Stabilization of the Electron-Nuclear Spin Orientation in Quantum Dots by the Nuclear Quadrupole Interaction

Science.gov (United States)

Dzhioev, R. I.; Korenev, V. L.

2007-07-01

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Dipole and quadrupole forces exerted on atoms in laser fields: The nonperturbative approach

International Nuclear Information System (INIS)

Sindelka, Milan; Moiseyev, Nimrod; Cederbaum, Lorenz S.

2006-01-01

Manipulation of cold atoms by lasers has so far been studied solely within the framework of the conventional dipole approximation, and the atom-light interaction has been treated using low order perturbation theory. Laser control of atomic motions has been ascribed exclusively to the corresponding light-induced dipole forces. In this work, we present a general theory to derive the potential experienced by an atom in a monochromatic laser field in a context analogous to the Born-Oppenheimer approximation for molecules in the field-free case. The formulation goes beyond the dipole approximation and gives rise to the field-atom coupling potential terms which so far have not been taken into consideration in theoretical or experimental studies. Contrary to conventional approaches, our method is based upon the many electron Floquet theory and remains valid also for high intensity laser fields (i.e., for a strongly nonperturbative atom-light interaction). As an illustration of the developed theory, we investigate the trapping of cold atoms in optical lattices. We find that for some atoms for specific laser parameters, despite the absence of the dipole force, the laser trapping is still possible due to the electric quadrupole forces. Namely, we show that by using realistic laser parameters one can form a quadrupole optical lattice which is sufficiently strong to trap Ca and Na atoms

Nuclear quadrupole interactions in ferroelectric compounds of HF/sup 181/

Energy Technology Data Exchange (ETDEWEB)

Kunzler, J V

1971-01-01

Measurements of nuclear quadrupole interaction constants in perovkite-type compounds of PbHfO/sub 3/, SnhfO/sub 3/, CaHfO/sub 3/ e SrHfO/sub 3/ have been performed using the perturbed angular correlation technique. A range of fundamental frequencies from 150 to 550 Megaradians per second was determined. The variation of quadrupole constants has been discussed through the molecular orbital theory.

Stability of the coherent quadrupole oscillations excited by the beam-beam interaction

International Nuclear Information System (INIS)

Kamiya, Y.; Chao, A.W.

1983-10-01

We study the coherent quadrupole motion in the presence of beam-beam interaction, using a linear approximation to the beam-beam force. The corresponding beam-beam limit is determined by evaluating the eigenvalues of a system of linear equations describing the coherent quadrupole motion. We find that the stability of the quadrupole motions imposes severe limits on the beam current, as is the case for the dipole instability. Preliminary results of this study have appeared elsewhere

Twisted-Light-Ion Interaction: The Role of Longitudinal Fields

Science.gov (United States)

Quinteiro, G. F.; Schmidt-Kaler, Ferdinand; Schmiegelow, Christian T.

2017-12-01

The propagation of light beams is well described using the paraxial approximation, where field components along the propagation direction are usually neglected. For strongly inhomogeneous or shaped light fields, however, this approximation may fail, leading to intriguing variations of the light-matter interaction. This is the case of twisted light having opposite orbital and spin angular momenta. We compare experimental data for the excitation of a quadrupole transition in a single trapped 40Ca+ ion from Schmiegelow et al. [Nat. Commun. 7, 12998 (2016), 10.1038/ncomms12998] with a complete model where longitudinal components of the electric field are taken into account. Our model matches the experimental data and excludes by 11 standard deviations the approximation of a complete transverse field. This demonstrates the relevance of all field components for the interaction of twisted light with matter.

General quadrupole shapes in the Interacting Boson Model

International Nuclear Information System (INIS)

Leviatan, A.

1990-01-01

Characteristic attributes of nuclear quadrupole shapes are investigated within the algebraic framework of the Interacting Boson Model. For each shape the Hamiltonian is resolved into intrinsic and collective parts, normal modes are identified and intrinsic states are constructed and used to estimate transition matrix elements. Special emphasis is paid to new features (e.g. rigid triaxiality and coexisting deformed shapes) that emerge in the presence of the three-body interactions. 27 refs

Quadrupole interaction in zinc metal

International Nuclear Information System (INIS)

Vetterling, W.T.; Pound, R.V.

1977-01-01

To allow measurement of the quadrupole interaction in zinc metal, the enriched ZnO was reduced to zinc metal powder and compressed into a pill of thickness 1.4 gm/cm 2 . Sources were made by diffusing 20 mCi of 67 Ga into sintered copper pills. The transducer was based on a cylinder of PZT-4 with 1 / 2 -inch length and could cover linearly a velocity range of +-100 μ/s at 200 Hz. The multiscalar was a modified Northern model NS600, with a minimum dwell time of 20 μs, and with a 10-count buffer at the input to eliminate deadtime from memory cycling

Nuclear quadrupole interaction measurements of 19F* and 22Na* on Graphite

International Nuclear Information System (INIS)

Djoko-Surono, Th; Martin, Peter W

1996-01-01

Time differential perturbed angular distribution (TDPAD) technique has been used to investigate nuclear quadrupole interactions of 19 F * and 22 Na * in graphite. We concentrated the measurements on pseudo single crystal graphite called Highly Oriented Pyrolytic Graphite for it has an ordered structure in which the c-axes of the microcrystals aligned in a certain direction with the mosaic spread less than 1 o , while the a- and b-axes randomly oriented on a plane perpendicular to the c-axes. Interactions between quadrupole moment of 19 F * and 22 Na * with its surroundings electric field gradient were studied by detecting the γ-rays distribution, W(Θ,t). For 1 9F * we found one static interaction. The corresponding electric field gradient was V zz =3.24(19)x10 22 V/m 2 . In the case of 22 Na * we found no evidence of nuclear quadrupole interaction, however, we were able to conclude that |QV 22 | 19 bV/m 2 . Using theoretical calculation Q=0.06 barn, we find that |V zz | 20 V/m 2 . These results indicate that the value efg depend on two factors, the host crystal and the core electrons. The core electrons contribution to the total efg is considerably large

Analytical calculation of spin tunneling effect in single molecule magnet Fe8 with considering quadrupole excitation

Directory of Open Access Journals (Sweden)

Y Yousefi

2018-02-01

Full Text Available Spin tunneling effect in Single Molecule Magnet Fe8 is studied by instanton calculation technique using SU(3 generalized spin coherent state in real parameter as a trial function. For this SMM, tunnel splitting arises due to the presence of a Berry like phase in action, which causes interference between tunneling trajectories (instantons. For this SMM, it is established that the use of quadrupole excitation (g dependence changes not only the location of the quenching points, but also the number of these points. Also, these quenching points are the steps in hysteresis loops of this SMM. If dipole and quadrupole excitations in classical energy considered, the number of these steps equals to the number that obtained from experimental data.

Quantum chemical analysis explains hemagglutinin peptide-MHC Class II molecule HLA-DRβ1*0101 interactions

International Nuclear Information System (INIS)

Cardenas, Constanza; Villaveces, Jose Luis; Bohorquez, Hugo; Llanos, Eugenio; Suarez, Carlos; Obregon, Mateo; Patarroyo, Manuel Elkin

2004-01-01

We present a new method to explore interactions between peptides and major histocompatibility complex (MHC) molecules using the resultant vector of the three principal multipole terms of the electrostatic field expansion. Being that molecular interactions are driven by electrostatic interactions, we applied quantum chemistry methods to better understand variations in the electrostatic field of the MHC Class II HLA-DRβ1*0101-HA complex. Multipole terms were studied, finding strong alterations of the field in Pocket 1 of this MHC molecule, and weak variations in other pockets, with Pocket 1 >> Pocket 4 > Pocket 9 ∼ Pocket 7 > Pocket 6. Variations produced by 'ideal' amino acids and by other occupying amino acids were compared. Two types of interactions were found in all pockets: a strong unspecific one (global interaction) and a weak specific interaction (differential interaction). Interactions in Pocket 1, the dominant pocket for this allele, are driven mainly by the quadrupole term, confirming the idea that aromatic rings are important in these interactions. Multipolar analysis is in agreement with experimental results, suggesting quantum chemistry methods as an adequate methodology to understand these interactions

LHC interaction region quadrupole cryostat design

International Nuclear Information System (INIS)

Nicol, T.H.; Darve, Ch.; Huang, Y.; Page, T.M.

2002-01-01

The cryostat of a Large Hadron Collider (LHC) Interaction Region (IR) quadrupole magnet consists of all components of the inner triplet except the magnet assembly itself. It serves to support the magnet accurately and reliably within the vacuum vessel, to house all required cryogenic piping, and to insulate the cold mass from heat radiated and conducted from the environment. It must function reliably during storage, shipping and handling, normal magnet operation, quenches, and seismic excitations, and must be able to be manufactured at low cost. The major components of the cryostat are the vacuum vessel, thermal shield, multi-layer insulation system, cryogenic piping, and suspension system. The overall design of a cryostat for superconducting accelerator magnets requires consideration of fluid flow, proper selection of materials for their thermal and structural performance at both ambient and operating temperature, and knowledge of the environment to which the magnets will be subjected over the course of their expected operating lifetime. This paper describes the current LHC IR inner triplet quadrupole magnet cryostats being designed and manufactured at Fermilab as part of the US-LHC collaboration, and includes discussions on the structural and thermal considerations involved in the development of each of the major systems

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

International Nuclear Information System (INIS)

Kluepfel, Peter

2008-01-01

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

Energy Technology Data Exchange (ETDEWEB)

Kluepfel, Peter

2008-07-29

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

Quadrupole interactions of Au in Be and lattice location studies

International Nuclear Information System (INIS)

Perscheid, B.; Gayer, H.W.; Krien, K.; Freitag, K.

1978-01-01

The Moessbauer nucleus 197 Au is used as probe for quadrupole interaction (QI) studies in Be metal. The 77 keV Moessbauer level is populated by the β - decay of 197 Pt and the EC decay of 197 Hg. This fact enabled samples prepared in different ways to be studied. (Auth.)

Exotic behavior of molecules in intense laser light fields. New research directions

Energy Technology Data Exchange (ETDEWEB)

Yamanouchi, Kaoru [Tokyo Univ., Department of Chemistry, Tokyo (Japan)

2002-08-01

The recent investigation of the dynamical behavior of molecules and clusters in intense laser fields has afforded us invaluable opportunities to understand fundamentals of the interaction between molecular species and light fields as well as to manipulate molecules and their dynamical pathways by taking advantage of characteristics of coherent ultrashort laser light fields. In the present report, new directions of this rapidly growing interdisciplinary research fields called molecular science in intense laser fields are discussed by referring to our recent studies. (author)

Quadrupole interaction studies of Hg in Sb

International Nuclear Information System (INIS)

Soares, J.C.; Krien, K.; Herzog, P.; Folle, H.R.; Freitag, K.; Reuschenbach, F.; Reuschenbach, M.; Trzcinski, R.

