding to explore communication patterns among supervisors and their employees. Lag sequential analysis revealed that supervisors' relation-oriented statements triggered active employee contributions and vice versa. These relation-activation patterns were linked to higher interview success ratings by both supervisors and employees. Moreover, our qualitative findings highlight employee disagreement as a crucial form of active employee contributions during appraisal interviews. We distinguish what employees disagreed about, how the disagreement was enacted, and how supervisors responded to it. Overall employee disagreement was negatively related to ratings of supervisor support. We discuss theoretical implications for performance appraisal and leadership theory and derive practical recommendations for promoting employee involvement during appraisal interviews. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

The SRTR/OPTN Annual Data Report

Science.gov (United States)

... Annual Data Report The SRTR/OPTN Annual Data Report Statistics on donation and transplantation in the United ... US in 2015. The SRTR/OPTN Annual Data Report SRTR/OPTN Annual Data Report Learn more from ...

Spectroscopy for Dummies

DEFF Research Database (Denmark)

Lindvold, Lars René

This presentation will give short introduction to the most pertinent topics of optical spectroscopy. The following topics will be discussed: • The origin of spectra in UV, VIS and IR spectral range • Spectroscopic methods like absorption, luminescence and Raman • Wavelength dispersive optical...... components • Materials for use optical spectroscopy • Spectrometer geometries • Detectors for use in spectrometer • Practical examples of optical spectroscopy The objective of this presentation is to give the audience a good feel for the range of possibilities that optical spectroscopy can provide....

Moessbauer spectroscopy

International Nuclear Information System (INIS)

Gonser, U.

1975-01-01

This book is addressed to persons interested in learning about what has been done and what can be done with Moessbauer spectroscopy. In an introductory chapter the basic principle is explained and the general parameters governing Moessbauer spectroscopy are tabulated. For the following chapters various disciplines are chosen and the wide applicability of this measuring technique is demonstrated. The second chapter discusses a few representative examples of chemical interesting information being reflected by isomer shifts and quadrupole splittings, particularly with respect to bonding and structural properties. The third chapter deals with some applications of Moessbauer spectroscopy for characterizing magnetic compounds and its use for magnetic structure investigations, particularly by making use of polarized radiation. The fourth chapter describes the use of the Moessbauer spectroscopy for studying iron in biological molecules. As an example of recent applications to mineralogy and geology the results of the studies of lunar samples are reviewed in the fifth chapter. Finally, in the last chapter, work is described on the use of Moessbauer spectroscopy in physical metallurgy, particularly quantitative analyses which have enabled metallurgists to solve many old problems. (orig./FW) [de

IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates.

Science.gov (United States)

Schindler, B; Barnes, L; Gray, C J; Chambert, S; Flitsch, S L; Oomens, J; Daniel, R; Allouche, A R; Compagnon, I

2017-03-16

IR spectroscopy of gas-phase ions is proposed to resolve positional isomers of sulfated carbohydrates. Mass spectrometric fingerprints and gas-phase vibrational spectra in the near and mid-IR regions were obtained for sulfated monosaccharides, yielding unambiguous signatures of sulfated isomers. We report the first systematic exploration of the biologically relevant but notoriously challenging deprotonated state in the near IR region. Remarkably, anions displayed very atypical vibrational profiles, which challenge the well-established DFT (Density Functionnal Theory) modeling. The proposed approach was used to elucidate the sulfate patterns in glycosaminoglycans, a ubiquitous class of mammalian carbohydrates, which is regarded as a major challenge in carbohydrate structural analysis. Isomeric glycosaminoglycan disaccharides from heparin and chondroitin sources were resolved, highlighting the potential of infrared multiple photon dissociation spectroscopy as a novel structural tool for carbohydrates.

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

Triangle Universities Nuclear Laboratory annual report-TUNL XVIII, 1 January-31 December 1979

International Nuclear Information System (INIS)

1979-01-01

Activities during the year 1979 are reported in the following categories: neutron cross section experiments, neutron polarization studies, high-resolution studies, charged-particle reactions with polarized beams, radiative capture reactions, atomic physics, other experiments, work done elsewhere by TUNL personnel, applications, ion source development, accelerator development and instrumentation, computer-related development, ad nuclear theory and phenomenology. Appendixes give lists of journal publications, talks, etc. Twelve of the contributions to this annual report have been abstracted and indexed individually

Black sea annual and inter-annual water mass variations from space

DEFF Research Database (Denmark)

Yildiz, H.; Andersen, Ole Baltazar; Simav, M.

2011-01-01

influenced by the leakage of hydrological signals from the surrounding land. After applying the corresponding correction, we found a good agreement with water mass variations derived from steric-corrected satellite altimetry observations. Both GRACE and altimetry show significant annual water mass variations......This study evaluates the performance of two widely used GRACE solutions (CNES/GRGS RL02 and CSR RL04) in deriving annual and inter-annual water mass variations in the Black Sea for the period 2003–2007. It is demonstrated that the GRACE derived water mass variations in the Black Sea are heavily...

Power theories for improved power quality

CERN Document Server

Pasko, Marian

2012-01-01

Power quality describes a set of parameters of electric power and the load’s ability to function properly under specific conditions. It is estimated that problems relating to power quality costs the European industry hundreds of billions of Euros annually. In contrast, financing for the prevention of these problems amount to fragments of these costs. Power Theories for Improved Power Quality addresses this imbalance by presenting and assessing a range of methods and problems related to improving the quality of electric power supply. Focusing particularly on active compensators and the DSP based control algorithms, Power Theories for Improved Power Quality introduces the fundamental problems of electrical power. This introduction is followed by chapters which discuss: •‘Power theories’ including their historical development and application to practical problems, •operational principles of active compensator’s DSP control based algorithms using examples and results from laboratory research, and •t...

The birth and growth of quantum theory. From quantum hypothesis to quantum mechanics

International Nuclear Information System (INIS)

Peng Huanwu

2001-01-01

The short history covers the birth and early growth of quantum theory from 1900 to 1928, beginning with Planck's formula and the quantum hypothesis for the black-body radiation. After a description of the rise and decline of the old quantum theory in connection with its application in spectroscopy, two paths based on the rigorous formulation of the correspondence principle leading to matrix mechanics (1925) and Dirac's non-commuting q-numbers (1925) are explained. Another path based on the generalization of the wave-particle aspect of light quanta is then shown to lead to wave mechanics (1926). Among the works during the early growth of quantum mechanics in 1927-1928, representation theory, the uncertainty principle, two-electron problems, and Dirac's relativistic theory of electrons are discussed

78 FR 64912 - Annual Retail Trade Survey

Science.gov (United States)

2013-10-30

... collect data covering annual sales, annual e-commerce sales, year-end inventories held inside and outside... provides, on a comparable classification basis, annual sales, annual e-commerce sales, year-end inventories... firms selected will provide, with measurable reliability, statistics on annual sales, annual e-commerce...

Synchrotron radiation spectroscopy including X-ray absorption spectroscopy and industrial applications

International Nuclear Information System (INIS)

Oshima, Masaharu

2016-01-01

Recent trends of synchrotron radiation spectroscopy, especially X-ray absorption spectroscopy for industrial applications are introduced based on our latest results for energy efficient devices such as magnetic RAM, LSI and organic FET, power generation devices such as fuel cells, and energy storage devices such as Li ion batteries. Furthermore, future prospects of spectroscopy with higher energy resolution, higher spatial resolution, higher temporal resolution and operando spectroscopy taking advantage of much brighter synchrotron radiation beam at low emittance SR rings are discussed from the view point of practical applications. (author)

Autofluorescence and diffuse reflectance patterns in cervical spectroscopy

Science.gov (United States)

Marin, Nena Maribel

Fluorescence and diffuse reflectance spectroscopy are two new optical technologies, which have shown promise to aid in the real time, non-invasive identification of cancers and precancers. Spectral patterns carry a fingerprint of scattering, absorption and fluorescence properties in tissue. Scattering, absorption and fluorescence in tissue are directly affected by biological features that are diagnostically significant, such as nuclear size, micro-vessel density, volume fraction of collagen fibers, tissue oxygenation and cell metabolism. Thus, analysis of spectral patterns can unlock a wealth of information directly related with the onset and progression of disease. Data from a Phase II clinical trial to assess the technical efficacy of fluorescence and diffuse reflectance spectroscopy acquired from 850 women at three clinical locations with two research grade optical devices is calibrated and analyzed. Tools to process and standardize spectra so that data from multiple spectrometers can be combined and analyzed are presented. Methodologies for calibration and quality assurance of optical systems are established to simplify design issues and ensure validity of data for future clinical trials. Empirically based algorithms, using multivariate statistical approaches are applied to spectra and evaluated as a clinical diagnostic tool. Physically based algorithms, using mathematical models of light propagation in tissue are presented. The presented mathematical model combines a diffusion theory in P3 approximation reflectance model and a 2-layer fluorescence model using exponential attenuation and diffusion theory. The resulting adjoint fluorescence and reflectance model extracts twelve optical properties characterizing fluorescence efficiency of cervical epithelium and stroma fluorophores, stromal hemoglobin and collagen absorption, oxygen saturation, and stromal scattering strength and shape. Validations with Monte Carlo simulations show that adjoint model extracted

Physics Division annual review, 1 April 1984-31 March 1985

International Nuclear Information System (INIS)

1985-09-01

Separate abstracts were prepared for individual sections in this annual report of the Physics Division of Argonne National Laboratory. Many diverse topics of research were discussed. Among these were topics of medium-energy research such as a study of non-nucleonic effects in nuclei, two-nucleon physics with pions and electrons, nuclear structure studies and weak interaction studies. Research efforts which were performed at the superconducting Linac accelerator were studies of fusion of heavy ions, investigation of quasielastic and strongly damped collisions, studies of high angular momentum states in nuclei, accelerator mass spectrometry, and nuclear spectrometry. Atomic and molecular research programs included photoionization-photoelectron studies, high-resolution laser spectroscopy with beams, beam foil studies, and studies of interactions of beams with solids and gases. Theoretical endeavors were carried out in both atomic physics and nuclear physics

New Hadronic Spectroscopy

International Nuclear Information System (INIS)

Faccini, R.