1978-01-01

Time differential perturbed angular correlation and nuclear orientation studies of the electric quadrupole interaction for Hg in Sb have been performed. The effective field gradients at room temperature and below 0.05K have been derived. These two values are no indication for an anomalous temperature dependence of the effective field gradient for Hg in Sb. The value of the electric field gradient fits well into the systematics for Hg in other hosts. It is shown that the electronic enhancements of the field gradients are correlated to the valence of the impurities and are rather insensitive to the host properties. (orig./HPOE) [de

Molecular near-field antenna effect in resonance hyper-Raman scattering: Intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions

Energy Technology Data Exchange (ETDEWEB)

Shimada, Rintaro; Hamaguchi, Hiro-o, E-mail: hhama@nctu.edu.tw [Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 University Road, Hsinchu 30010, Taiwan (China)

2014-05-28

We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by more than 5 orders of magnitude under the presence of β-carotene. We have called this phenomenon the molecular-near field effect. Resonance HR spectra of β-carotene in benzene, deuterated benzene, cyclohexane, and deuterated cyclohexane have been measured precisely for a quantitative analysis of this effect. The assignments of the observed peaks are made by referring to the infrared, Raman, and HR spectra of neat solvents. It has been revealed that infrared active and some Raman active vibrations are active in the HR molecular near-field effect. The observed spectra in the form of difference spectra (between benzene/deuterated benzene and cyclohexane/deuterated cyclohexane) are quantitatively analyzed on the basis of the extended vibronic theory of resonance HR scattering. The theory incorporates the coupling of excited electronic states of β-carotene with the vibrations of a proximate solvent molecule through solute–solvent dipole–dipole and dipole–quadrupole interactions. It is shown that the infrared active modes arise from the dipole–dipole interaction, whereas Raman active modes from the dipole–quadrupole interaction. It is also shown that vibrations that give strongly polarized Raman bands are weak in the HR molecular near-field effect. The observed solvent HR spectra are simulated with the help of quantum chemical calculations for various orientations and distances of a solvent molecule with respect to the solute. The observed spectra are best simulated with random orientations of the solvent molecule at an intermolecular distance of 10 Å.

Implementation of $ab$ $initio$ perturbed angular correlation observables for analysis of fluctuating quadrupole interactions

CERN Document Server

Barbosa, Marcelo

A review about the nuclear properties, namely the nuclear moments (magnetic dipole moment and electric quadrupole moment) and their interaction with electromagnetic fields external to the nucleus (hyperfine interactions), as well as the angular distribution of radiation produced by $\\gamma$-decay, is presented. A detailed description about the theory of Perturbed Angular Correlations was done, including the comparison between $\\gamma-\\gamma$- correlations and $e^{-}- \\gamma$ correlations. For dynamic nuclear interactions, an introduction to the theory of stochastic states in PAC was performed. We focused on ab-initio implementation of observables for analyzing fluctuating quadrupole hyperfine interactions on time dependent perturbed angular correlations experiments. The development of computacional codes solving the full problem, adapted to fit data obtained on single crystals or polycrystals for two-state transient fields with any axial symmetry and orientation was the main purpose of this work. The final pa...

Analytical calculation of spin tunneling effect in single molecule magnet Fe8 with considering quadrupole excitation

OpenAIRE

Y Yousefi; H Fakhari; K Muminov; M R Benam

2018-01-01

Spin tunneling effect in Single Molecule Magnet Fe8 is studied by instanton calculation technique using SU(3) generalized spin coherent state in real parameter as a trial function. For this SMM, tunnel splitting arises due to the presence of a Berry like phase in action, which causes interference between tunneling trajectories (instantons). For this SMM, it is established that the use of quadrupole excitation (g dependence) changes not only the location of the quenching points, but also the n...

Free and binary rotation of polyatomic molecules

International Nuclear Information System (INIS)

Konyukhov, V K

2003-01-01

A modification of the quantum-mechanical theory of rotation of polyatomic molecules (binary rotation) is proposed, which is based on the algebra and representations of the SO(4) group and allows the introduction of the concept of parity, as in atomic spectroscopy. It is shown that, if an asymmetric top molecule performing binary rotation finds itself in a spatially inhomogeneous electric field, its rotational levels acquire the additional energy due to the quadrupole moment. The existence of the rotational states of polyatomic molecules that cannot transfer to the free rotation state is predicted. In particular, the spin isomers of a water molecule, which corresponds to such states, can have different absolute values of the adsorption energy due to the quadrupole interaction of the molecule with a surface. The difference in the adsorption energies allows one to explain qualitatively the behaviour of the ortho- and para-molecules of water upon their adsorption on the surface of solids in accordance with experimental data. (laser applications and other topics in quantum electronics)

High-Resolution State-Selected Ion-Molecule Reaction Studies Using Pulsed Field Ionization Photoelectron-Secondary Ion Coincidence Method

National Research Council Canada - National Science Library

Qian, X

2003-01-01

We have developed an octopole-quadrupole photoionization apparatus at the Advanced Light Source for absolute integral cross-section measurements of rovibrational-state-selected ion-molecule reactions...

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

Energy Technology Data Exchange (ETDEWEB)

Kluepfel, Peter

2008-07-29

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

The interaction of low-energy electrons with fructose molecules

Science.gov (United States)

Chernyshova, I. V.; Kontrosh, E. E.; Markush, P. P.; Shpenik, O. B.

2017-11-01

Using a hypocycloidal electronic spectrometer, the interactions of low energy electrons (0-8.50 eV) with fructose molecules, namely, electron scattering and dissociative attachment, are studied. The results of these studies showed that the fragmentation of fructose molecules occurs effectively even at an electron energy close to zero. In the total electron-scattering cross section by molecules, resonance features (at energies 3.10 and 5.00 eV) were first observed near the formation thresholds of light ion fragments OH- and H-. The correlation of the features observed in the cross sections of electron scattering and dissociative attachment is analyzed.

NMR study of electric quadrupole interactions in GdCo2

International Nuclear Information System (INIS)

Barata, A.C.; Guimaraes, A.P.

1984-01-01

Quadrupole oscillations have been observed with 59 Co pulsed NMR in the intermetallic compound GdCo 2 . From theses oscillations the nuclear electric quadrupoles interaction (EQI) has been studied as a function of temperature in the range 4K-312K. The value measured at 4K, ν sub(Q)=672 +-3 KHz, is the largest so far reported for the cobalt EQI in the RCo 2 intermetallics. The EQI decreases with increasing temperature, reaching 432 +- 10 KHz at 312K. The amplitude of the oscillations tends to decrease with temperature, being also dependent on the easy direction of magnetization of the compound. Thus, above 200K, as the direction of magnetization changes, large oscillations are again visible in the satellite line; the main line shows no oscillations in this range. The observed temperature dependence of the EQI is roughly linear, as found in other transition metal systems. (Author) [pt

Electron-excited molecule interactions

International Nuclear Information System (INIS)

Christophorou, L.G.; Tennessee Univ., Knoxville, TN

1991-01-01

In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10 6 to 10 7 times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs

Two-pulse and stimulated nuclear-quadrupole-resonance echoes in YAlO3:Pr3+

International Nuclear Information System (INIS)

Erickson, L.E.

1991-01-01

The dephasing of trivalent praseodymium dilute in yttrium aluminum oxide (YAlO 3 ) in the ground electronic state 3 H 4 state is evaluated using an optically detected method, to measure two-rf-pulse- and three-rf-pulse-stimulated nuclear quadrupole echoes. The magnitude of the echo is obtained by detecting the weak Raman optical field generated by the interaction of the magnetic moment of the echo and a light beam resonant with the 3 H 4 (0 cm 1 ) to 1 D 2 (16 374 cm -1 ) optical transition. This same light beam is used as an optical pump (37-ms duration) prior the rf-pulse sequence to increase the population difference of the hyperfine energy levels, thereby improving the echo signal. The light is turned off 9 ms before the rf-pulse sequence and remains off until the echo to avoid optical-pumping effects on the measured nuclear-quadrupole-resonance (NQR) echo lifetime. The dephasing time T 2 from two-pulse nuclear-quadrupole-echo measurement is found to be 366±29 μs

Manipulating ultracold polar molecules with microwave radiation: The influence of hyperfine structure

International Nuclear Information System (INIS)

Aldegunde, J.; Hutson, Jeremy M.; Ran Hong

2009-01-01

We calculate the microwave spectra of ultracold 40 K 87 Rb alkali-metal dimers, including hyperfine interactions and in the presence of electric and magnetic fields. We show that microwave transitions may be used to transfer molecules between different hyperfine states, but only because of the presence of nuclear quadrupole interactions. Hyperfine splittings may also complicate the use of ultracold molecules for quantum computing. The spectrum of molecules oriented in electric fields may be simplified dramatically by applying a simultaneous magnetic field.

Development and manufacturing of a Nb$_{3}$Sn quadrupole magnet Model at CEA/Saclay for TESLA Interaction Region

CERN Document Server

Durante, Maria; Fratini, M; Leboeuf, D; Segreti, M; Védrine, Pierre; 10.1109/TASC.2004.829129

2004-01-01

One possible application of Nb/sub 3/Sn, whose superconducting properties far exceed those of NbTi, is the fabrication of short and powerful quadrupole magnets for the interaction regions of large particle accelerators. In some projects, as in the future linear collider TESLA, the quadrupole magnets are inside the detector solenoid and must operate in its background field. This situation gives singular Lorentz force distribution in the ends of the magnet. To learn about Nb/sub 3/Sn technology, evaluate fabrication techniques and test the interaction with a solenoidal field, DAPNIA /SACM at CEA/Saclay has started the manufacturing of a 1-m-long, 56- mm-single-aperture quadrupole magnet model. The model relies on the same coil geometry as the LHC arc quadrupole magnets, but has no iron yoke. It will produce a nominal field gradient of 211 T/m at 11,870 A. The coils are wound from Rutherford-type cables insulated with glass fiber tape, before being heat-treated and vacuum-impregnated with epoxy resin. Laminated,...

Electron-molecule interactions and their applications

CERN Document Server

Christophorou, L G

1984-01-01

Electron-Molecule Interactions and Their Applications, Volume 2 provides a balanced and comprehensive account of electron-molecule interactions in dilute and dense gases and liquid media. This book consists of six chapters. Chapter 1 deals with electron transfer reactions, while Chapter 2 discusses electron-molecular positive-ion recombination. The electron motion in high-pressure gases and electron-molecule interactions from single- to multiple-collision conditions is deliberated in Chapter 3. In Chapter 4, knowledge on electron-molecule interactions in gases is linked to that on similar proc

Coherent interaction of single molecules and plasmonic nanowires

Science.gov (United States)

Gerhardt, Ilja; Grotz, Bernhard; Siyushev, Petr; Wrachtrup, Jörg

2017-09-01

Quantum plasmonics opens the option to integrate complex quantum optical circuitry onto chip scale devices. In the past, often external light sources were used and nonclassical light was coupled in and out of plasmonic structures, such as hole arrays or waveguide structures. Another option to launch single plasmonic excitations is the coupling of single emitters in the direct proximity of, e.g., a silver or gold nanostructure. Here, we present our attempts to integrate the research of single emitters with wet-chemically grown silver nanowires. The emitters of choice are single organic dye molecules under cryogenic conditions, which are known to act as high-brightness and extremely narrow-band single photon sources. Another advantage is their high optical nonlinearity, such that they might mediate photon-photon interactions on the nanoscale. We report on the coupling of a single molecule fluorescence emission through the wire over the length of several wavelengths. The transmission of coherently emitted photons is proven by an extinction type experiment. As for influencing the spectral properties of a single emitter, we are able to show a remote change of the line-width of a single terrylene molecule, which is in close proximity to the nanowire.

Quadrupole moments of hadrons

International Nuclear Information System (INIS)

Krivoruchenko, M.I.

1985-01-01

In chiral bag model an expression is obtained for the quark wave functions with account of color and pion interaction of quarks. The quadrupole moments of nonstrange hadrons are calculated. Quadrupole moment of nucleon isobar is found to be Q(Δ)=-6.3x10 -28 esub(Δ)(cm)sup(2). Fredictions of the chiral bag model are in strong disagreement with the non-relativistic quark model

Design and field measurement of the BEPC-II interaction region dual-aperture quadrupoles

International Nuclear Information System (INIS)

Yin, Z.S.; Wu, Y.Z.; Zhang, J.F.; Chen, W.; Li, Y.J.; Li, L.; Hou, R.; Yin, B.G.; Sun, X.J.; Ren, F.L.; Wang, F.A.; Chen, F.S.; Yu, C.H.; Chen, C.