2010-01-01

In the past few years the field of hadron spectroscopy has seen renewed interest due to the publication, initially mostly from B-Factories, of evidences of states that do not match regular spectroscopy, but are rather candidates for bound states with additional quarks or gluons (four quarks for tetraquarks and molecules and two quarks and gluons for hybrids). A huge effort in understanding the nature of this new states and in building a new spectroscopy is ongoing. This paper reviews the experimental and theoretical state of the art on heavy quarkonium exotic spectroscopy, with particular attention on the steps towards a global picture.

Annual report of the Faculty of Science, Tohoku University, fiscal 1988

International Nuclear Information System (INIS)

Kotani, Akio; Takeuchi, Mine

1989-01-01

The present issue contains the annual reports presented by 17 physical and astronomical study groups at the Tohoku University. The study groups include the High Energy Theory Group, Nuclear Theory Group, Bubble Chamber Physics Laboratory, Nuclear Experimental Group I, Nuclear Experimental Group II, Theoretical Solid State Physics and Statistical Mechanics Group I, Theoretical Solid State Physics and Statistical Mechanics Group II, Theoretical Solid State Physics and Statistical Mechanics Group III, Photoelectron and Synchrotron Radiation Group, Solid State Spectropy Group, Far-Infrared Spectropy Group, Experimental Group on Rare Earth Compounds, Diffraction Group, Low Temperature Physics and Ultra-small Energy Physics Laboratory Group, Neutron Scattering Group, Biophysics Group, and Astronomy Group. For each group, the personnel including the academic staff, secretary, graduate students and research students are listed, and the research activities and major study results are briefly described. Major publications issued by each group are also listed. (N.K.)

Simulating Ru L ₃ -Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

Energy Technology Data Exchange (ETDEWEB)

Van Kuiken, Benjamin E.; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

2013-05-30

Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

Electronics Research Laboratory, Plasma Theory and Simulation Group annual progress report, January 1, 1989--December 31, 1989

International Nuclear Information System (INIS)

Birdsall, C.K.

1989-01-01

This is a brief progress report, covering our research in general plasma theory and simulation, plasma-wall physics theory and simulation, and code development. Reports written in this period are included with this mailing. A publications list plus abstracts for two major meetings are included

JAEA-Tokai TANDEM annual report 2006. April 1, 2006 - March 31, 2007

International Nuclear Information System (INIS)

2008-01-01

This annual report describes a summary of each research activity, which has been carried out using the JAEA-Tokai tandem accelerator with the energy booster from April 1, 2006 to March 31, 2007. The forty-eight summary reports were categorized into seven research/development fields, i.e., (1) accelerator operation and development, (2) nuclear structure, (3) nuclear reaction, (4) nuclear chemistry, (5) nuclear theory, (6) atomic physics and solid state physics, and (7) radiation effects in materials, in addition, lists of publications, personnel and cooperative researches with universities are contained. Regarding the number of summaries each of the fields is as follows: accelerator operation and development - 11, nuclear structure - 11, nuclear reaction - 6, nuclear chemistry - 5, nuclear theory - 4, atomic physics and solid state physics - 3, radiation effects in materials - 8. The 48 of the presented papers are indexed individually. (J.P.N.)

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...

Optical spectroscopy and imaging of the higher energy excitons and bandgap of monolayer MoS2

Science.gov (United States)

Borys, Nicholas; Bao, Wei; Barnard, Edward; Ko, Changhyun; Tongay, Sefaatin; Wu, Junqiao; Yang, Li; Schuck, P. James

Monolayer MoS2 (ML-MoS2) exhibits a rich manifold of excitons that dictate optoelectronic performance and functionality. Disentangling these states, which include the quasi-particle bandgap, is critical for developing 2D optoelectronic devices that operate beyond the optical bandgap. Whereas photoluminescence (PL) spectroscopy only probes the lowest-energy radiative state and absorption spectroscopy fails to discriminate energetically degenerate states, photoluminescence excitation (PLE) spectroscopy selectively probes only the excited states that thermalize to the emissive ground state exciton. Using PLE spectroscopy of ML-MoS2, we identify the Rydberg series of the exciton A and exciton B states as well as signatures of the quasi-particle bandgap and coupling between the indirect C exciton and the lowest-energy A exciton, which have eluded previous PLE studies. The assignment of these states is confirmed with density functional theory. Mapping the PLE spectrum reveals spatial variations of the higher-energy exciton manifold and quasi-particle bandgap which mirror the heterogeneity in the PL but also indicate variations in local exciton thermalization processes and chemical potentials.

Chemical Information revealed by Mössbauer spectroscopy and DFT calculations

Energy Technology Data Exchange (ETDEWEB)

Nakashima, Satoru, E-mail: snaka@hiroshima-u.ac.jp [Hiroshima University, Natural Science Center for Basic Research and Development (Japan)

2017-11-15

Mixed-valence state of binuclear metallocene derivatives and spin-crossover (SCO) phenomena of the assembled Fe(II) complexes have been studied by using Mössbauer spectroscopy. The understanding of the results obtained by Mössbauer spectra is well supported by means of X-ray structural analysis and density functional theory (DFT) calculation. Benchmark study of relativisitic DFT calculation by using Mössbauer isomer shifts of Eu, Np complexes reveals the validity of the calculation. Such study sheds light on the bonding character of 4f and 5f electron. These results are reviewed.

16 CFR 305.5 - Determinations of estimated annual energy consumption, estimated annual operating cost, and...

Science.gov (United States)

2010-01-01

... consumption, estimated annual operating cost, and energy efficiency rating, and of water use rate. 305.5... RULE CONCERNING DISCLOSURES REGARDING ENERGY CONSUMPTION AND WATER USE OF CERTAIN HOME APPLIANCES AND... § 305.5 Determinations of estimated annual energy consumption, estimated annual operating cost, and...

Idaho National Laboratory PCB Annual Document Log and Annual Records Report for calendar year 2014

Energy Technology Data Exchange (ETDEWEB)

Layton, Deborah L. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2015-06-01

The requirements for the reporting of polychlorinated biphenyl (PCB)-related activities are found in 40 Code of Federal Regulations (CFR) 761 Subpart J, "General Records and Reports." The PCB Annual Document Log is a detailed record of the PCB waste handling activities at the facility. The facility must prepare it each year by July 1 and maintain it at the facility for at least 3 years after the facility ceases using or storing PCBs and PCB items. While submittal of the PCB Annual Document Log to the U.S. Environmental Protection Agency (EPA) is not required by regulation, EPA has verbally requested in telephone conversations that this report be submitted to them on an annual basis. The Annual Records are not required to be submitted to EPA and are not considered to be part of the Annual Document Log, but are included to provide the complete disposition history or status of all PCB activities during the year. The Annual Document Log section of this report (Section 2.0) meets the requirements of 40 CFR 761.180(a)(2), as applicable, while the Annual Records section (Section 3.0) meets the requirement of 40 CFR 761.180(a)(1).

64th Annual Meeting of the Austrian Physical Society

International Nuclear Information System (INIS)

2014-01-01

The 64th Annual Meeting of the Austrian physical society, including a special topical Energy Day. was held at the Echophysics – European Centre for the History of Physics, Schloss Pöllau 1, 8225 Pöllau, Austria. The plenary sessions gave an overview of the present status of research in quantum mechanics, particle physics and solid state physics.The topical sessions were dedicated to: nuclear and particle physics; atoms, molecules, quantum optics and plasmas; solid state physics and research with neutron and synchrotron radiation; history of physics; surfaces, interfaces and thin films; nanostructures; fundamental interactions; gravity, quantum chromodynamics; particle theory and collider physics; detectors and methods. Those contributions which are in the INIS subject scope are indexed individually

45 CFR 1176.5 - Annual plan.

Science.gov (United States)

2010-10-01

... 45 Public Welfare 3 2010-10-01 2010-10-01 false Annual plan. 1176.5 Section 1176.5 Public Welfare... ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.5 Annual plan. (a) An agencywide plan for promoting part-time employment opportunities will be developed annually. This plan will establish annual...

The Medicare Annual Wellness Visit.

Science.gov (United States)

Colburn, Jessica L; Nothelle, Stephanie

2018-02-01

The Medicare Annual Wellness Visit is an annual preventive health benefit, which was created in 2011 as part of the Patient Protection and Affordable Care Act. The visit provides an opportunity for clinicians to review preventive health recommendations and screen for geriatric syndromes. In this article, the authors review the requirements of the Annual Wellness Visit, discuss ways to use the Annual Wellness Visit to improve the care of geriatric patients, and provide suggestions for how to incorporate this benefit into a busy clinic. Copyright © 2017 Elsevier Inc. All rights reserved.

Reading Ease of Bilingual Annual Reports.

Science.gov (United States)

Courtis, John K.; Hassan, Salleh

2002-01-01

Examines reading ease between the English and Chinese versions of 65 corporate annual reports in Hong Kong and the English and Malay versions of 53 annual reports in Malaysia. Notes that the English passages in Malaysian annual reports are easier to read than the English passages in Hong Kong annual reports. Suggests that different language…

Not putting all their eggs in one basket: bet-hedging despite extraordinary annual reproductive output of desert tortoises

Science.gov (United States)

Lovich, Jeffrey E.; Ennen, Joshua R.; Yackulic, Charles B.; Meyer-Wilkins, Kathie; Agha, Mickey; Loughran, Caleb L.; Bjurlin, Curtis; Austin, Meaghan; Madrak, Sheila V.

2015-01-01

Bet-hedging theory makes the counter-intuitive prediction that, if juvenile survival is low and unpredictable, organisms should consistently reduce short-term reproductive output to minimize the risk of reproductive failure in the long-term. We investigated the long-term reproductive output of an Agassiz's desert tortoise (Gopherus agassizii) population and conformance to a bet-hedging strategy of reproduction in an unpredictable but comparatively productive environment. Most females reproduced every year, even during periods of low precipitation and poor germination of food plants, and the mean percentage of reproducing females did not differ significantly on an annual basis. Although mean annual egg production (clutch size × clutch frequency) differed significantly among years, mean clutch size and mean clutch frequency remained relatively constant. During an El Niño year, mean annual egg production and mean annual clutch frequency were the highest ever reported for this species. Annual egg production was positively influenced by maternal body size but clutch size and clutch frequency were not. Our long-term results confirm earlier conclusions based on short-term research that desert tortoises have a bet-hedging strategy of producing small clutches almost every year. The risk of long-term reproductive failure is minimized in unpredictable environments, both through time by annually producing multiple small clutches over a long reproductive lifespan, even in years of low resource availability, and through space by depositing multiple annual clutches in different locations. The extraordinary annual reproductive output of this population appears to be the result of a typically high but unpredictable biomass of annual food plants at the site relative to tortoise habitat in dryer regions. Under the comparatively productive but unpredictable conditions, tortoises conform to predictions of a bet-hedging strategy of reproduction with relatively small but consistent

Study of carvedilol by combined Raman spectroscopy and ab initio MO calculations

OpenAIRE

Marques, M. P. M.; Oliveira, P. J.; Moreno, A. J. M.; Carvalho, L. A. E. Batista de

2002-01-01

The novel cardioprotective drug carvedilol was studied by both Raman spectroscopy and ab initio molecular orbital methods (using the density functional theory approach). The spectra, acquired both for the solid samples and DMSO solutions as a function of pH, were assigned in view of the calculated wavenumbers and intensities, and also based on the experimental data obtained for individual compounds which comprise the molecule, namely carbazole and 1,2-dimethoxybenzene. The pH dependence of th...

A functional near-infrared spectroscopy study of lexical decision task supports the dual route model and the phonological deficit theory of dyslexia.

Science.gov (United States)

Sela, Itamar; Izzetoglu, Meltem; Izzetoglu, Kurtulus; Onaral, Banu

2014-01-01

The dual route model (DRM) of reading suggests two routes of reading development: the phonological and the orthographic routes. It was proposed that although the two routes are active in the process of reading; the first is more involved at the initial stages of reading acquisition, whereas the latter needs more reading training to mature. A number of studies have shown that deficient phonological processing is a core deficit in developmental dyslexia. According to the DRM, when the Lexical Decision Task (LDT) is performed, the orthographic route should also be involved when decoding words, whereas it is clear that when decoding pseudowords the phonological route should be activated. Previous functional near-infrared spectroscopy (fNIR) studies have suggested that the upper left frontal lobe is involved in decision making in the LDT. The current study used fNIR to compare left frontal lobe activity during LDT performance among three reading-level groups: 12-year-old children, young adult dyslexic readers, and young adult typical readers. Compared to typical readers, the children demonstrated lower activity under the word condition only, whereas the dyslexic readers showed lower activity under the pseudoword condition only. The results provide evidence for upper left frontal lobe involvement in LDT and support the DRM and the phonological deficit theory of dyslexia.

Annual Report 1997

Energy Technology Data Exchange (ETDEWEB)

Golnik, N.; Mika, J.R.; Wieteska, K. [eds.

1998-12-31

This Annual Report of the Institute of Atomic Energy describes the results of the research works carried out at the Institute at 1997. As in the preceding years the authors of the individual scientific reports published in this Annual Report are fully responsible for their content and layout. The Report contains the information on other activities of the Institute as well. (author)

Annual Report 2001

International Nuclear Information System (INIS)

Swiboda, G.

2002-01-01

This Annual Report of the Institute of Atomic Energy describes the results of the research works carried out at the Institute at 2001. As in the preceding years the authors of the individual scientific reports published in this Annual Report are fully responsible for their content and layout. The Report contains the information on other activities of the Institute as well. (author)

Annual Report 1997

International Nuclear Information System (INIS)

Golnik, N.; Mika, J.R.; Wieteska, K.

1998-01-01

This Annual Report of the Institute of Atomic Energy describes the results of the research works carried out at the Institute at 1997. As in the preceding years the authors of the individual scientific reports published in this Annual Report are fully responsible for their content and layout. The Report contains the information on other activities of the Institute as well. (author)

Annual Report 1997

Energy Technology Data Exchange (ETDEWEB)

Golnik, N; Mika, J R; Wieteska, K [eds.

1999-12-31

This Annual Report of the Institute of Atomic Energy describes the results of the research works carried out at the Institute at 1997. As in the preceding years the authors of the individual scientific reports published in this Annual Report are fully responsible for their content and layout. The Report contains the information on other activities of the Institute as well. (author)

Breast cancer diagnosis using FT-RAMAN spectroscopy

Science.gov (United States)

Bitar, Renata A.; Martin, Airton A.; Criollo, Carlos J. T.; Ramalho, Leandra N. Z.

2005-04-01

In this study FT-RAMAN spectra of breast tissue from 35 patients were obtained and separated into nine groups for histopathologic analysis, which are as follows: normal breast tissue, fibrocystic condition, in situ ductal carcinoma, in situ ductal carcinoma with necrosis, infiltrate ductal carcinoma, infiltrate inflammatory ductal carcinoma, infiltrate medullar ductal carcinoma, infiltrate colloid ductal carcinoma, and infiltrate lobular carcinoma. Using spectrum averages taken from each group a qualitative analysis was performed to compare these molecular compositions to those known to be present in abnormal concentrations in pathological situations, e.g. the development of desmoplastic lesions with a stroma of dense collagen in tumoral breast tissues which substitute adipose stroma of non-diseased breast tissue. The band identified as amino acids, offered basis for observation in the existence of alterations in the proteins, thus proving Raman Spectroscopic capacity in identification of primary structures of proteins; secondary protein structure was also identified through the peptic links, Amide I and Amide III, which have also been identified by various authors. Alterations were also identified in the peaks and bandwidths of nucleic acids demonstrating the utilization of Raman Spectroscopy in the analysis of the cells nucleus manifestations. All studies involving Raman Spectroscopy and breast cancer have shown excellent result reliability and therefore a basis for the technical theory.

Annual report 1976

International Nuclear Information System (INIS)

1977-01-01

This annual report is the fifth issued in English from the Tandem Accelerator Laboratory in Uppsala since research was started in November 1970. It covers work performed during the calendar year 1976 and updates information given in earlier annual reports with regard to laboratory facilities such as computer configuration and layout of the experimental area. The descriptions of the research projects are also in general more detailed than usual and may sometime contain results obtained before 1976 in order to avoid too many references to earlier annual reports. It has, for instance, been thought of interest to make the sections on the study of beam foil excitation of atoms and on the measurements of nuclear deformations by the REPREC method quite extensive. (Auth.)

X-Ray Fluorescence and Laser-Induced Breakdown Spectroscopy analysis of Roman silver denarii

Energy Technology Data Exchange (ETDEWEB)

Pardini, L. [Istituto di Chimica dei Composti Organometallici del CNR, Research Area of Pisa, Via G. Moruzzi 1, 56124 Pisa (Italy); El Hassan, A. [National Institute for Laser- Enhanced Sciences (NILES), Cairo University Giza (Egypt); Ferretti, M. [Istituto per le Tecnologie Applicate ai Beni Culturali, Area della Ricerca del CNR di Montelibretti Roma (Italy); Foresta, A.; Legnaioli, S.; Lorenzetti, G. [Istituto di Chimica dei Composti Organometallici del CNR, Research Area of Pisa, Via G. Moruzzi 1, 56124 Pisa (Italy); Nebbia, E. [Universita degli Studi di Torino (Italy); Catalli, F. [Monetiere di Firenze, Museo Archeologico Nazionale Firenze (Italy); Harith, M.A. [National Institute for Laser- Enhanced Sciences (NILES), Cairo University Giza (Egypt); Diaz Pace, D. [Institute of Physics ' Arroyo Seco' , Faculty of Science, Tandil (Argentina); Anabitarte Garcia, F. [Photonics Engineering Group, University of Cantabria, Santander (Spain); Scuotto, M. [Dipartimento di Scienze Archeologiche, Via Galvani 1, 56126 Pisa (Italy); Palleschi, V., E-mail: vincenzo.palleschi@cnr.it [Istituto di Chimica dei Composti Organometallici del CNR, Research Area of Pisa, Via G. Moruzzi 1, 56124 Pisa (Italy); Dipartimento di Scienze Archeologiche, Via Galvani 1, 56126 Pisa (Italy)

2012-08-15

In this paper we present the results of a study performed on a large collection of silver Roman republican denarii, encompassing about two centuries of history. The joint use of Laser-Induced Breakdown Spectroscopy (LIBS) and X-Ray Fluorescence (XRF) spectroscopy allowed for an accurate determination of the coins' elemental composition; the measurements, performed mostly in situ at the 'Monetiere' in Florence, revealed a striking connection between the 'quality' of the silver alloy and some crucial contemporary events. This finding was used to classify a group of denarii whose dating was otherwise impossible. The comparison with other contemporary denarii disproves a recent theory on the origin of the so called 'serrated' denarii (denarii showing notched chisel marks on the edge of the coin). - Highlights: Black-Right-Pointing-Pointer We studied a large collection of Roman republican silver denarii. Black-Right-Pointing-Pointer XRF and LIBS allowed to determine the precious metal content of the coins. Black-Right-Pointing-Pointer A correlation of the 'quality' of the alloy with some contemporary events was found. Black-Right-Pointing-Pointer The study allowed to controvert a recent theory on the so called 'serrated' denarii.