2007-01-01

With the Beijing Electron Positron Collider upgrade project (BEPC-II), two dual-aperture septum-style quadrupole magnets are used in the interaction region for the final focusing of the electron and positron beams. The BEPC-II lattice design calls for the same high quality integral quadrupole field and large good field region in both apertures for each magnet. Two-dimensional contour optimization and pole-end chamfer iteration are used to minimize the systematic harmonic errors. Unexpected non-systematic errors induced by the unsymmetrical structure and the manufacturing errors are compensated with the pole-end shimming. Magnet measurements with rotating coils are performed to guide and confirm the magnet design. This paper discusses the design consideration, optimizing procedure and measurement results of these dual-aperture magnets

Beam-based alignment of C-shaped quadrupole magnets

International Nuclear Information System (INIS)

Portmann, G.; Robin, D.

1998-06-01

Many storage rings have implemented a method of finding the positional offset between the electrical center of the beam position monitors (BPM) and the magnetic center of the adjacent quadrupole magnets. The algorithm for accomplishing this is usually based on modulating the current in the quadrupole magnet and finding the beam position that minimizes the orbit perturbation. When the quadrupole magnet is C-shaped, as it is for many light sources, the modulation method can produce an erroneous measurement of the magnetic center in the horizontal plane. When the current in a C-shaped quadrupole is changed, there is an additional dipole component in the vertical field. Due to nonlinearities in the hysteresis cycle of the C-magnet geometry, the beam-based alignment technique at the Advanced Light Source (ALS) deviated horizontally by .5 mm from the actual magnetic center. By modifying the technique, the offsets were measured to an accuracy of better than 50 microm

Stability considerations of permanent magnet quadrupoles for CESR phase-III upgrade

Directory of Open Access Journals (Sweden)

W. Lou

1998-06-01

Full Text Available The Cornell electron storage ring (CESR phase-III upgrade plan includes very strong permanent magnet quadrupoles in front of the cryostat for the superconducting quadrupoles and physically as close as possible to the interaction point. Together with the superconducting quadrupoles, they provide tighter vertical focusing at the interaction point. The quadrupoles are built with neodymium iron boron (NdFeB material and operate inside the 15 kG solenoid field. Requirements on the field quality and stability of these quadrupoles are discussed and test results are presented.

Quadrupole moments measured by nuclear orientation

International Nuclear Information System (INIS)

Bouchta, H.

1985-01-01

Quadrupole interactions between the nuclei and solids have been studied with the low temperature nuclear orientation technique. The first series of measurements have been effected on the orientation of 195H g m and 197 Hg m , long lived daughter states in the 195 Au and 197 Au decay. The lifetimes of these states are of the same order as the spin-lattice relaxation time. The reorientation of the intermediate states has been taken into account extending the dipole relaxation mechanism to non-equidistant relaxing substates. The experimental nuclear quadrupole moments, thus deduced are slightly different from theoretical estimations. A new high precision method accessible to levels with 100 ns to 1 m lifetimes, the level mixing resonance on oriented nuclei (LMR/ON) has been elaborated in collaboration with LEUVEN university (Belgium). In this technique the nucleus is subject to a non colinear electric plus magnetic combined interaction. The quadrupole interaction of Ag[7/2, = 40 s] isomer with the electric field gradient in zinc has been established to better than 1% observing its level mixing resonances; and also the ratio of electric field gradients of silver in zinc to cadmium. The electric quadrupole moments of 106 Ag m , 107 Ag m and 109 Ag m have been established combining the level mixing resonances with classical low temperature quadrupole alignment measurements. The experimental values are in good agreement with theoretical calculations based on a semi-microscopical model using Yukawa potential [fr

Magnetic Measurement Results of the LCLS Undulator Quadrupoles

Energy Technology Data Exchange (ETDEWEB)

Anderson, Scott; Caban, Keith; Nuhn, Heinz-Dieter; Reese, Ed; Wolf, Zachary; /SLAC

2011-08-18

This note details the magnetic measurements and the magnetic center fiducializations that were performed on all of the thirty-six LCLS undulator quadrupoles. Temperature rise, standardization reproducibility, vacuum chamber effects and magnetic center reproducibility measurements are also presented. The Linac Coherent Light Source (LCLS) undulator beam line has 33 girders, each with a LCLS undulator quadrupole which focuses and steers the beam through the beam line. Each quadrupole has main quadrupole coils, as well as separate horizontal and vertical trim coils. Thirty-six quadrupoles, thirty-three installed and three spares were, manufactured for the LCLS undulator system and all were measured to confirm that they met requirement specifications for integrated gradient, harmonics and for magnetic center shifts after current changes. The horizontal and vertical dipole trims of each quadrupole were similarly characterized. Each quadrupole was also fiducialized to its magnetic center. All characterizing measurements on the undulator quads were performed with their mirror plates on and after a standardization of three cycles from -6 to +6 to -6 amps. Since the undulator quadrupoles could be used as a focusing or defocusing magnet depending on their location, all quadrupoles were characterized as focusing and as defocusing quadrupoles. A subset of the undulator quadrupoles were used to verify that the undulator quadrupole design met specifications for temperature rise, standardization reproducibility and magnetic center reproducibility after splitting. The effects of the mirror plates on the undulator quadrupoles were also measured.

DNMR theory for ND+4ion. Pt. 1. Tunneling effects and first order approximations in quadrupole interaction

International Nuclear Information System (INIS)

Blicharski, J.S.; Lalowicz, Z.T.; Sobol, W.

1978-01-01

This work presents results of the calculations of shape of deuteron nuclear magnetic resonance for ND + 4 ion. Tunneling effect and quadrupole interaction influence considerably the line shape. (S.B.)

Development of a high gradient quadrupole for the LHC Interaction Regions

International Nuclear Information System (INIS)

Bossert, R.; Feher, S.; Gourlay, S.A.

1997-04-01

A collaboration of Fermilab, Lawrence Berkeley National Laboratory and Brookhaven National Laboratory is engaged in the design of a high gradient quadrupole suitable for use in the LHC interaction regions. The cold iron design incorporates a two-layer, cos(2θ) coil geometry with a 70 mm aperture operating in superfluid helium. This paper summarizes the progress on a magnetic, mechanical and thermal design that meets the requirements of maximum gradient above 250 T/m, high field quality and provision for adequate cooling in a high radiation environment

Design of a High Gradient Quadrupole for the LHC Interaction Regions

International Nuclear Information System (INIS)

Bossert, R.; Gourlay, S.A.; Heger, T.; Huang, Y.; Kerby, J.; Lamm, M.J.; Limon, P.J.; Mazur, P.O.; Nobrega, F.; Ozelis, J.P.; Sabbi, G.; Strait, J.; Zlobin, A.V.; Caspi, S.; Dell'orco, D.; McInturff, A.D.; Scanlan, R.M.; Van Oort, J.M.; Gupta, R.C.

1997-03-01

A collaboration of Fermilab, Lawrence Berkeley National Laboratory and Brookhaven National Laboratory is currently engaged in the design of a high gradient quadrupole suitable for use in the LHC interaction regions. The cold iron design incorporates a two-shell, cos2θ coil geometry with a 70 mm aperture. This paper summarizes the progress on a magnetic and mechanical design that meets the requirements of maximum gradient ≥250 T/m, operation at 1.8K, high field quality and provision for adequate cooling in a high radiation environment

Measurement of the quadrupole moments of the strongly deformed nuclei 18173Ta108 and 18375Re108 by hyperfine interaction in metals

International Nuclear Information System (INIS)

Netz, G.

1974-01-01

The quadrupole moments of two single particle proton states were measured in the strongly deformed nuclei region. Both measurements are independent of model because the field gradient is known in a rhenium lattice as well as at the nucleus site of a rhenium atom and also at the nucleus site of an incorporated tantalum atom. The quadrupole moments could thus be directly extracted from the quadrupole interaction frequency, the product of quadrupole moment and field gradient. For the 482 keV state (I = 5/2 + ) in 181 73 Ta 108 one obtains a quadrupole moment of: Q (5/2) = 2.5 +- 0.2 barn. For the 496 keV state (I = 9/2 - ) in 183 75 Re 108 , a quadrupole moment of: Q (0/2) = 3.6 +- 0.4 barn is found. This value agrees well with other experimental data within the framework of the collective model. (orig./LH) [de

The beam based alignment technique for the measurements of beam position monitors offsets and beam offsets from quadrupoles in the Pohang Light Source

International Nuclear Information System (INIS)

Kim, K.H.; Huang, J.Y.; Ko, I.S.

1999-01-01

The beam based alignment (BBA) technique is applied to the 2-GeV storage ring of the Pohang Light Source to measure the offsets of beam position monitors. This measurement is particularly necessary for beam position monitors (BPMs) plugged into a long (∼10 m) aluminum chamber, since the mechanical deformation of the vacuum chamber is experienced after repeated heating for the outgassing process, and the BPM positions are changed accordingly. A part of the excitation current of each quadrupole magnet is shunted through an electronic shunt circuit. Then, the closed orbit receives a perturbation due to the current reduction. Using two quadrupole magnets, we can measure the offset of each BPM. Also, the BBA technique is applied to measure the beam offsets from the center of quadrupole magnets, and gives information to the survey team about which quadrupole magnets should be aligned mostly. In this process, we introduce the merit function to reduce various errors such as BPM characteristic changes and the lattice imperfection. By minimizing the merit function, we can get the beam offset as the maximized expectation value. This paper presents the BBA technique used and experimental results taken from the 2-GeV Pohang Light Source (PLS) storage ring. When the BPM offset is measured, it is observed that a 3% of the shunt current is suitable. (author)

Power supplies for the injector synchrotron quadrupoles and sextupoles

International Nuclear Information System (INIS)

Fathizadeh, M.

1995-01-01

This light source note will describe the power supplies for the injector synchrotron quadrupole and sextupole magnets. The injector synchrotron has two families of quadrupole magnets. Each family consists of 40 quadrupole magnets connected in series. These magnets are energized by two phase-controlled, 12-pulse power supplies. Therefore, each power supply will be rated to deliver the necessary power to only 40 quadrupole magnets. The two families of sextupole magnets in the injector synchrotron each consists of 32 sextupole magnets connected in series, powered by a phase-controlled power supply. Thus, each power supply shall be capable of delivering power to only 32 sextupole magnets

Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2.

Science.gov (United States)

Berg, Matthias; Accardi, Antonio; Paulus, Beate; Schmidt, Burkhard

2014-08-21

The present work is concerned with the weak interactions between hydrogen and halogen molecules, i.e., the interactions of pairs H2-X2 with X = F, Cl, Br, which are dominated by dispersion and quadrupole-quadrupole forces. The global minimum of the four-dimensional (4D) coupled cluster with singles and doubles and perturbative triples (CCSD(T)) pair potentials is always a T shaped structure where H2 acts as the hat of the T, with well depths (De) of 1.3, 2.4, and 3.1 kJ/mol for F2, Cl2, and Br2, respectively. MP2/AVQZ results, in reasonable agreement with CCSD(T) results extrapolated to the basis set limit, are used for detailed scans of the potentials. Due to the large difference in the rotational constants of the monomers, in the adiabatic approximation, one can solve the rotational Schrödinger equation for H2 in the potential of the X2 molecule. This yields effective two-dimensional rotationally adiabatic potential energy surfaces where pH2 and oH2 are point-like particles. These potentials for the H2-X2 complexes have global and local minima for effective linear and T-shaped complexes, respectively, which are separated by 0.4-1.0 kJ/mol, where oH2 binds stronger than pH2 to X2, due to higher alignment to minima structures of the 4D-pair potential. Further, we provide fits of an analytical function to the rotationally adiabatic potentials.

The effect of quadrupole force to the spectra of nuclei in the f7/2 shell

International Nuclear Information System (INIS)

Zhang Qingying

1992-01-01

The effect of quadrupole force on the spectra of nuclei in the f 7/2 shell is tested. The nuclear spectra are calculated by using the surface delta interaction plus quadrupole interaction and the modified surface delta interaction respectively. The results calculated with the former are much better than those with the latter, the role of the isospin modified term in the modified surface delta interaction can be substituted by the quadrupole interaction term. It is also shown that the effect of quadrupole interaction in the f 7/2 shell is important although the quadrupole deformations of nuclei in this region are not large

Experimental studies of laser-generated translationally hot atoms and molecules

International Nuclear Information System (INIS)

Cousins, L.M.