Spectroscopy in catalysis : an introduction

NARCIS (Netherlands)

Niemantsverdriet, J.W.

2000-01-01

Spectroscopy in Catalysis describes the most important modern analytical techniques used to investigate catalytic surfaces. These include electron spectroscopy (XPS, UPS, AES, EELS), ion spectroscopy (SIMS, SNMS, RBS, LEIS), vibrational spectroscopy (infrared, Raman, EELS), temperature-programmed

Stockholder Reactions to Corporate Annual Reports.

Science.gov (United States)

Means, Thomas Lee

A study was conducted to assess the extent to which (1) stockholders consider corporate annual reports to be informative and useful, (2) they actually read annual reports, (3) they consider annual reports to be impressive, and (4) they are motivated by the annual report to invest further in corporations in which they already own stock. After the…

Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

Science.gov (United States)

Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

2007-08-16

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Study of the Neutron Deficient Pb and Bi Isotopes by Simultaneous Atomic- and Nuclear-Spectroscopy

CERN Multimedia

Kessler, T

2002-01-01

We propose to study systematically nuclear properties of the neutron deficient lead $^{183-189}$Pb, $^{191g}$Pb, $^{193g}$Pb and bismuth isotopes $^{188-200}$Bi by atomic spectroscopy with the ISOLDE resonance ionisation laser ion source (RILIS) combined with simultaneous nuclear spectroscopy at the detection set-up. The main focus is the determination of the mean square charge radii of $^{183-190}$Pb and $^{188-193}$Bi from which the influence of low-lying intruder states should become obvious. Also the nuclear spin and magnetic moments of ground-states and long-lived isomers will be determined unambiguously through evaluation of the hyperfine structure, and new isomers could be discovered. The decay properties of these nuclei can be measured by $\\alpha$-$\\gamma$ and $\\beta$-$\\gamma$ spectroscopy. With this data at hand, possible shape transitions around mid-shell at N$\\sim$104 will be studied. This data is crucial for the direct test of nuclear theory in the context of intruder state influence (e.g. energy ...

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.

Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy.

Science.gov (United States)

Spencer, Liam P; Yang, Ping; Minasian, Stefan G; Jilek, Robert E; Batista, Enrique R; Boland, Kevin S; Boncella, James M; Conradson, Steven D; Clark, David L; Hayton, Trevor W; Kozimor, Stosh A; Martin, Richard L; MacInnes, Molly M; Olson, Angela C; Scott, Brian L; Shuh, David K; Wilkerson, Marianne P

2013-02-13

Synthetic routes to salts containing uranium bis-imido tetrahalide anions [U(NR)(2)X(4)](2-) (X = Cl(-), Br(-)) and non-coordinating NEt(4)(+) and PPh(4)(+) countercations are reported. In general, these compounds can be prepared from U(NR)(2)I(2)(THF)(x) (x = 2 and R = (t)Bu, Ph; x = 3 and R = Me) upon addition of excess halide. In addition to providing stable coordination complexes with Cl(-), the [U(NMe)(2)](2+) cation also reacts with Br(-) to form stable [NEt(4)](2)[U(NMe)(2)Br(4)] complexes. These materials were used as a platform to compare electronic structure and bonding in [U(NR)(2)](2+) with [UO(2)](2+). Specifically, Cl K-edge X-ray absorption spectroscopy (XAS) and both ground-state and time-dependent hybrid density functional theory (DFT and TDDFT) were used to probe U-Cl bonding interactions in [PPh(4)](2)[U(N(t)Bu)(2)Cl(4)] and [PPh(4)](2)[UO(2)Cl(4)]. The DFT and XAS results show the total amount of Cl 3p character mixed with the U 5f orbitals was roughly 7-10% per U-Cl bond for both compounds, which shows that moving from oxo to imido has little effect on orbital mixing between the U 5f and equatorial Cl 3p orbitals. The results are presented in the context of recent Cl K-edge XAS and DFT studies on other hexavalent uranium chloride systems with fewer oxo or imido ligands.

Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: Ethanol

International Nuclear Information System (INIS)

Deleuze, Michael S; Hajgato, Balazs; Morini, Filippo

2009-01-01

Calculations of electron momentum distributions employing advanced Dyson orbital theories and statistical thermodynamics beyond the RRHO approximation fail to quantitatively reproduce the outermost momentum profile inferred from experiments on ethanol employing high resolution Electron Momentum Spectroscopy [1]. Study of the influence of nuclear dynamics in the initial ground state and final ionized state indicates that this discrepancy between theory and experiment reflects a charge transfer occurring during an ultra-fast dissociation of the ethanol radical cation into a methyl radical and H 2 C=O-H + .

Dye lasers in atomic spectroscopy

International Nuclear Information System (INIS)

Lange, W.; Luther, J.; Steudel, A.

1974-01-01

The properties of dye lasers which are relevant to atomic spectroscopy are discussed. Several experiments made possible by tunable dye lasers are discussed. Applications of high spectral density dye lasers are covered in areas such as absorption spectroscopy, fluorescence spectroscopy, photoionization and photodetachment, and two- and multi-photon processes. Applications which take advantage of the narrow bandwidth of tunable dye lasers are discussed, including saturation spectroscopy, fluorescence line narrowing, classic absorption and fluorescence spectroscopy, nonoptical detection of optical resonances, heterodyne spectroscopy, and nonlinear coherent resonant phenomena. (26 figures, 180 references) (U.S.)

Annual report 1984

International Nuclear Information System (INIS)

Fifield, L.K.

The research program reported is in the following areas: nuclei far from stability, nuclear reactions and scattering, coulomb excitatio discrete gamma-ray spectroscopy, fission and fusion studies, hyperf interaction studies, beta decay, atomic collisions in solids and mass spectroscopy. Research equipment includes the 14UD accelerato and SHEBA - the superconducting heavy-ion booster accelerator

CSIR Annual report 1992

CSIR Research Space (South Africa)

CSIR

1992-01-01

Full Text Available stream_source_info Annual Report_ 1992.pdf.txt stream_content_type text/plain stream_size 39 Content-Encoding ISO-8859-1 stream_name Annual Report_ 1992.pdf.txt Content-Type text/plain; charset=ISO-8859-1 ...

CSIR Annual report 1976

CSIR Research Space (South Africa)

CSIR

1976-01-01

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CSIR Annual report 1978

CSIR Research Space (South Africa)

CSIR

1978-01-01

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CSIR Annual report 1965

CSIR Research Space (South Africa)

CSIR

1965-01-01

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CSIR Annual report 1991

CSIR Research Space (South Africa)

CSIR

1991-01-01

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CSIR Annual report 1979

CSIR Research Space (South Africa)

CSIR

1979-01-01

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Annual report to Congress

International Nuclear Information System (INIS)

1987-01-01

This is the ninth Annual Report to Congress of the United States Department of Energy. It covers the activities of all elements of the Department except the independent Federal Regulatory Commission, which issues its own annual report. 88 refs., 43 tabs

Theory of RBE. Annual technical progress report, 1 January--31 December, 1994

International Nuclear Information System (INIS)

Katz, R.

1994-01-01

In researching the theory of RBE, attention is focused on several topics of importance. They include: improving knowledge of the radial distribution of dose about the path of an energetic heavy ion in different media; calculations which have demonstrated that three Escherichia coli mutants behave as 1-hit detectors; lethal mutations in a nematode induced by gamma radiation and heavy ion beams; prevalence in cancer induction in the Harderian gland by HZE particles; subtleties in the analysis of radiobiological data; low-dose irradiation effects; high LET effects; cellular radiosensitivity parameters; and radial dose calculations for mammalian cells

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

Laboratory for Laser Energetics annual report, 1 October 1984-30 September 1985

International Nuclear Information System (INIS)

1986-01-01

Overviews of the GDL and OMEGA facilities are given. The retrofit of the GDL with liquid crystal polarizers is described. Synchronization of the actively mode-locked and actively Q-switched oscillators is described. Progress in laser fusion includes a theory of electron heat transport, sputter-coating of laser targets, absorption line measurement of the tamper, x-ray conversion for high-Z targets, mass ablation in uv-irradiated targets, uv target designs, stimulated Raman scattering in a collisional homogeneous plasma, and absorption spectroscopy as a diagnostic. 267 refs., 134 figs., 113 tabs

High energy particle physics at Purdue. Annual progress report, March 1981-1982

International Nuclear Information System (INIS)

Gaidos, J.A.; Koltick, D.S.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Willmann, R.B.

1982-01-01

Progress is reported in these areas: study of electron positron annihilation using the High Resolution Spectrometer at PEP; experimental study of proton decay; a study of rare processes in meson spectroscopy utilizing the SLAC Hybrid Bubble Chamber System; theory of fundamental problems of gravitational, electromagnetic, weak, and strong interactions; experimental study of chi production by hadrons; p-nucleus interactions; development of the Collider Detector at Fermilab; anitneutrino physics and low energy neutrino physics; and the study of the observed hadrons as the relativistic bound states of baryons and antibaryons

Nuclear Level Densities for Modeling Nuclear Reactions: An Efficient Approach Using Statistical Spectroscopy: Annual Scientific Report July 2004

International Nuclear Information System (INIS)

Calvin W. Johnson

2004-01-01

The general goal of the project is to develop and implement computer codes and input files to compute nuclear densities of state. Such densities are important input into calculations of statistical neutron capture, and are difficult to access experimentally. In particular, we will focus on calculating densities for nuclides in the mass range A ?????? 50 - 100. We use statistical spectroscopy, a moments method based upon a microscopic framework, the interacting shell model. In this report we present our progress for the past year

Inertial Confinement Fusion Annual Report 1997

International Nuclear Information System (INIS)

Correll, D

1998-01-01

The ICF Annual Report provides documentation of the achievements of the LLNL ICF Program during the fiscal year by the use of two formats: (1) an Overview that is a narrative summary of important results for the fiscal year and (2) a compilation of the articles that previously appeared in the ICF Quarterly Report that year. Both the Overview and Quarterly Report are also on the Web at http://lasers.llnl.gov/lasers/pubs/icfq.html. Beginning in Fiscal Year 1997, the fourth quarter issue of the ICF Quarterly was no longer printed as a separate document but rather included in the ICF Annual. This change provided a more efficient process of documenting our accomplishments with-out unnecessary duplication of printing. In addition we introduced a new document, the ICF Program Monthly Highlights. Starting with the September 1997 issue and each month following, the Monthly Highlights will provide a brief description of noteworthy activities of interest to our DOE sponsors and our stakeholders. The underlying theme for LLNL's ICF Program research continues to be defined within DOE's Defense Programs missions and goals. In support of these missions and goals, the ICF Program advances research and technology development in major interrelated areas that include fusion target theory and design, target fabrication, target experiments, and laser and optical science and technology. While in pursuit of its goal of demonstrating thermonuclear fusion ignition and energy gain in the laboratory, the ICF Program provides research and development opportunities in fundamental high-energy-density physics and supports the necessary research base for the possible long-term application of inertial fusion energy for civilian power production. ICF technologies continue to have spin-off applications for additional government and industrial use. In addition to these topics, the ICF Annual Report covers non-ICF funded, but related, laser research and development and associated applications. We also

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)

Mid-infrared upconversion spectroscopy

DEFF Research Database (Denmark)

Tidemand-Lichtenberg, Peter; Dam, Jeppe Seidelin; Andersen, H. V.

2016-01-01

Mid-infrared (MIR) spectroscopy is emerging as an attractive alternative to near-infrared or visible spectroscopy. MIR spectroscopy offers a unique possibility to probe the fundamental absorption bands of a large number of gases as well as the vibrational spectra of complex molecules. In this paper...

Triangle Universities Nuclear Laboratory annual report: TUNL, XV. 1 January 1976--31 December 1976

International Nuclear Information System (INIS)

1976-01-01

Brief reports of research are presented under the following categories: neutron and fission physics, neutron polarization studies, high-resolution studies, gamma ray spectroscopy, charged-particle reactions with polarized beams, radiative capture reactions, atomic collision physics, heavy-ion reactions, applications, ion source development, accelerator development and instrumentation, computer-related developments, and nuclear theory and phenomenology. Although some data are furnished, many of these partial-page summaries are simply abstracts of published papers. Lists of publications, talks, personnel, etc., are included

Electron spin resonance (ESR) spectroscopy applied to radiation dosimetry and other fields

International Nuclear Information System (INIS)

Schneider, C.C.J.

1994-12-01

A short introduction to the theory and practice of ESR spectroscopy is given. ESR alanine dosimetry for low and high LET (linear energy transfer) ionising radiation is described, indicating its advantages over traditional methods. Problems arising in the therapy dose range (below 5 Gy), and possible future developments, are mentioned. The application of ESR to the radiation processing of materials and foodstuffs, to geological dating, biology, molecular chemistry and to medicine is discussed. Some examples of chemical analyses are also presented. (orig.)

General theoretical description of angle-resolved photoemission spectroscopy of van der Waals structures

Science.gov (United States)

Amorim, B.

2018-04-01

We develop a general theory to model the angle-resolved photoemission spectroscopy (ARPES) of commensurate and incommensurate van der Waals (vdW) structures, formed by lattice mismatched and/or misaligned stacked layers of two-dimensional materials. The present theory is based on a tight-binding description of the structure and the concept of generalized umklapp processes, going beyond previous descriptions of ARPES in incommensurate vdW structures, which are based on continuous, low-energy models, being limited to structures with small lattice mismatch/misalignment. As applications of the general formalism, we study the ARPES bands and constant energy maps for two structures: twisted bilayer graphene and twisted bilayer MoS2. The present theory should be useful in correctly interpreting experimental results of ARPES of vdW structures and other systems displaying competition between different periodicities, such as two-dimensional materials weakly coupled to a substrate and materials with density wave phases.

Re-evaluation of model-based light-scattering spectroscopy for tissue spectroscopy

Science.gov (United States)

Lau, Condon; Šćepanović, Obrad; Mirkovic, Jelena; McGee, Sasha; Yu, Chung-Chieh; Fulghum, Stephen; Wallace, Michael; Tunnell, James; Bechtel, Kate; Feld, Michael

2009-01-01

Model-based light scattering spectroscopy (LSS) seemed a promising technique for in-vivo diagnosis of dysplasia in multiple organs. In the studies, the residual spectrum, the difference between the observed and modeled diffuse reflectance spectra, was attributed to single elastic light scattering from epithelial nuclei, and diagnostic information due to nuclear changes was extracted from it. We show that this picture is incorrect. The actual single scattering signal arising from epithelial nuclei is much smaller than the previously computed residual spectrum, and does not have the wavelength dependence characteristic of Mie scattering. Rather, the residual spectrum largely arises from assuming a uniform hemoglobin distribution. In fact, hemoglobin is packaged in blood vessels, which alters the reflectance. When we include vessel packaging, which accounts for an inhomogeneous hemoglobin distribution, in the diffuse reflectance model, the reflectance is modeled more accurately, greatly reducing the amplitude of the residual spectrum. These findings are verified via numerical estimates based on light propagation and Mie theory, tissue phantom experiments, and analysis of published data measured from Barrett’s esophagus. In future studies, vessel packaging should be included in the model of diffuse reflectance and use of model-based LSS should be discontinued. PMID:19405760

Characterization of point defects in CdTe by positron annihilation spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Elsharkawy, M. R. M. [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt); Kanda, G. S.; Keeble, D. J., E-mail: d.j.keeble@dundee.ac.uk [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Abdel-Hady, E. E. [Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt)

2016-06-13

Positron lifetime measurements on CdTe 0.15% Zn-doped by weight are presented, trapping to monovacancy defects is observed. At low temperatures, localization at shallow binding energy positron traps dominates. To aid defect identification density functional theory, calculated positron lifetimes and momentum distributions are obtained using relaxed geometry configurations of the monovacancy defects and the Te antisite. These calculations provide evidence that combined positron lifetime and coincidence Doppler spectroscopy measurements have the capability to identify neutral or negative charge states of the monovacancies, the Te antisite, A-centers, and divacancy defects in CdTe.

Advances in DUV spectroscopy

DEFF Research Database (Denmark)

Buchhave, Preben; Tidemand-Lichtenberg, Peter; Mogensen, Claus Tilsted

The would-be advantages of deep UV (DUV) spectroscopy are well known, but the potential applications have so far not been fully realized due to technological limitations and, perhaps, lack of bright ideas. However, new components and new knowledge about DUV spectra and spectroscopic methods...... combined with increasing needs for solutions to practical problems in environmental protection, medicine and pollution monitoring promise a new era in DUV spectroscopy. Here we shall review the basis for DUV spectroscopy, both DUV fluorescence and DUV Raman spectroscopy, and describe recent advances...

SERC Central Laser Facility annual report 1992

International Nuclear Information System (INIS)

1992-01-01

In this 1992 Annual Report to the Laser Facility Committee of the Science and Engineering Research Council, the Central Laser Facility at Rutherford Appleton Laboratory, technical progress is described and mid-term organizational goals outlined. Outstanding among recent achievements is the work on plasma heating being undertaken on the Sprite facility using the ultra-bright KrF laser pumped Raman beams. Two-beam operation at power levels approaching 2 TW in 10 ps are hoped for. On a four year timescale the Titania system will provide four Raman beams of exceptional brightness and power up to 20TW in 10ps. The other high power laser facility, Vulcan is also producing exciting work. Progress in nanosecond studies using Raman spectroscopy have produced the first Raman spectrum of solvated Buckmister fullerene and direct observation of the separation of germinate ion pairs, as well as information on the behaviour of a single base in an oligonuclide chain. Phase boundaries for the solidification of a two dimensional electron fluid have been determined in a Gallium Arsenide heterojunction. Despite staff number attrition, operation and development of the facilities have continued successfully. (UK)

Idaho National Laboratory PCB Annual Document Log and Annual Records Report for Calendar Year 2013

Energy Technology Data Exchange (ETDEWEB)

no name on report

2014-06-01

The requirements for the reporting of polychlorinated biphenyl (PCB)-related activities are found in 40 Code of Federal Regulations (CFR) 761 Subpart J, "General Records and Reports." The PCB Annual Document Log is a detailed record of the PCB waste handling activities at the facility. The facility must prepare it each year by July 1 and maintain it at the facility for at least 3 years after the facility ceases using or storing PCBs and PCB items. While submittal of the PCB Annual Document Log to the U.S. Environmental Protection Agency (EPA) is not required by regulation, EPA has verbally requested in telephone conversations that this report be submitted to them on an annual basis. The Annual Document Log section of this report meets the requirements of 40 CFR 761.180(a)(2), as applicable, while the Annual Records section meets the requirement of 40 CFR 761.180(a)(1).