1989-01-01

An important determinant of the outcome of a chemical interaction is the relative translational energy of the partners. This thesis focuses on the generation of translationally energetic atoms and molecules and the role of translational energy in chemical interactions. One set of studies examines the competitive pathways of reactions and energy transfer in hyperthermal collisions of fast H or D atoms with HF. The vibrational excitation of HF or DF is measured using a time- and wavelength-resolved infrared emission technique. The results suggest that different collision geometries can lead to markedly different mechanisms for vibrational excitation. Another set of experiments is performed with a goal to generate a repetitively pulsed source of molecules or atoms with translational energies in the 0.1-10 eV range. A pulsed UV laser is used to excite a molecular film, vaporizing a number of molecules near the surface of the film. The composition and velocity of these molecules are measured by their time-of-flight to a quadrupole mass spectrometer. Kinetic energies in the range of 0.1-10 eV are observed; the energies are continuously variable and the molecules can be repetitively and reproducibly generated. To establish the dynamics of the vaporization, the internal distributions of fast 0.1-0.7 eV NO molecules are measured using a laser multiphoton detection technique. These studies indicate that the translationally hot molecules are ejected rotationally cold, i.e. typically with only 3% of the energy in rotational excitation. The large disequilibrium between translation and rotation suggests that the vaporization occurs by a transient, nonequilibrium heating mechanism coupled with an adiabatic expansion. The result is additionally promising in light of the desire to produce fast beams of molecules with characterizable and narrow internal energy distributions

Light-Induced Switching of Tunable Single-Molecule Junctions

KAUST Repository

Sendler, Torsten; Luka-Guth, Katharina; Wieser, Matthias; Lokamani; Wolf, Jannic Sebastian; Helm, Manfred; Gemming, Sibylle; Kerbusch, Jochen; Scheer, Elke; Huhn, Thomas; Erbe, Artur

2015-01-01

A major goal of molecular electronics is the development and implementation of devices such as single-molecular switches. Here, measurements are presented that show the controlled in situ switching of diarylethene molecules from their nonconductive to conductive state in contact to gold nanoelectrodes via controlled light irradiation. Both the conductance and the quantum yield for switching of these molecules are within a range making the molecules suitable for actual devices. The conductance of the molecular junctions in the opened and closed states is characterized and the molecular level E 0, which dominates the current transport in the closed state, and its level broadening Γ are identified. The obtained results show a clear light-induced ring forming isomerization of the single-molecule junctions. Electron withdrawing side-groups lead to a reduction of conductance, but do not influence the efficiency of the switching mechanism. Quantum chemical calculations of the light-induced switching processes correlate these observations with the fundamentally different low-lying electronic states of the opened and closed forms and their comparably small modification by electron-withdrawing substituents. This full characterization of a molecular switch operated in a molecular junction is an important step toward the development of real molecular electronics devices.

Light-Induced Switching of Tunable Single-Molecule Junctions

KAUST Repository

Sendler, Torsten

2015-04-16

A major goal of molecular electronics is the development and implementation of devices such as single-molecular switches. Here, measurements are presented that show the controlled in situ switching of diarylethene molecules from their nonconductive to conductive state in contact to gold nanoelectrodes via controlled light irradiation. Both the conductance and the quantum yield for switching of these molecules are within a range making the molecules suitable for actual devices. The conductance of the molecular junctions in the opened and closed states is characterized and the molecular level E 0, which dominates the current transport in the closed state, and its level broadening Γ are identified. The obtained results show a clear light-induced ring forming isomerization of the single-molecule junctions. Electron withdrawing side-groups lead to a reduction of conductance, but do not influence the efficiency of the switching mechanism. Quantum chemical calculations of the light-induced switching processes correlate these observations with the fundamentally different low-lying electronic states of the opened and closed forms and their comparably small modification by electron-withdrawing substituents. This full characterization of a molecular switch operated in a molecular junction is an important step toward the development of real molecular electronics devices.

Field measurement of a Fermilab-built full scale prototype quadrupole magnet for the LHC interaction regions

CERN Document Server

Bossert, R; Di Marco, J; Fehér, S; Glass, H; Kerby, J S; Lamm, M J; Nobrega, A; Nicol, T H; Ogitsu, T; Orris, D; Page, T; Rabehl, Roger Jon; Sabbi, G L; Schlabach, P; Strait, J B; Sylvester, C D; Tartaglia, M; Tompkins, J C; Velev, G V; Zlobin, A V

2002-01-01

Superconducting low-beta quadrupole magnets for the interaction regions of the Large Hadron Collider have been developed by the US- LHC Accelerator Project. These 70 mm bore 5.5 m long quadrupoles are intended to operate in superfluid helium at 1.9 K with a nominal field gradient of 215 T/m. Following a series of 2 m long models, a full scale cryostated cold mass has been fabricated and cold tested at Fermilab. Magnetic field measurements of the prototype, including determination of the field axis using a single stretched wire, have been performed. These measurements and comparisons with results from the model magnets as well as field quality and alignment requirements are reported in this paper. (8 refs).

The role of the ion-molecule and molecule-molecule interactions in the formation of the two-ion average force interaction potential

CERN Document Server

Ajrian, E A; Sidorenko, S N

2002-01-01

The effect of the ion-molecule and intermolecular interactions on the formation of inter-ion average force potentials is investigated within the framework of a classical ion-dipole model of electrolyte solutions. These potentials are shown to possess the Coulomb asymptotics at large distances while in the region of mean distances they reveal creation and disintegration of solvent-shared ion pairs. The calculation results provide a qualitatively authentic physical picture which is experimentally observed in strong electrolytes solutions. In particular, an increased interaction between an ion and a molecule enhances formation of ion pairs in which the ions are separated by one solvent molecule

Quasiparticle Approach to Molecules Interacting with Quantum Solvents.

Science.gov (United States)

Lemeshko, Mikhail

2017-03-03

Understanding the behavior of molecules interacting with superfluid helium represents a formidable challenge and, in general, requires approaches relying on large-scale numerical simulations. Here, we demonstrate that experimental data collected over the last 20 years provide evidence that molecules immersed in superfluid helium form recently predicted angulon quasiparticles [Phys. Rev. Lett. 114, 203001 (2015)PRLTAO0031-900710.1103/PhysRevLett.114.203001]. Most important, casting the many-body problem in terms of angulons amounts to a drastic simplification and yields effective molecular moments of inertia as straightforward analytic solutions of a simple microscopic Hamiltonian. The outcome of the angulon theory is in good agreement with experiment for a broad range of molecular impurities, from heavy to medium-mass to light species. These results pave the way to understanding molecular rotation in liquid and crystalline phases in terms of the angulon quasiparticle.

The quadrupole moment and strong interaction parameters from muonic and pionic X-ray studies of 237Np

International Nuclear Information System (INIS)

Laat, C.T.A.M. de; Taal, A.; Duinker, W.; Konijn, J.; Petitjean, C.; Reist, H.W.; Mueller, W.; Commission of the European Communities, Geel

1987-01-01

The X-ray spectrum of muonic and pionic 237 Np has been investigated with muons and pions stopped in a NpO 2 target. The nuclear spectroscopic quadrupole moment was determined to be Q=3.886±0.006 b from the splittings of the muonic 5g→4f hyperfine complexes. The B(E2)↓-values for the first and second excited states were evaluated as 3.17±0.08 and 2.77±0.10 e 2 b 2 , respectively. A comparison between the muonic and pionic 5g→4f hyperfine complexes yields the strong interaction parameter for the pionic 4f state. For the first time a change of sign as function of Z for the strong interaction quadrupole shift ε 2 (4f) has been observed. The standard optical model predictions agree reasonably well with the measured strong interaction monopole shift, ε 0 (4f), and width, Γ 0 (4f), while they disagree with the experimental value for ε 2 . A stronger s-wave repulsion in the optical potential could explain this effect. (orig.)

Measurements of quadrupole interaction frequencies of long-lived isomers with the level mixing spectroscopy (LEMS) method

International Nuclear Information System (INIS)

Neyens, G.; Nouwen, R.; S'heeren, G.; Bergh, M. van den; Coussement, R.

1993-01-01

The level mixing spectroscopy (LEMS) method has proven to be a very useful method to determine the quadrupole interaction frequency of an isomer in a solid host. Especially in the 'difficult' cases, e.g. when the isomeric lifetime is very long or its spin is very high, the method yields valuable information which is not accessible with other methods (such as TDPAD). Since the development of the method some years ago, many experiments have been performed on high spin isomers in the lead region. The static quadrupole moment of isomers with lifetimes ranging from 20 ns up to 13 ms and spins up to 65/2h have been determined in neutron deficient isotopes of Bi, At, Fr and Ra. (orig.)

Quadrupole collective dynamics from energy density functionals: Collective Hamiltonian and the interacting boson model

International Nuclear Information System (INIS)

Nomura, K.; Vretenar, D.; Niksic, T.; Otsuka, T.; Shimizu, N.

2011-01-01

Microscopic energy density functionals have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications, this framework has to be extended to account for collective correlations related to restoration of symmetries broken by the static mean field, and for fluctuations of collective variables. In this paper, we compare two approaches to five-dimensional quadrupole dynamics: the collective Hamiltonian for quadrupole vibrations and rotations and the interacting boson model (IBM). The two models are compared in a study of the evolution of nonaxial shapes in Pt isotopes. Starting from the binding energy surfaces of 192,194,196 Pt, calculated with a microscopic energy density functional, we analyze the resulting low-energy collective spectra obtained from the collective Hamiltonian, and the corresponding IBM Hamiltonian. The calculated excitation spectra and transition probabilities for the ground-state bands and the γ-vibration bands are compared to the corresponding sequences of experimental states.

Global study of quadrupole correlation effects

International Nuclear Information System (INIS)

Bender, M.; Bertsch, G.F.; Heenen, P.-H.

2006-01-01

We discuss the systematics of ground-state quadrupole correlations of binding energies and mean-square charge radii for all even-even nuclei, from 16 O up to the superheavies, for which data are available. To that aim we calculate their correlated J=0 ground state by means of the angular-momentum and particle-number projected generator coordinate method, using the axial mass quadrupole moment as the generator coordinate and self-consistent mean-field states restricted only by axial, parity, and time-reversal symmetries. The calculation is performed within the framework of a nonrelativistic self-consistent mean-field model by use of the same Skyrme interaction SLy4 and to a density-dependent pairing force to generate the mean-field configurations and to mix them. These are the main conclusions of our study: (i) The quadrupole correlation energy varies between a few 100 keV and about 5.5 MeV. It is affected by shell closures, but varies only slightly with mass and asymmetry. (ii) Projection on angular momentum J=0 provides the major part of the energy gain of up to about 4 MeV; all nuclei in the study, including doubly magic ones, gain energy by deformation. (iii) The mixing of projected states with different intrinsic axial deformations adds a few 100 keV up to 1.5 MeV to the correlation energy. (iv) Typically nuclei below mass A≤60 have a larger correlation energy than static deformation energy whereas the heavier deformed nuclei have larger static deformation energy than correlation energy. (v) Inclusion of the quadrupole correlation energy improves the description of mass systematics, particularly around shell closures, and of differential quantities, namely two-nucleon separation energies and two-nucleon gaps. The correlation energy provides an explanation of 'mutually enhanced magicity'. (vi) The correlation energy tends to decrease the shell effect on binding energies around magic numbers, but the magnitude of the suppression is not large enough to explain

Polymer and small molecule based hybrid light source

Science.gov (United States)

Choong, Vi-En; Choulis, Stelios; Krummacher, Benjamin Claus; Mathai, Mathew; So, Franky

2010-03-16

An organic electroluminescent device, includes: a substrate; a hole-injecting electrode (anode) coated over the substrate; a hole injection layer coated over the anode; a hole transporting layer coated over the hole injection layer; a polymer based light emitting layer, coated over the hole transporting layer; a small molecule based light emitting layer, thermally evaporated over the polymer based light emitting layer; and an electron-injecting electrode (cathode) deposited over the electroluminescent polymer layer.

Determination of nuclear quadrupole moments – An example of the synergy of ab initio calculations and microwave spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kellö, Vladimir [Department of Physical Chemistry, Comenius University, SK-842 15 Bratislava (Slovakia)

2015-01-22

Highly correlated scalar relativistic calculations of electric field gradients at nuclei in diatomic molecules in combination with accurate nuclear quadrupole coupling constants obtained from microwave spectroscopy are used for determination of nuclear quadrupole moments.

Electric quadrupole interaction in cubic BCC α-Fe

International Nuclear Information System (INIS)

Błachowski, A.; Komędera, K.; Ruebenbauer, K.; Cios, G.; Żukrowski, J.; Górnicki, R.

2016-01-01

Mössbauer transmission spectra for the 14.41-keV resonant line in "5"7Fe have been collected at room temperature by using "5"7Co(Rh) commercial source and α-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the γ-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value V_z_z = +1.61(4) × 10"1"9 Vm"−"2 for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the "5"7Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the "5"7Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline α-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as V_z_z = +1.92(4) × 10"1"9 Vm"−"2. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin–orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L·λ·S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has λ=λ 1 for cubic systems with the symbol 1 denoting unit operator and λ being the coupling parameter. - Highlights: • Precision of MS the same as MAPON • Real scans versus magnetization direction • A challenge for ab initio calculations

Simple expressions of the nuclear relaxation rate enhancement due to quadrupole nuclei in slowly tumbling molecules

Energy Technology Data Exchange (ETDEWEB)

Fries, Pascal H., E-mail: pascal-h.fries@cea.fr [Université Grenoble Alpes, INAC-SCIB, RICC, F-38000 Grenoble (France); CEA, INAC-SCIB, RICC, F-38000 Grenoble (France); Belorizky, Elie [Université Grenoble Alpes, LIPHY, F-38000 Grenoble (France); CEA, Leti-Clinatec, F-38000 Grenoble (France)

2015-07-28

For slowly tumbling entities or quasi-rigid lattices, we derive very simple analytical expressions of the quadrupole relaxation enhancement (QRE) of the longitudinal relaxation rate R{sub 1} of nuclear spins I due to their intramolecular magnetic dipolar coupling with quadrupole nuclei of arbitrary spins S ≥ 1. These expressions are obtained by using the adiabatic approximation for evaluating the time evolution operator of the quantum states of the quadrupole nuclei S. They are valid when the gyromagnetic ratio of the spin S is much smaller than that of the spin I. The theory predicts quadrupole resonant peaks in the dispersion curve of R{sub 1} vs magnetic field. The number, positions, relative intensities, Lorentzian shapes, and widths of these peaks are explained in terms of the following properties: the magnitude of the quadrupole Hamiltonian and the asymmetry parameter of the electric field gradient (EFG) acting on the spin S, the S-I inter-spin orientation with respect to the EFG principal axes, the rotational correlation time of the entity carrying the S–I pair, and/or the proper relaxation time of the spin S. The theory is first applied to protein amide protons undergoing dipolar coupling with fast-relaxing quadrupole {sup 14}N nuclei and mediating the QRE to the observed bulk water protons. The theoretical QRE agrees well with its experimental counterpart for various systems such as bovine pancreatic trypsin inhibitor and cartilages. The anomalous behaviour of the relaxation rate of protons in synthetic aluminium silicate imogolite nano-tubes due to the QRE of {sup 27}Al (S = 5/2) nuclei is also explained.

Electric quadrupole moments and strong interaction effects in pionic atoms of 165Ho, 175Lu, 176Lu, 179Hf and 181Ta

International Nuclear Information System (INIS)

Olaniyi, B.; Shor, A.; Cheng, S.C.; Dugan, G.; Wu, C.S.

1981-05-01

The effective quadrupole moments Q sub(eff) of the nuclei of 165 Ho, 175 Lu, 176 Lu, 179 Hf and 181 Ta were accurately measured by detecting the pionic atom 5g-4f x-rays of the elements. The spectroscopic quadrupole moments, Q sub(spec), were obtained by correcting Q sub(eff) for nuclear finite size effect, distortion of the pion wave function by the pion-nucleus strong interaction, and contribution to the energy level splittings by the strong interaction. The intrinsic quadrupole moments, Q 0 , were obtained by projecting Q sub(spec) into the frame of reference fixed on the nucleus. The shift, epsilon 0 , and broadening, GAMMA 0 , of the 4f energy level due to the strong interactions between the pion and the nucleons for all the elements were also measured. Theoretical values of epsilon 0 and GAMMA 0 were calculated and compared to the experimental values. The measured values of Q 0 were compared with the existing results in muonic and pionic atoms. The measured values of epsilon 0 and GAMMA 0 were also compared with existing values. (auth)

Single molecule experiments challenge the strict wave-particle dualism of light.

Science.gov (United States)

Greulich, Karl Otto

2010-01-21

Single molecule techniques improve our understanding of the photon and light. If the single photon double slit experiment is performed at the "single photon limit" of a multi-atom light source, faint light pulses with more than one photon hamper the interpretation. Single molecules, quantum dots or defect centres in crystals should be used as light source. "Single photon detectors" do not meet their promise-only "photon number resolving single photon detectors" do so. Particularly, the accumulation time argument, the only safe basis for the postulate of a strictly particle like photon, has so far not yet been verified.

Measurements of quadrupole magnets

International Nuclear Information System (INIS)

Conradie, J.L.; Fourie, D.T.; Cornell, J.C.; Lloyd, G.C.W.

1987-01-01

Measurements carried out on quadrupole magnets using a long asymmetric rotating coil are described. Although the method itself is fairly well-known, the introduction of microprocessors has made this once-tedious technique into a useful and simple method of evaluating quadrupole magnets. The rotating-coil device and a variety of coil sizes are now commercially available. The coil contains a large number of extremely fine wires, embedded in a carefully balanced fibre-glass rotor, resulting in a reasonable induced voltage when the coil is rotated. A digital harmonic analyser is then used to obtain the integrated multipole content of the waveform, while the coil is rotating. By integrating over time, one can average out random noise and increase the reliability and repeatability of the measurements. Because the harmonic analysis is done in real time, the method is quick, easy and accurate, and has been extended to locate the precise magnetic centre of the quadrupole magnet by adjusting its position relative to the coil axis so as to minimize the dipole content of the output waveform. Results of these measurements are compared with those obtained with an optical method using a suspension of magnetite. The observed light pattern is explained analytically. (author)

Single-Molecule Light-Sheet Imaging of Suspended T Cells.

Science.gov (United States)

Ponjavic, Aleks; McColl, James; Carr, Alexander R; Santos, Ana Mafalda; Kulenkampff, Klara; Lippert, Anna; Davis, Simon J; Klenerman, David; Lee, Steven F

2018-05-08

Adaptive immune responses are initiated by triggering of the T cell receptor. Single-molecule imaging based on total internal reflection fluorescence microscopy at coverslip/basal cell interfaces is commonly used to study this process. These experiments have suggested, unexpectedly, that the diffusional behavior and organization of signaling proteins and receptors may be constrained before activation. However, it is unclear to what extent the molecular behavior and cell state is affected by the imaging conditions, i.e., by the presence of a supporting surface. In this study, we implemented single-molecule light-sheet microscopy, which enables single receptors to be directly visualized at any plane in a cell to study protein dynamics and organization in live, resting T cells. The light sheet enabled the acquisition of high-quality single-molecule fluorescence images that were comparable to those of total internal reflection fluorescence microscopy. By comparing the apical and basal surfaces of surface-contacting T cells using single-molecule light-sheet microscopy, we found that most coated-glass surfaces and supported lipid bilayers profoundly affected the diffusion of membrane proteins (T cell receptor and CD45) and that all the surfaces induced calcium influx to various degrees. Our results suggest that, when studying resting T cells, surfaces are best avoided, which we achieve here by suspending cells in agarose. Copyright © 2018. Published by Elsevier Inc.

Design of the PEP-II Interaction Region Septum Quadrupole

Science.gov (United States)

Osborn, J.; Tanabe, J.; Yee, D.; Younger, F.

1997-05-01

The PEP-II QF2 magnet is one of the final focus quadrupoles for the Low-Energy Ring (LER) and utilizes a septum aperture to accommodate the adjacent High-Energy Ring (HER) beamline. The LER lattice design specification calls for an extremely high field quality for this magnet. A conventional water-cooled copper coil and laminated steel core design was selected to allow adjustment in the excitation. The close proximity between the LER and HER beamlines and the required integrated quadrupole strength result in a moderately high current density septum design. The QF2 magnets are imbedded in a confined region at each end of the BaBar detector, thus requiring a small magnet core cross section. Pole face windings are included in the QF2 design to buck the skew octupole term induced by the solenoidal fringe field that leaks out of the detector. Back-leg windings are included to buck a small dipole component induced by the lack of perfect quadrupole symmetry in this septum design. 2D pole contour optimization and 3D end chamfers are used to minimize harmonic errors; a separate permanent-magnet Harmonic Corrector Ring compensates for remaining field errors. The design methods and approach, 2D and 3D analyses, and the resulting expected magnet performance are described in this paper.

Studying small molecule-aptamer interactions using MicroScale Thermophoresis (MST).

Science.gov (United States)

Entzian, Clemens; Schubert, Thomas

2016-03-15

Aptamers are potent and versatile binding molecules recognizing various classes of target molecules. Even challenging targets such as small molecules can be identified and bound by aptamers. Studying the interaction between aptamers and drugs, antibiotics or metabolites in detail is however difficult due to the lack of sophisticated analysis methods. Basic binding parameters of these small molecule-aptamer interactions such as binding affinity, stoichiometry and thermodynamics are elaborately to access using the state of the art technologies. The innovative MicroScale Thermophoresis (MST) is a novel, rapid and precise method to characterize these small molecule-aptamer interactions in solution at microliter scale. The technology is based on the movement of molecules through temperature gradients, a physical effect referred to as thermophoresis. The thermophoretic movement of a molecule depends - besides on its size - on charge and hydration shell. Upon the interaction of a small molecule and an aptamer, at least one of these parameters is altered, leading to a change in the movement behavior, which can be used to quantify molecular interactions independent of the size of the target molecule. The MST offers free choice of buffers, even measurements in complex bioliquids are possible. The dynamic affinity range covers the pM to mM range and is therefore perfectly suited to analyze small molecule-aptamer interactions. This section describes a protocol how quantitative binding parameters for aptamer-small molecule interactions can be obtained by MST. This is demonstrated by mapping down the binding site of the well-known ATP aptamer DH25.42 to a specific region at the adenine of the ATP molecule. Copyright © 2015 Elsevier Inc. All rights reserved.

DNA-psoralen interaction: a single molecule experiment.

Science.gov (United States)

Rocha, M S; Viana, N B; Mesquita, O N

2004-11-15

By attaching one end of a single lambda-DNA molecule to a microscope coverslip and the other end to a polystyrene microsphere trapped by an optical tweezers, we can study the entropic elasticity of the lambda-DNA by measuring force versus extension as we stretch the molecule. This powerful method permits single molecule studies. We are particularly interested in the effects of the photosensitive drug psoralen on the elasticity of the DNA molecule. We have illuminated the sample with different light sources, studying how the different wavelengths affect the psoralen-DNA linkage. To do this, we measure the persistence length of individual DNA-psoralen complexes.

Single Molecule Experiments Challenge the Strict Wave-Particle Dualism of Light

Directory of Open Access Journals (Sweden)

Karl Otto Greulich

2010-01-01

Full Text Available Single molecule techniques improve our understanding of the photon and light. If the single photon double slit experiment is performed at the “single photon limit” of a multi-atom light source, faint light pulses with more than one photon hamper the interpretation. Single molecules, quantum dots or defect centres in crystals should be used as light source. “Single photon detectors” do not meet their promise―only “photon number resolving single photon detectors” do so. Particularly, the accumulation time argument, the only safe basis for the postulate of a strictly particle like photon, has so far not yet been verified.