Annual report 1986 Foundation for fundamental research on matter

International Nuclear Information System (INIS)

Eggen, J.J.H.; Ebbing, G.E.G.

1987-01-01

The Dutch Foundation for Fundamental Research of Matter (FOM) makes it her aim to stimulate the fundamentally scientific research of matter in the Netherlands. She attempts to obtain this by coordinating of existing research projects and by involving her institutes and research groups in the education of young physicists. The research groups are classified in eight socalled research communities: nuclear physics, atomic physics, metals, semiconductors, solid state, thermonuclear research and plasma physics, theoretic high-energy physics. Besides accounts of the management, financial and personnel affairs, and professional/organizational reports of the aforementioned research communities and corresponding research groups, this annual report presents a number of trend articles of which one, treating superstring theory, is in INIS scope. (H.W.) refs.; figs.; tabs

Natural gas annual 1991

International Nuclear Information System (INIS)

1993-01-01

The Natural Gas Annual 1991 provides information on the supply and disposition of natural gas to a wide audience including industry, consumers Federal and State agencies, and education institutions. This report, the Natural Gas Annual 1991 Supplement: Company Profiles, presents a detailed profile of selected companies

Surface enhanced raman spectroscopy analytical, biophysical and life science applications

CERN Document Server

Schlücker, Sebastian

2013-01-01

Covering everything from the basic theoretical and practical knowledge to new exciting developments in the field with a focus on analytical and life science applications, this monograph shows how to apply surface-enhanced Raman scattering (SERS) for solving real world problems. From the contents: * Theory and practice of SERS * Analytical applications * SERS combined with other analytical techniques * Biophysical applications * Life science applications including various microscopies Aimed at analytical, surface and medicinal chemists, spectroscopists, biophysicists and materials scientists. Includes a Foreword by the renowned Raman spectroscopist Professor Wolfgang Kiefer, the former Editor-in-Chief of the Journal of Raman Spectroscopy.

Physisorbed H{sub 2}@Cu(100) surface: Potential and spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Bernard, Eddy; Houriez, Céline; Mitrushchenkov, Alexander O.; Guitou, Marie; Chambaud, Gilberte, E-mail: gilberte.chambaud@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi-Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, Champs sur Marne, F-77454 Marne-la-Vallée (France)

2015-02-07

Using an embedding approach, a 2-D potential energy function has been calculated to describe the physisorption interaction of H{sub 2} with a Cu(100) surface. For this purpose, a cluster model of the system calculated with highly correlated wavefunctions is combined with a periodic Density-Functional-Theory method using van der Waals-DF2 functional. Rotational and vibrational energy levels of physisorbed H{sub 2}, as well as D{sub 2} and HD, are calculated using the 2D embedding corrected potential energy function. The calculated transitions are in a very good agreement with Electron-Energy-Loss-Spectroscopy observations.

Quantum theory of dynamic multiple light scattering in fluctuating disordered media

International Nuclear Information System (INIS)

Skipetrov, S. E.

2007-01-01

We formulate a quantum theory of dynamic multiple light scattering in fluctuating disordered media and calculate the fluctuation and the autocorrelation function of the photon number operator for light transmitted through a disordered slab. The effect of disorder on the information capacity of a quantum communication channel operating in a disordered environment is estimated, and the use of squeezed light in diffusing-wave spectroscopy is discussed

Soil respiration at mean annual temperature predicts annual total across vegetation types and biomes

Directory of Open Access Journals (Sweden)

M. Bahn

2010-07-01

Full Text Available Soil respiration (SR constitutes the largest flux of CO₂ from terrestrial ecosystems to the atmosphere. However, there still exist considerable uncertainties as to its actual magnitude, as well as its spatial and interannual variability. Based on a reanalysis and synthesis of 80 site-years for 57 forests, plantations, savannas, shrublands and grasslands from boreal to tropical climates we present evidence that total annual SR is closely related to SR at mean annual soil temperature (SR_MAT, irrespective of the type of ecosystem and biome. This is theoretically expected for non water-limited ecosystems within most of the globally occurring range of annual temperature variability and sensitivity (Q₁₀. We further show that for seasonally dry sites where annual precipitation (P is lower than potential evapotranspiration (PET, annual SR can be predicted from wet season SR_MAT corrected for a factor related to P/PET. Our finding indicates that it can be sufficient to measure SR_MAT for obtaining a well constrained estimate of its annual total. This should substantially increase our capacity for assessing the spatial distribution of soil CO₂ emissions across ecosystems, landscapes and regions, and thereby contribute to improving the spatial resolution of a major component of the global carbon cycle.

Resonance ionization spectroscopy in dysprosium

Energy Technology Data Exchange (ETDEWEB)

Studer, D., E-mail: dstuder@uni-mainz.de; Dyrauf, P.; Naubereit, P.; Heinke, R.; Wendt, K. [Johannes Gutenberg-Universität Mainz, Institut für Physik (Germany)

2017-11-15

We report on resonance ionization spectroscopy (RIS) of high-lying energy levels in dysprosium. We developed efficient excitation schemes and re-determined the first ionization potential (IP) via analysis of Rydberg convergences. For this purpose both two- and three-step excitation ladders were investigated. An overall ionization efficiency of 25(4) % could be demonstrated in the RISIKO mass separator of Mainz University, using a three-step resonance ionization scheme. Moreover, an extensive analysis of the even-parity 6sns- and 6snd-Rydberg-series convergences, measured via two-step excitation was performed. To account for strong perturbations in the observed s-series, the approach of multichannel quantum defect theory (MQDT) was applied. Considering all individual series limits we extracted an IP-value of 47901.76(5) cm{sup −1}, which agrees with the current literature value of 47901.7(6) cm{sup −1}, but is one order of magnitude more precise.

A new NH 3 orbital of the NH 3/Ni(110) surface observed by metastable quenching spectroscopy

Science.gov (United States)

Lee, Lihwa; Arias, Jose; Hanrahan, Ciaran; Martin, Richard M.; Metiu, Horia

1986-01-01

By using metastable quenching spectroscopy we have found a new NH 3 filled orbital (in the language of one electron theory) for NH 3/Ni(110), located at the Fermi level of the surface. The orbital is not observed when NH 3 is adsorbed on Ni(110), but it is detected for NH 3 adsorbed on polycrystalline Al.

Annual report 1981-1982

International Nuclear Information System (INIS)

1983-01-01

The activities of the nuclear research center of Bordeaux-Gradignan are reported here. The important subjects are nuclear spectroscopy, fission (fragmentation and dynamics), nuclear interaction mechanisms (high energy, neutron-induced reactions, heavy-ion induced reactions), X spectroscopy [fr

Mapping atomic contact between pentacene and a Au surface using scanning tunneling spectroscopy.

Science.gov (United States)

Song, Young Jae; Lee, Kyuho; Kim, Seong Heon; Choi, Byoung-Young; Yu, Jaejun; Kuk, Young

2010-03-10

We mapped spatially varying intramolecular electronic structures on a pentacene-gold interface using scanning tunneling spectroscopy. Along with ab initio calculations based on density functional theory, we found that the directional nature of the d orbitals of Au atoms plays an important role in the interaction at the pentacene-gold contact. The gold-induced interface states are broadened and shifted by various pentacene-gold distances determined by the various registries of a pentacene molecule on a gold substrate.

Freeze-quench (57)Fe-Mössbauer spectroscopy: trapping reactive intermediates.

Science.gov (United States)

Krebs, Carsten; Bollinger, J Martin

2009-01-01

(57)Fe-Mössbauer spectroscopy is a method that probes transitions between the nuclear ground state (I=1/2) and the first nuclear excited state (I=3/2). This technique provides detailed information about the chemical environment and electronic structure of iron. Therefore, it has played an important role in studies of the numerous iron-containing proteins and enzymes. In conjunction with the freeze-quench method, (57)Fe-Mössbauer spectroscopy allows for monitoring changes of the iron site(s) during a biochemical reaction. This approach is particularly powerful for detection and characterization of reactive intermediates. Comparison of experimentally determined Mössbauer parameters to those predicted by density functional theory for hypothetical model structures can then provide detailed insight into the structures of reactive intermediates. We have recently used this methodology to study the reactions of various mononuclear non-heme-iron enzymes by trapping and characterizing several Fe(IV)-oxo reaction intermediates. In this article, we summarize these findings and demonstrate the potential of the method. © Springer Science+Business Media B.V. 2009

Non-rigid molecular group theory and its applications

International Nuclear Information System (INIS)

Balasubramanian, K.

1982-06-01

The use of generalized wreath product groups as representations of symmetry groups of nonrigid molecules is considered. Generating function techniques are outlined for nuclear spin statistics and character tables of the symmetry groups of nonrigid molecules. Several applications of nonrigid molecular group theory to NMR spectroscopy, rovibronic splitting and nuclear spin statistics of nonrigid molecules, molecular beam deflection and electric resonance experiments of weakly bound Van der Waal complexes, isomerization processes, configuration interaction calculations and the symmetry of crystals with structural distortions are described. 81 references

77 FR 64463 - Annual Retail Trade Survey

Science.gov (United States)

2012-10-22

... covering annual sales, annual e- commerce sales, year-end inventories held inside and outside the United... industries, merchandise line sales, and percent of e-commerce sales to customers located outside the United... comparable classification basis, annual sales, annual e-commerce sales, purchases, total and detailed...