14N nuclear quadrupole interaction in Cu(II) doped L-alanine

International Nuclear Information System (INIS)

Murgich, J.; Calvo, R.; Oseroff, S.B.; Instituto Venezolano de Investigaciones Cientificas, Caracas. Dept. de Quimica)

1980-01-01

The 14 N nuclear quadrupole interaction tensor Psub(N) measured by ENDOR in Cu(II) doped L-alanine is analyzed in terms of the Townes and Daily theory assuming a tetra-hedrally bonded N atom. The results of this analysis are compared with those for the 14 N in pure L-alanine and it is found that the principal directions of the Psub(N) tensor are drastically changed upon metal complexation as a consequence of the higher electron affinity of Cu(II) with respect to C and H. Comparison of the corresponding bond populations in pure and Cu(II) doped L-alanine indicates that the Cu draws 0.11 more electron from the N than the substituted H atom. (orig.)

Luminescence of Rubrene and DCJTB molecules in organic light-emitting devices

Energy Technology Data Exchange (ETDEWEB)

Moon, Chang-Bum, E-mail: cbmoon@hoseo.edu [Department of Display Engineering, Hoseo University, Sechul-Ri 160, Baebang, Asan, Chung-Nam 336-795 (Korea, Republic of); Department of Engineering Physics, McMaster University, Hamilton, Ontario, Canada L8S4L7 (Canada); Song, Wook; Meng, Mei; Kim, Nam Ho; Yoon, Ju-An [Department of Display Engineering, Hoseo University, Sechul-Ri 160, Baebang, Asan, Chung-Nam 336-795 (Korea, Republic of); Kim, Woo Young, E-mail: wykim@hoseo.edu [Department of Display Engineering, Hoseo University, Sechul-Ri 160, Baebang, Asan, Chung-Nam 336-795 (Korea, Republic of); Wood, Richard; Mascher, Peter [Department of Engineering Physics, McMaster University, Hamilton, Ontario, Canada L8S4L7 (Canada)

2014-02-15

We investigated the optical properties of light emission based on the resonance energy transfer mechanism between two molecules in the host–dopant systems. For this purpose, we fabricated the organic light-emitting devices with the different doped emissive layers. The host matrices were made of 4,4′,4″-tris(carbasol-l-nyl)triphenylamine (TCTA) and 2-methyl-9,10-di(2-naphthyl)anthracene (MADN) molecules and the doped molecules were 5,6,11,12-tetraphenylnaphtacene (Rubrene) and 4-(Dicyanomethylene)-2-tert-butyl-6- (1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran (DCJTB). The concentrations of the doped molecules were 0.1%, 0.3%, 0.5%, and 0.8%. Through spectroscopic analysis using multi-peak fits with a Gaussian function to the emission spectra, we obtained the relative light intensity of the two dopants according to the doping concentrations and examined the relations between the molecular excited energy states and the nature of energy transfer in the host and dopant systems. We show that the luminous efficiency of the devices has a strong correlation between the energy transfer owing to the individual molecular intrinsic properties and the electrical characteristics associated with the bulky properties in the devices. -- Highlights: • Fabrication and characterization of the OLEDs with a host–dopant system in the emissive layer. • Investigation of the optical properties of light emission based on the resonance energy transfer mechanism between the dopant molecules. • EL and PL spectroscopic study for the structure of the molecular energy levels in the dopant molecules.

AA, shims and washers on quadrupole ends

CERN Multimedia

CERN PhotoLab

1981-01-01

Due to the fact that much of the field of the quadrupoles was outside the iron (in particular with the wide quadrupoles) and that thus the fields of quadrupoles and bending magnets interacted, the lattice properties of the AA could not be predicted with the required accuracy. After a first running period in 1980, during which detailed measurements were made with proton test beams, corrections to the quadrupoles were made in 1981, in the form of laminated shims at the ends of the poles, and with steel washers. With the latter ones, further refinements were made in an iterative procedure with measurements on the circulating beam. This eventually resulted, amongst other things, in a very low chromaticity, with the Q-values being constant to within +- 0.001 over the total momentum range of 6 %. Here we see the shims and washers on a narrow qudrupole (QFN, QDN). See also 8103203, 8103204, 8103205, 8103206.

ISABELLE insertion quadrupoles

International Nuclear Information System (INIS)

Kaugerts, J.; Polk, I.; Sampson, W.; Dahl, P.F.

1979-01-01

Beam focussing and control at the beam intersection regions of ISABELLE is accomplished by a number of superconducting insertion quadrupoles. These magnets differ from the standard ISABELLE quadrupoles in various ways. In particular, the requirements of limited space near the intersections and aperture for beam extraction impose constraints on their configuration. To achieve optimum beam focussing and provide tuning flexibility calls for stronger quadrupole trim windings than those in the standard quadrupoles. The magnetic and mechanical design of the insertion quadrupoles and their associated correction and steering windings to accomplish the above tasks is presented

Large permanent magnet quadrupoles for an electron storage ring

International Nuclear Information System (INIS)

Herb, S.W.

1987-01-01

We have built large high quality permanent magnet quadrupoles for use as interaction region quadrupoles in the Cornell Electron Storage Ring where they must operate in the 10 kG axial field of the CLEO experimental detector. We describe the construction and the magnetic measurement and tuning procedures used to achieve the required field quality and stability. (orig.)

Interactions of electrons with biologically important molecules

International Nuclear Information System (INIS)

Pisklova, K.; Papp, P.; Stano, M.

2012-01-01

For the study of interactions of low-energy electrons with the molecules in the gas phase, the authors used electron-molecule cross-beam apparatus. The experiment is carried out in high vacuum, where molecules of the tested compound are inducted through a capillary. For purposes of this experiment the sample was electrically heated to 180 Deg C., giving a bundle of GlyGly molecules into the gas phase. The resulting signals can be evaluated in two different modes: mass spectrum - at continuous electron energy (e.g. 100 eV) they obtained the signal of intensity of the ions according to their mass to charge ratio; ionization and resonance spectra - for selected ion mass when the authors received the signal of intensity of the ions, depending on the energy of interacting electron.

Puzzle of the 6Li Quadrupole Moment: Steps toward Solving It

International Nuclear Information System (INIS)

Blokhintsev, L.D.; Kukulin, V.I.; Pomerantsev, V.N.

2005-01-01

The problem of the origin of the quadrupole deformation in the 6 Li ground state is investigated with allowance for the three-deuteron component of the 6 Li wave function. Two long-standing puzzles related to the tensor interaction in the 6 Li nucleus are known: that of an anomalous smallness of the 6 Li quadrupole moment (being negative, it is smaller in magnitude than the 7 Li quadrupole moment by a factor of 5) and that of an anomalous behavior of the tensor analyzing power T 2q in the scattering of polarized 6 Li nuclei on various targets. It is shown that a large (in magnitude) negative exchange contribution to the 6 Li quadrupole moment from the three-deuteron configuration cancels almost completely the 'direct' positive contribution due to the αd folding potential. As a result, the total quadrupole moment proves to be close to zero and highly sensitive to fine details of the tensor nucleon-nucleon interaction in the 4 He nucleus and of its wave function

Full Alignment of Molecules Using Elliptically Polarized Light

DEFF Research Database (Denmark)

Larsen, Jakob Juul; Hald, Kasper; Seideman, Tamar

When a molecule with an anisotropic polarizability is placed in a strong nonresonant laser field the interaction occurs through the induced dipole moment. The outcome is that the molecule experiences an angular dependent potential energy. It is now well established that a linearly polarized laser...... field can be used to align molecules along their axis of highest polarizability. Here we demonstrate, theoretically and experimentally, that an elliptically polarized laser field can be used to simultaneously force two axes of a molecule into alignment through the same mechanism. Due to the rigidity...

Nature of isomerism of solid isothiourea salts, inhibitors of nitric oxide synthases, as studied by 1H-14N nuclear quadrupole double resonance, X-ray, and density functional theory/quantum theory of atoms in molecules.

Science.gov (United States)

Latosińska, J N; Latosińska, M; Seliger, J; Žagar, V; Maurin, J K; Kazimierczuk, Z

2012-02-09

Isothioureas, inhibitors of nitric oxide synthases, have been studied experimentally in solid state by nuclear quadrupole double resonance (NQDR) and X-ray methods and theoretically by the quantum theory of atoms in molecules/density functional theory. Resonance frequencies on (14)N have been detected and assigned to particular nitrogen sites in each molecule. The crystal packings of (S)-3,4-dichlorobenzyl-N-methylisothiouronium chloride with the disordered chlorine positions in benzene ring and (S)-butyloisothiouronium bromide have been resolved in X-ray diffraction studies. (14)N NQDR spectra have been found good indicators of isomer type and strength of intra- or intermolecular N-H···X (X = Cl, Br) interactions. From among all salts studied, only for (S)-2,3,4,5,6-pentabromobenzylisothiouronium chloride are both nitrogen sites equivalent, which has been explained by the slow exchange. This unique structural feature can be a key factor in the high biological activity of (S)-2,3,4,5,6-pentabromobenzylisothiouronium salts.

Molecular multipole moments of water molecules in ice Ih

International Nuclear Information System (INIS)

Batista, E.R.; Xantheas, S.S.; Jonsson, H.

1998-01-01

We have used an induction model including dipole, dipole endash quadrupole, quadrupole endash quadrupole polarizability and first hyperpolarizability as well as fixed octopole and hexadecapole moments to study the electric field in ice. The self-consistent induction calculations gave an average total dipole moment of 3.09 D, a 67% increase over the dipole moment of an isolated water molecule. A previous, more approximate induction model study by Coulson and Eisenberg [Proc. R. Soc. Lond. A 291, 445 (1966)] suggested a significantly smaller average value of 2.6 D. This value has been used extensively in recent years as a reference point in the development of various polarizable interaction potentials for water as well as for assessment of the convergence of water cluster properties to those of bulk. The reason for this difference is not due to approximations made in the computational scheme of Coulson and Eisenberg but rather due to the use of less accurate values for the molecular multipoles in these earlier calculations. copyright 1998 American Institute of Physics

Electric quadrupole interaction in cubic BCC α-Fe

Energy Technology Data Exchange (ETDEWEB)

Błachowski, A.; Komędera, K. [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Ruebenbauer, K., E-mail: sfrueben@cyf-kr.edu.pl [Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, ul. Podchorążych 2, PL-30-084 Kraków (Poland); Cios, G.; Żukrowski, J. [AGH University of Science and Technology, Academic Center for Materials and Nanotechnology, Av. A. Mickiewicza 30, PL-30-059 Kraków (Poland); Górnicki, R. [RENON, ul. Gliniana 15/15, PL-30-732 Kraków (Poland)

2016-07-15

Mössbauer transmission spectra for the 14.41-keV resonant line in {sup 57}Fe have been collected at room temperature by using {sup 57}Co(Rh) commercial source and α-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the γ-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value V{sub zz} = +1.61(4) × 10{sup 19} Vm{sup −2} for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the {sup 57}Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the {sup 57}Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline α-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as V{sub zz} = +1.92(4) × 10{sup 19} Vm{sup −2}. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin–orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L·λ·S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has λ=λ 1 for cubic systems with the symbol 1 denoting unit operator and λ being the coupling parameter. - Highlights: • Precision of MS the same as MAPON • Real scans versus magnetization direction • A challenge

The nuclear quadrupole interaction of {sup 181}Ta in the intermetallic compound Hf{sub 2}Rh

Energy Technology Data Exchange (ETDEWEB)

Ivanovic, N.; Koicki, S.; Cekic, B.; Manasijevic, M.; Koteski, V.; Marjanovic, D. [Institute of Nuclear Sciences VINCA, Laboratory for Nuclear and Plasma Physics, PO Box 522, Belgrade (Yugoslavia)

1999-01-11

The time differential perturbed angular correlation technique has been used to measure the electric field gradient at {sup 181}Ta impurities in the intermetallic compound Hf{sub 2}Rh. The results of the measurements show the presence of two independent quadrupole interactions. At room temperature the interaction frequencies are {omega}{sub Q1} = 58 Mrad s{sup -1} and {omega}{sub Q2} = 239 Mrad s{sup -1}. The electric field gradient V{sub 22}, the corresponding asymmetry parameter {eta} and the distribution parameter {delta} exhibit a pronounced temperature dependence from 78 to 1223 K. (author)

The quadrupole moments of Cd and Zn isotopes - an apology

Science.gov (United States)

Haas, H.; Barbosa, M. B.; Correia, J. G.