Annual Partnership Report, 2016

Science.gov (United States)

Wyoming Community College Commission, 2016

2016-01-01

The "Annual Partnership Report" catalogs partnerships that Wyoming community colleges established and maintained for each fiscal year. This partnership report fulfills statutory reporting requirement W.S. 21-18-202(e)(iv) which mandates the development of annual reports to the legislature on the outcomes of partnerships between colleges…

The value relevance of voluntary disclosure in the annual report

DEFF Research Database (Denmark)

Banghøj, Jesper; Plenborg, Thomas

2006-01-01

This paper examines if the level of voluntary disclosure affects the association between current returns and future earnings. Economic theory suggests that firms might find it advantageous to provide additional pieces of information (i.e., voluntary disclosure) to investors and analysts (Verrecchia...... 1983). Our results indicate that more voluntary disclosure does not improve the association between current returns and future earnings; i.e. current returns do not reflect more future earnings news. This finding raises the question whether voluntary information in the annual report contains value...... relevant information about future earnings or if investors are simply not capable of incorporating voluntary information in the firm value estimates. Key words: Disclosure, future earnings, informativeness...

A Combined Probe-Molecule, Mössbauer, Nuclear Resonance Vibrational Spectroscopy, and Density Functional Theory Approach for Evaluation of Potential Iron Active Sites in an Oxygen Reduction Reaction Catalyst

Energy Technology Data Exchange (ETDEWEB)

Kneebone, Jared L. [Univ. of Rochester, Rochester, NY (United States); Daifuku, Stephanie L. [Univ. of Rochester, Rochester, NY (United States); Kehl, Jeffrey A. [Univ. of Rochester, Rochester, NY (United States); Wu, Gang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chung, Hoon T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hu, Michael Y. [Argonne National Lab. (ANL), Argonne, IL (United States); Alp, E. Ercan [Argonne National Lab. (ANL), Argonne, IL (United States); More, Karren L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Zelenay, Piotr [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Holby, Edward F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Neidig, Michael L. [Univ. of Rochester, Rochester, NY (United States)

2017-07-06

While non-precious metal M-N-C (M = Fe or Co) catalysts have been developed that are effective for the oxygen reduction reaction in polymer electrolyte fuel cells, no consensus has yet been reached regarding the nature of the M sites in these heterogeneous catalysts that are responsible for reaction with dioxygen (O₂). While multiple studies have developed correlations between Fe distributions in as-prepared catalysts and ORR activity, the direct identification of sites reactive towards O₂ or O₂-analog molecules remains a significant challenge. In the present study, we demonstrate a new approach to identifying and characterizing potential Fe active sites in complex ORR catalysts that combines an effective probe molecule (NO_(g)) Mössbauer spectroscopy and nuclear resonance vibrational spectroscopy (NRVS) with density functional theory (DFT) calculations. Mössbauer spectroscopic studies demonstrate that NO_(g) treatment of electrochemically reduced PANI-57Fe-C leads to selective reaction with only a sub-set of the Fe species present. Nuclear resonance vibrational spectroscopic studies identified new Fe-ligand vibrations associated with the site reactive towards NO_(g). DFT calculations of vibrational properties of a small selection of previously proposed active site structures suggest that graphene zig-zag edge hosted Fe-N structures may be responsible for the observed vibrational behavior with NO_(g) probe molecules. Moreover, such sites are likely also reactive to O₂, possibly serving as the ORR active sites in the synthesized materials.

JAEA-Tokai TANDEM annual report 2005. April 1, 2005 - March 31, 2006

International Nuclear Information System (INIS)

Ishii, Tetsuro; Takeuchi, Suehiro; Oshima, Masumi; Nagame, Yuichiro; Chiba, Satoshi; Sataka, Masao; Osa, Akihiko

2006-09-01

This annual report describes research activities, which have been performed using the JAEA-Tokai tandem accelerator with the energy booster from April 1, 2005 to March 31, 2006. Summary reports of 51 papers are categorized into seven research/development fields, i.e., (1) accelerator operation and development, (2) nuclear structure, (3) nuclear reaction, (4) nuclear chemistry, (5) nuclear theory, (6) atomic physics and solid state physics, and (7) radiation effects in materials, and lists of publications, meetings, personnel and cooperative researches with universities related to these papers are contained. The 51 of presented papers are indexed individually. (J.P.N.)

Optical Spectroscopy

DEFF Research Database (Denmark)

Thyrhaug, Erling

The work presented in this thesis is broadly concerned with how complexation reactions and molecular motion can be characterized with the standard techniques in optical spectroscopy. The thesis aims to show a relatively broad range of methods for probing physico-chemical properties in fluorophore...... information about chemical equilibria, kinetics and molecular motion by monitoring changes in optical properties of the system. The five presented research projects are largely unrelated to each other both in aim and in what property is probed, however they are all connected in that they are fluorophore...... reactions by optical spectroscopy. In project 1 simple steady-state absorption and fluorescence spectroscopy is used to determine the stoichiometries and equilibrium constants in the inclusion complex formation between cyclodextrins and derivatives of the water-insoluble oligo(phenylene vinylene) in aqueous...

Single Molecule Spectroscopy of Electron Transfer

International Nuclear Information System (INIS)

Holman, Michael; Zang, Ling; Liu, Ruchuan; Adams, David M.

2009-01-01

The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

76 FR 69239 - Annual Retail Trade Survey

Science.gov (United States)

2011-11-08

... collect data covering annual sales, annual e-commerce sales, year-end inventories held inside and outside... industries, merchandise line sales, and percent of e-commerce sales to customers located outside the United... (NAICS). ARTS provides, on a comparable classification basis, annual sales, annual e-commerce sales...

Nanoscale probing of bandgap states on oxide particles using electron energy-loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Liu, Qianlang [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States); March, Katia [Laboratoire de Physique des Solides, Bâtiment 510, Université Paris-Sud, 91405 Orsay Cedex (France); Crozier, Peter A., E-mail: CROZIER@asu.edu [School for the Engineering of Matter, Transport and Energy, Arizona State University, 85287 AZ (United States)

2017-07-15

Surface and near-surface electronic states were probed with nanometer spatial resolution in MgO and TiO{sub 2} anatase nanoparticles using ultra-high energy resolution electron energy-loss spectroscopy (EELS) coupled to a scanning transmission electron microscope (STEM). This combination allows the surface electronic structure determined with spectroscopy to be correlated with nanoparticle size, morphology, facet etc. By acquiring the spectra in aloof beam mode, radiation damage to the surface can be significantly reduced while maintaining the nanometer spatial resolution. MgO and TiO{sub 2} showed very different bandgap features associated with the surface/sub-surface layer of the nanoparticles. Spectral simulations based on dielectric theory and density of states models showed that a plateau feature found in the pre-bandgap region in the spectra from (100) surfaces of 60 nm MgO nanocubes is consistent with a thin hydroxide surface layer. The spectroscopy shows that this hydroxide species gives rise to a broad filled surface state at 1.1 eV above the MgO valence band. At the surfaces of TiO{sub 2} nanoparticles, pronounced peaks were observed in the bandgap region, which could not be well fitted to defect states. In this case, the high refractive index and large particle size may make Cherenkov or guided light modes the likely causes of the peaks. - Highlights: • Bandgap states detected with aloof beam monochromated EELS on oxide nanoparticle surfaces. • Dielectric theory applied to simulate the spectra and interpret surface structure. • Density of states models also be employed to understand the surface electronic structure. • In MgO, one states associate with water species was found close to the valence band edge. • In anatase, two mid-gap states associated with point defects were found.

X-ray and γ-ray spectroscopy of solids under pressure: Annual technical progress report, October 1987-October 1988

International Nuclear Information System (INIS)

Ingalls, R.L.

1988-01-01

This report summarizes studies of various materials at high pressures by means of x-ray and α-ray absorption spectroscopy. It is to be recalled that pressure is a fundamental thermodynamic variable. In particular it enables one to control the state of the material, such as liquid or solid, insulating or conducting, para- or ferromagnetic, etc. We have developed such techniques suitable for use with synchrotron radiation such as at the Stanford Synchrotron Radiation Laboratory (SSRL). Under the subject DOE grant we have successfully continued such work. We have also renewed our Moessbauer studies

Fringes in FTIR spectroscopy revisited: understanding and modelling fringes in infrared spectroscopy of thin films.

Science.gov (United States)

Konevskikh, Tatiana; Ponossov, Arkadi; Blümel, Reinhold; Lukacs, Rozalia; Kohler, Achim

2015-06-21

The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse - CSNSM/Centre for nuclear and mass spectroscopy, Activity Report 1985-1986-1987

International Nuclear Information System (INIS)

2003-01-01

The Centre for nuclear and mass spectroscopy (CSNSM) is a CNRS (National Centre for Scientific Research) laboratory affiliated with Paris-Sud University. The CSNSM is involved in pluri-disciplinary activities covering various scientific domains: Nuclear Structure (SNO), Nuclear Astrophysics (AN), Solid State Astrophysics (AS), Solid State Physics (PS) and Chemical Physics of Irradiation. This document presents the activity of the Centre during the 1985-1986-1987 years: 1 - Teams presentation; 2 - Abstracts: On the borderline of spectroscopy; Atomic spectroscopy and low-energy low-spin nuclear structure; high-energy high-spin nuclear structure; Theories and models; Nuclear astrophysics; Accelerator-based mass spectroscopy; Solid State Physics; Study of charged particles irradiation effects in astrophysics, geophysics and material sciences; Technical developments for the RF mass spectrometer and for Obelix; Technical developments for ion beams; Technical developments in electronics and their applications; CNSM's Computer Department; Developments in cryogenics; 3 - Staff and publications

Acoustic force spectroscopy

NARCIS (Netherlands)

Sitters, G.; Kamsma, D.; Thalhammer, G.; Ritsch-Marte, M.; Peterman, E.J.G.; Wuite, G.J.L.

2015-01-01

Force spectroscopy has become an indispensable tool to unravel the structural and mechanochemical properties of biomolecules. Here we extend the force spectroscopy toolbox with an acoustic manipulation device that can exert forces from subpiconewtons to hundreds of piconewtons on thousands of

Conference summaries. Canadian Nuclear Association 29. annual conference; Canadian Nuclear Society 10. annual conference

Energy Technology Data Exchange (ETDEWEB)

NONE

1990-12-31

Separate abstracts were prepared for 15 papers from the twenty-ninth Annual Conference of the Canadian Nuclear Association. Abstracts were also prepared for the 102 papers from the tenth Annual Conference of the Canadian Nuclear Society.

Conference summaries. Canadian Nuclear Association 29. annual conference; Canadian Nuclear Society 10. annual conference

International Nuclear Information System (INIS)

1989-01-01

Separate abstracts were prepared for 15 papers from the twenty-ninth Annual Conference of the Canadian Nuclear Association. Abstracts were also prepared for the 102 papers from the tenth Annual Conference of the Canadian Nuclear Society

Annual and inter-annual variations of 6.5-day-planetary-waves in MLT observed by TIMED/SABER

Science.gov (United States)

Huang, Yingying; Li, Huijun; Li, Chongyin; Zhang, Shaodong

2017-04-01

Annual and inter-annual variations of 6.5DWs in 20-110 km, 52°S-52°N, 2002-2016 are studied by using v2.0 TIMED/SABER kinetic temperature data. Firstly, global annual variations of 6.5DW's spectral power and amplitudes are obtained. Strong wave amplitudes emerge in 30°S/N-50°S/N, and peaks in altitude separate in stratosphere (40-50 km), mesosphere (80-90 km) and the lower thermosphere (100-110 km), respectively. Their annual variations are similar in both hemispheres, but different in altitude. In 40-50 km, the annual maximums emerge mostly in winters: Dec.-Jan. in the NH and Jul.-Aug. in the SH. In MLT, annual peaks arise twice in each half of year. In 80-90 km, they're mainly in equinoctial seasons and winters: May, Aug.-Sep. and Jan. in the NH and Feb., Nov. and May in the SH. In 100-110 km, they emerge mainly in equinoctial seasons: Apr.-May and Aug.-Sep. in the NH and Feb.-Mar. and Oct.-Nov. in the SH. Then, inter-annual variations of 6.5DW amplitudes during the 14-year period are studied. Frequency spectra of monthly-mean amplitudes show that, main dynamics in long-term variations of 6.5DWs are AO and SAO in both hemispheres. Besides, QBO are visible in both hemispheres and 4-month period signals are noticed in the NH in MLT. Amplitudes of SAO, AO and QBO are obtained by bandpass filter. Their amplitudes are comparable in stratosphere and mesosphere, and QBO signals are weaker than the others in the LT. Vertical variations both of SAO and AO amplitudes are very stable. AO structures have little inter-annual changes, while inter-annual variations of SAO are significant and are related with 6.5DW. It means that annual and inter-annual variations of 6.5DW are mainly controlled by AO and SAO, respectively. Although QBO signals are weaker and their variations are less regular than AO and SAO, their phases seems to relate with inter-annual variations of 6.5DW as well.

Triangle Universities Nuclear Laboratory annual report: TUNL, XV. 1 January 1976 -- 31 December 1976

Energy Technology Data Exchange (ETDEWEB)

None

1976-01-01

Brief reports of research are presented under the following categories: neutron and fission physics, neutron polarization studies, high-resolution studies, gamma ray spectroscopy, charged-particle reactions with polarized beams, radiative capture reactions, atomic collision physics, heavy-ion reactions, applications, ion source development, accelerator development and instrumentation, computer-related developments, and nuclear theory and phenomenology. Although some data are furnished, many of these partial-page summaries are simply abstracts of published papers. Lists of publications, talks, personnel, etc., are included. (RWR)

Gutzwiller-RVB theory of high temperature superconductivity. Results from renormalized mean field theory and variational Monte Carlo calculations

International Nuclear Information System (INIS)

Edegger, B.

2007-01-01

We consider the theory of high temperature superconductivity from the viewpoint of a strongly correlated electron system. In particular, we discuss Gutzwiller projected wave functions, which incorporate strong correlations by prohibiting double occupancy in orbitals with strong on-site repulsion. After a general overview on high temperature superconductivity, we discuss Anderson's resonating valence bond (RVB) picture and its implementation by renormalized mean field theory (RMFT) and variational Monte Carlo (VMC) techniques. In the following, we present a detailed review on RMFT and VMC results with emphasis on our recent contributions. Especially, we are interested in spectral features of Gutzwiller-Bogolyubov quasiparticles obtained by extending VMC and RMFT techniques to excited states. We explicitly illustrate this method to determine the quasiparticle weight and provide a comparison with angle resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM). We conclude by summarizing recent successes and by discussing open questions, which must be solved for a thorough understanding of high temperature superconductivity by Gutzwiller projected wave functions. (orig.)

Gutzwiller-RVB theory of high temperature superconductivity. Results from renormalized mean field theory and variational Monte Carlo calculations

Energy Technology Data Exchange (ETDEWEB)

Edegger, B.

2007-08-10

We consider the theory of high temperature superconductivity from the viewpoint of a strongly correlated electron system. In particular, we discuss Gutzwiller projected wave functions, which incorporate strong correlations by prohibiting double occupancy in orbitals with strong on-site repulsion. After a general overview on high temperature superconductivity, we discuss Anderson's resonating valence bond (RVB) picture and its implementation by renormalized mean field theory (RMFT) and variational Monte Carlo (VMC) techniques. In the following, we present a detailed review on RMFT and VMC results with emphasis on our recent contributions. Especially, we are interested in spectral features of Gutzwiller-Bogolyubov quasiparticles obtained by extending VMC and RMFT techniques to excited states. We explicitly illustrate this method to determine the quasiparticle weight and provide a comparison with angle resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM). We conclude by summarizing recent successes and by discussing open questions, which must be solved for a thorough understanding of high temperature superconductivity by Gutzwiller projected wave functions. (orig.)

6th International Conference on Operator Theory

CERN Document Server

Douglas, R; Sz-Nagy, B; Voiculescu, D; Arsene, Gr

1982-01-01

The annual Operator Theory conferences in Timigoara are conceived as a means to promote cooperation and exchange of in­ formation between specialists in all areas of Operator Theory. The present volume consist of papers contributed by the partici­ pants of the 1981 Conference. Since many of these papers contain results on the invariant subspace problem or are related to the role of invariant subspaces in the study of operators or operator systems, we thought it appropiate to mention this in the title of the volume, though the "other topics" have a wide range. As in past years, special sessions concerning other fields of Functio­ nal Analysis were organized at the 1981 Conference, but contri­ butions to these sessions are not included in the present volume. The research contracts of the Department of Mathematics of INCREST with the National Council for Sciences and Technology of Romaliia provided the means for developping the research activity in Functional Analysis; these contracts constitute the generous...

77 FR 16484 - Annual Stress Test

Science.gov (United States)

2012-03-21

...-2011-0029] RIN 1557-AD58 Annual Stress Test AGENCY: Office of the Comptroller of the Currency, Treasury... billion to conduct an annual stress test and comply with certain reporting and disclosure requirements. To... conduct annual stress tests pursuant to regulations prescribed by their respective Federal primary...

28 CFR 16.208 - Annual report.

Science.gov (United States)

2010-07-01

... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Annual report. 16.208 Section 16.208 Judicial Administration DEPARTMENT OF JUSTICE PRODUCTION OR DISCLOSURE OF MATERIAL OR INFORMATION Public Observation of Parole Commission Meetings § 16.208 Annual report. The Commission shall report annually to...

Physics Physics Annual Review, 1 April 1981-31 March 1982

International Nuclear Information System (INIS)

1982-12-01

In medium-energy pion physics, considerable progress has been made in understanding the propagation and absorption of pions (deltas) in the nuclear medium. An experiment to study neutrino oscillations is being planned at LAMPF with substantial involvement from Argonne. A major effort is being devoted to the scientific and technical considerations involved in proposing to build a multi-GeV C.W. electron accelerator: GEM at Argonne. In heavy-ion physics, the superconducting linac booster is being used with increasing scientific profit. Construction of the ATLAS facility began in FY 1982 and all progress has been on schedule. The importance of the time component of the weak axial-vector current has been studied through the #betta# decay of 16 N. A precision measurement is under way of the 7 Be(p,#betta#) cross section, one of the key components in the solar neutrino anomaly. In nuclear theory, the coupled-channel code for treating heavy-ion inelastic scattering was completed and application to particular experiments began. Nuclear structure theory was applied to interpret decays of high-spin states and inelastic pion scattering. Results of particular interest were obtained in the nuclear force program where the inclusion of 3-body forces led to simultaneous improvement in the binding of 3 He and 4 He and saturation of nuclear matter. The atomic physics research consists of six experimental programs as follows: (1) dissociation and other interactions of energetic molecular ions in solid and gaseous targets; (2) electron spectroscopy with fast atomic and molecular-ion beams; (3) beam-foil research and collision dynamics of heavy ions; (4) photoionization-photoelectron research; (5) high-resolution, laser-rf spectroscopy with atomic and molecular beams; and (6) theoretical atomic physics