2016-12-01

In 2010 we presented an update of the nuclear quadrupole moments (Q) for the Cd and Zn isotopes, based essentially on straightforward density functional (DF) calculations (H. Haas and J.G. Correia, Hyperfine Interact 198, 133-137 (2010)). It has been apparent for some years that the standard DF procedure obviously fails, however, to reproduce the known electric-field gradient (EFG) for various systems, typical cases being Cu2O, As and Sb, and the solid halogens. Recently a cure for this deficiency has been found in the hybrid DF technique. This method is now applied to solid Cd and Zn, and the resultant quadrupole moments are about 15 % smaller than in our earlier report. Also nuclear systematics, using the recently revised values of Q for the long-lived 11/2 isomers in111Cd to129Cd, together with earlier PAD data for107,109Cd, leads to the same conclusion. In addition, EFG calculations for the cadmium dimethyl molecule further support the new values: Q(111Cd, 5/2+) = .683(20) b, Q(67Zn, gs) = .132(5) b. This implies, that the value for the atomic EFG in the 3it {P}1 state of Zn must be revised, as it has been for Cd.

BODIPY star-shaped molecules as solid state colour converters for visible light communications

Energy Technology Data Exchange (ETDEWEB)

Vithanage, D. A.; Manousiadis, P. P.; Sajjad, M. T.; Samuel, I. D. W., E-mail: idws@st-andrews.ac.uk, E-mail: gat@st-andrews.ac.uk; Turnbull, G. A., E-mail: idws@st-andrews.ac.uk, E-mail: gat@st-andrews.ac.uk [Organic Semiconductor Centre, SUPA, School of Physics and Astronomy, University of St Andrews, St. Andrews KY16 9SS (United Kingdom); Rajbhandari, S. [School of Computing, Electronics and Mathematics, Coventry University, Coventry, West Midlands CV1 2JH (United Kingdom); Department of Engineering Science, University of Oxford, Oxford OX1 3PJ (United Kingdom); Chun, H.; Faulkner, G.; O' Brien, D. C. [Department of Engineering Science, University of Oxford, Oxford OX1 3PJ (United Kingdom); Orofino, C.; Cortizo-Lacalle, D.; Findlay, N. J.; Skabara, P. J. [WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL (United Kingdom); Kanibolotsky, A. L. [WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow G1 1XL (United Kingdom); Institute of Physical-Organic Chemistry and Coal Chemistry, 02160 Kyiv (Ukraine)

2016-07-04

In this paper, we study a family of solid-state, organic semiconductors for visible light communications. The star-shaped molecules have a boron-dipyrromethene (BODIPY) core with a range of side arm lengths which control the photophysical properties. The molecules emit red light with photoluminescence quantum yields ranging from 22% to 56%. Thin films of the most promising BODIPY molecules were used as a red colour converter for visible light communications. The film enabled colour conversion with a modulation bandwidth of 73 MHz, which is 16 times higher than that of a typical phosphor used in LED lighting systems. A data rate of 370 Mbit/s was demonstrated using On-Off keying modulation in a free space link with a distance of ∼15 cm.

Modelling of energetic molecule-surface interactions

International Nuclear Information System (INIS)

Kerford, M.

2000-09-01

This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater axe examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves axe seen to occur. These waves axe used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis. (author)

Quadrupole moment in the excited 2Psub(1/2) state

International Nuclear Information System (INIS)

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

1984-01-01

Computation of the quadrupole moment values in the 2Psub(1/2) states of hydrogen and meso-hydrogen is carried out. It is shown that allowance for the hyperfine interaction of the electron with the proton in the first order of perturbation theory results in giant values of the quadrupole moment of the atoms. (author)

Hydrogen bond interactions in sulfamerazine: DFT study of the O-17, N-14, and H-2 electric field gradient tensors

International Nuclear Information System (INIS)

Aghazadeh, Mustafa; Mirzaei, Mahmoud

2008-01-01

Hydrogen bond (HB) interactions are studied in the real crystalline structure of sulfamerazine by density functional theory (DFT) calculations of the electric field gradient (EFG) tensors at the sites of O-17, N-14, and H-2 nuclei. One-molecule (single) and four-molecule (cluster) models of sulfamerazine are created by available crystal coordinates and the EFG tensors are calculated in both models to indicate the influence of HB interactions on the tensors. Directly relate to the experiments, the calculated EFG tensors are converted to the experimentally measurable nuclear quadrupole resonance (NQR) parameters, quadrupole coupling constant (qcc) and asymmetry parameter (η Q ). The evaluated NQR parameters reveal that due to contribution of the target molecule to N-H...N and N-H...O types of HB interactions, the EFG tensors at the sites of various nuclei are influenced from single model to the target molecule in cluster. Additionally, O2, N4, and H2 nuclei of the target molecule are significantly influenced by HB interactions, consequently, they have the major contributions to HB interactions in cluster model of sulfamerazine. The calculations are performed employing B3LYP method and 6-311++G** basis set using GAUSSIAN 98 suite of program

Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

Science.gov (United States)

Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

2008-02-19

Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

On the equivalence of quadrupole phonon model and interacting boson model

International Nuclear Information System (INIS)

Kyrchev, G.

1980-01-01

A rigorous proof of the quadrupole phonon model (QPM) and the interacting boson model (IBM) equivalence (the Hamiltonians and the relevant operators of both models are identical) is presented. Within the theory of classical Lie algebras the Schwinger representation (SR) construction of SU(6)-algebra, generated by QPM collective coordinates, conjugated momenta and their commutators, is given. Having the explicit form of SU(6) generators in SR, we get the QPM collective Hamiltonian in SR (previously Holstein-Primakoff infinite Boson expansion has been applied for this Hamiltonian). The Hamiltonian of QPM thus obtained contains all Boson structures, which are present in the Hamiltonian of IBM and under definite relations between their parameters, both Hamiltonians coincide identically. The relevant operators are identical too. Thus, though QPM and IBM, being advanced independently, have been developed in a different fashion, they are essentially equivalent

Exotic helium molecules; Molecules exotiques d'helium

Energy Technology Data Exchange (ETDEWEB)

Portier, M

2007-12-15

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

Analysis of magnetic nanoparticles using quadrupole magnetic field-flow fractionation

International Nuclear Information System (INIS)

Carpino, Francesca; Moore, Lee R.; Zborowski, Maciej; Chalmers, Jeffrey J.; Williams, P. Stephen

2005-01-01

The new technique of quadrupole magnetic field-flow fractionation is described. It is a separation and characterization technique for particulate magnetic materials. Components of a sample are eluted from the separation channel at times dependent on the strength of their interaction with the magnetic field. A quadrupole electromagnet allows a programmed reduction of field strength during analysis of polydisperse samples

Rescuing the nonjet (NJ) azimuth quadrupole from the flow narrative

Science.gov (United States)

Trainor, Thomas A.

2017-04-01

According to the flow narrative commonly applied to high-energy nuclear collisions a cylindrical-quadrupole component of 1D azimuth angular correlations is conventionally denoted by quantity υ2 and interpreted to represent elliptic flow. Jet angular correlations may also contribute to υ2 data "nonflow" depending on the method used to calculate υ2, but 2D graphical methods are available to insure accurate separation. The nonjet (NJ) quadrupole has various properties inconsistent with a flow interpretation, including the observation that NJ quadrupole centrality variation in A-A collisions has no relation to strongly-varying jet modication ("jet quenching") in those collisions commonly attributed to jet interaction with a flowing dense medium. In this presentation I describe isolation of quadrupole spectra from pt-differential υ2(pt) data from the RHIC and LHC. I demonstrate that quadrupole spectra have characteristics very different from the single-particle spectra for most hadrons, that quadrupole spectra indicate a common boosted hadron source for a small minority of hadrons that "carry" the NJ quadrupole structure, that the narrow source-boost distribution is characteristic of an expanding thin cylindrical shell (strongly contradicting hydro descriptions), and that in the boost frame a single universal quadrupole spectrum (Lévy distribution) on transverse mass mt accurately describes data for several hadron species scaled according to their statistical-model abundances. The quadrupole spectrum shape changes very little from RHIC to LHC energies. Taken in combination those characteristics strongly suggest a unique nonflow (and nonjet) QCD mechanism for the NJ quadrupole conventionally represented by υ2.

Rescuing the nonjet (NJ azimuth quadrupole from the flow narrative

Directory of Open Access Journals (Sweden)

Trainor Thomas A.

2017-01-01

Full Text Available According to the flow narrative commonly applied to high-energy nuclear collisions a cylindrical-quadrupole component of 1D azimuth angular correlations is conventionally denoted by quantity υ2 and interpreted to represent elliptic flow. Jet angular correlations may also contribute to υ2 data “nonflow” depending on the method used to calculate υ2, but 2D graphical methods are available to insure accurate separation. The nonjet (NJ quadrupole has various properties inconsistent with a flow interpretation, including the observation that NJ quadrupole centrality variation in A-A collisions has no relation to strongly-varying jet modication (“jet quenching” in those collisions commonly attributed to jet interaction with a flowing dense medium. In this presentation I describe isolation of quadrupole spectra from pt-differential υ2(pt data from the RHIC and LHC. I demonstrate that quadrupole spectra have characteristics very different from the single-particle spectra for most hadrons, that quadrupole spectra indicate a common boosted hadron source for a small minority of hadrons that “carry” the NJ quadrupole structure, that the narrow source-boost distribution is characteristic of an expanding thin cylindrical shell (strongly contradicting hydro descriptions, and that in the boost frame a single universal quadrupole spectrum (Lévy distribution on transverse mass mt accurately describes data for several hadron species scaled according to their statistical-model abundances. The quadrupole spectrum shape changes very little from RHIC to LHC energies. Taken in combination those characteristics strongly suggest a unique nonflow (and nonjet QCD mechanism for the NJ quadrupole conventionally represented by υ2.

A versatile tunable microcavity for investigation of light-matter interaction

Science.gov (United States)

Mochalov, Konstantin E.; Vaskan, Ivan S.; Dovzhenko, Dmitriy S.; Rakovich, Yury P.; Nabiev, Igor

2018-05-01

Light-matter interaction between a molecular ensemble and a confined electromagnetic field is a promising area of research, as it allows light-control of the properties of coupled matter. The common way to achieve coupling is to place an ensemble of molecules or quantum emitters into a cavity. In this approach, light-matter coupling is evidenced by modification of the spectral response of the emitter, which depends on the strength of interaction between emitter and cavity modes. However, there is not yet a user-friendly approach that allows the study of a large number of different and replaceable samples in a wide optical range using the same resonator. Here, we present the design of such a device that can speed up and facilitate investigation of light-matter interaction ranging from weak to strong coupling regimes in ultraviolet-visible and infrared (IR) spectral regions. The device is based on a tunable unstable λ/2 Fabry-Pérot microcavity consisting of plane and convex mirrors that satisfy the plane-parallelism condition at least at one point of the curved mirror and minimize the mode volume. Fine tuning of the microcavity length is provided by a Z-piezopositioner in a range up to 10 μm with a step of several nm. This design makes a device a versatile instrument that ensures easy finding of optimal conditions for light-matter interaction for almost any sample in both visible and IR areas, enabling observation of both electronic and vibrational couplings with microcavity modes thus paving the way to investigation of various coupling effects including Raman scattering enhancement, modification of chemical reactivity rate, lasing, and long-distance nonradiative energy transfer.

Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

International Nuclear Information System (INIS)

Vugman, N.V.

1973-08-01

The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts

International Nuclear Information System (INIS)

Chang, Yung-Ting; Liu, Shun-Wei; Yuan, Chih-Hsien; Lee, Chih-Chien; Ho, Yu-Hsuan; Wei, Pei-Kuen; Chen, Kuan-Yu; Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti; Wu, Chih-I

2013-01-01

Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7 cd/A and maximum power efficiency of 8.39 lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7 cd/A and 8.39 lm/W to 23 cd/A and 13.2 lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts

Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts

Energy Technology Data Exchange (ETDEWEB)

Chang, Yung-Ting [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China); Liu, Shun-Wei [Department of Electronic Engineering, Mingchi University of Technology, New Taipei, Taiwan 24301, Taiwan (China); Yuan, Chih-Hsien; Lee, Chih-Chien [Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan 10607, Taiwan (China); Ho, Yu-Hsuan; Wei, Pei-Kuen [Research Center for Applied Science Academia Sinica, Taipei, Taiwan 11527, Taiwan (China); Chen, Kuan-Yu [Chilin Technology Co., LTD, Tainan City, Taiwan 71758, Taiwan (China); Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Wu, Chih-I, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China)

2013-11-07

Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7 cd/A and maximum power efficiency of 8.39 lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7 cd/A and 8.39 lm/W to 23 cd/A and 13.2 lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts.

Model of an LHC superconducting quadrupole magnet

CERN Multimedia

Laurent Guiraud

2000-01-01

Model of a superconducting quadrupole magnet for the LHC project. These magnets are used to focus the beam by squeezing it into a smaller cross-section, a similar effect to a lens focusing light. However, each magnet only focuses the beam in one direction so alternating magnet arrangements are required to produce a fully focused beam.

3D single-molecule super-resolution microscopy with a tilted light sheet.

Science.gov (United States)

Gustavsson, Anna-Karin; Petrov, Petar N; Lee, Maurice Y; Shechtman, Yoav; Moerner, W E

2018-01-09

Tilted light sheet microscopy with 3D point spread functions (TILT3D) combines a novel, tilted light sheet illumination strategy with long axial range point spread functions (PSFs) for low-background, 3D super-localization of single molecules as well as 3D super-resolution imaging in thick cells. Because the axial positions of the single emitters are encoded in the shape of each single-molecule image rather than in the position or thickness of the light sheet, the light sheet need not be extremely thin. TILT3D is built upon a standard inverted microscope and has minimal custom parts. The result is simple and flexible 3D super-resolution imaging with tens of nm localization precision throughout thick mammalian cells. We validate TILT3D for 3D super-resolution imaging in mammalian cells by imaging mitochondria and the full nuclear lamina using the double-helix PSF for single-molecule detection and the recently developed tetrapod PSFs for fiducial bead tracking and live axial drift correction.

On the theoretical description of nuclear quadrupole coupling in Π states of small molecules

Czech Academy of Sciences Publication Activity Database

Fišer, J.; Polák, Rudolf

2013-01-01

Roč. 425, NOV 2013 (2013), s. 126-133 ISSN 0301-0104 Institutional support: RVO:61388955 Keywords : Π States * Nuclear quadrupole coupling constant * Electric dipole moment Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.028, year: 2013

Determination of the effective quadrupole moment in $^{181}$Ta with pionic x-rays

CERN Document Server

Beetz, R; Fransson, K; Konijn, J; Panman, J; Tauscher, Ludwig; Tibell, G

1978-01-01

From the hyperfine splitting of the 5g to 4f and the 6g to 4f pionic X-rays in /sup 181/Ta, an effective quadrupole moment of Q/sub eff /=3.58+or-0.03 b was determined. The strong interaction monopole shift epsilon /sub 0/ and the width Gamma /sub 0/ of the 4f level were measured to be epsilon /sub 0/=540+or-100 eV and Gamma /sub 0 /=225+or-57 eV, in good agreement with the values obtained with the standard optical potential description of the pion-nucleus interaction. Estimating the influence of the finite nuclear size, the deformation induced through the strong interaction between the pion and the finite nucleus, and the relative magnitude between the strong and the electromagnetic quadrupole coupling constants values for the spectroscopic quadrupole moment of Q=3.30+or-0.06 b, and for the intrinsic quadrupole moment of Q/sub 0/=7.06+or-0.12 b are obtained. (28 refs).

Radiation response of hydrated urea evaluated using 14N nuclear quadrupole resonance

International Nuclear Information System (INIS)

Hintenlang, D.E.

1992-01-01

In this paper Nitrogen-14 nuclear quadrupole resonance is utilized to detect radiation-induced changes in urea over the 0- to 300-Gy dose range. The spin-spin relaxation time exhibits a consistent change as a function of delivered dose in hydrated urea under exposure to 60 Co gamma radiation. No changes to the spin-spin relaxation time are observed in urea samples that were not hydrated. The radiation-induced changes are attributed to indirect radiation interactions with the water surrounding the urea molecules and are explained by the formation of subtle changes in the electron bonding configurations surrounding the 14 N nuclei, not major structural rearrangements. These subtle changes may provide additional insight into the effects of ionizing radiation on biological systems

Exotic helium molecules; Molecules exotiques d'helium

Energy Technology Data Exchange (ETDEWEB)

Portier, M

2007-12-15

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

A study on interaction of DNA molecules and carbon nanotubes for an effective ejection of the molecules

International Nuclear Information System (INIS)

Wu, N.; Wang, Q.

2012-01-01

The ejection of DNA molecules from carbon nanotubes is reported from interaction energy perspectives by molecular dynamics simulations. The critical ejection energy, which is to be applied to a DNA molecule for a successful ejection from a carbon nanotube, is investigated based on a study on the friction and binding energy between the DNA molecule and the tube. An effective ejection is realized by subjecting a kinetic energy on the DNA molecule that is larger than the solved critical ejection energy. In addition, the relationship between ejection energies and sizes of DNA molecules and carbon nanotubes is investigated. -- Highlights: ► Report the ejection of DNA molecules from CNTs from interaction energy perspectives. ► Develop a methodology for the critical energy of an effective ejection of a DNA molecule from a CNT. ► Present the relationship between critical ejection energies and sizes of DNA molecules and CNTs. ► Provide a general guidance on the ejection of encapsulated molecules from CNTs.

Electric quadrupole interactions on /sup 12/B and /sup 12/N implanted in Mg studied by nuclear depolarization due to level mixing

Energy Technology Data Exchange (ETDEWEB)

Tanihata, I; Kogo, S; Sugimoto, K [Osaka Univ., Toyonaka (Japan). Lab. of Nuclear Studies

1977-04-25

Electric quadrupole interactions on polarized /sup 12/B and /sup 12/N implanted in a Mg single crystal have been studied by a new method in which the nuclear depolarization due to level mixing caused by an external magnetic field is detected.

Eight piece quadrupole magnet, method for aligning quadrupole magent pole tips

Science.gov (United States)

Jaski, Mark S.; Liu, Jie; Donnelly, Aric T.; Downey, Joshua S.; Nudell, Jeremy J.; Jain, Animesh

2018-01-30

The invention provides an alternative to the standard 2-piece or 4-piece quadrupole. For example, an 8-piece and a 10-piece quadrupole are provided whereby the tips of each pole may be adjustable. Also provided is a method for producing a quadrupole using standard machining techniques but which results in a final tolerance accuracy of the resulting construct which is better than that obtained using standard machining techniques.

Reciprocal carbonyl-carbonyl interactions in small molecules and proteins.

Science.gov (United States)

Rahim, Abdur; Saha, Pinaki; Jha, Kunal Kumar; Sukumar, Nagamani; Sarma, Bani Kanta

2017-07-19

Carbonyl-carbonyl n→π* interactions where a lone pair (n) of the oxygen atom of a carbonyl group is delocalized over the π* orbital of a nearby carbonyl group have attracted a lot of attention in recent years due to their ability to affect the 3D structure of small molecules, polyesters, peptides, and proteins. In this paper, we report the discovery of a "reciprocal" carbonyl-carbonyl interaction with substantial back and forth n→π* and π→π* electron delocalization between neighboring carbonyl groups. We have carried out experimental studies, analyses of crystallographic databases and theoretical calculations to show the presence of this interaction in both small molecules and proteins. In proteins, these interactions are primarily found in polyproline II (PPII) helices. As PPII are the most abundant secondary structures in unfolded proteins, we propose that these local interactions may have implications in protein folding.Carbonyl-carbonyl π* non covalent interactions affect the structure and stability of small molecules and proteins. Here, the authors carry out experimental studies, analyses of crystallographic databases and theoretical calculations to describe an additional type of carbonyl-carbonyl interaction.

Light and noise pollution interact to disrupt interspecific interactions.

Science.gov (United States)

McMahon, Taegan A; Rohr, Jason R; Bernal, Ximena E

2017-05-01

Studies on the consequences of urbanization often examine the effects of light, noise, and heat pollution independently on isolated species providing a limited understanding of how these combined stressors affect species interactions. Here, we investigate how these factors interact to affect parasitic frog-biting midges (Corethrella spp.) and their túngara frog (Engystomops pustulosus) hosts. A survey of túngara frog calling sites revealed that frog abundance was not significantly correlated with urbanization, light, noise, or temperature. In contrast, frog-biting midges were sensitive to light pollution and noise pollution. Increased light intensity significantly reduced midge abundance at low noise levels. At high noise intensity, there were no midges regardless of light level. Two field experiments controlling light and noise levels to examine attraction of the midges to their host and their feeding behavior confirmed the causality of these field patterns. These findings demonstrate that both light and noise pollution disrupt this host-parasite interaction and highlight the importance of considering interactions among species and types of pollutants to accurately assess the impacts of urbanization on ecological communities. © 2017 by the Ecological Society of America.

Light controllable catalytic activity of Au clusters decorated with photochromic molecules

Science.gov (United States)

Guo, Na; Meng Yam, Kah; Zhang, Chun

2018-06-01

By ab initio calculations, we show that when decorated with a photochromic molecule, the catalytic activity of an Au nanocluster can be reversibly controlled by light. The combination of a photochromic thiol-pentacarbonyl azobenzene (TPA) molecule and an Au8 cluster is chosen as a model catalyst. The TPA molecule has two configurations (trans and cis) that can be reversibly converted to each other upon photo-excitation. Our calculations show that when the TPA takes the trans configuration, the combined system (trans-Au8) is an excellent catalyst for CO oxidation. The reaction barrier of the catalyzed CO oxidation is less than 0.4 eV. While, the reaction barrier of CO oxidation catalyzed by cis-Au8 is very high (>2.7 eV), indicating that the catalyst is inactive. These results pave the way for a new class of light controllable nanoscale catalysts.

The puzzle of the 6Li quadrupole moment: steps toward the solution

International Nuclear Information System (INIS)

Blokhintsev, L.D.; Kukulin, V.I.; Pomerantsev, V.N.

2005-01-01

The problem of origin of the ground-state 6 Li quadrupole deformation has been investigated with account of the three-deuteron component of this nucleus wave function. two long-standing puzzles related to the tensor interaction in 6 Li are known. The first one lies in the anomalously small value of the 6 Li quadrupole moment which, being negative, is in absolute magnitude smaller by the factor of 5 than that of 6 Li. The second puzzle consists in the anomalous behavior of the tensor analyzing power T 2q in scattering of polarized 6 Li nuclei from various targets. It is shown that the large (in absolute magnitude) negative contribution to the 6 Li quadrupole moment resulting from the three-deuteron configuration cancels almost completely the direct positive contribution due to the folding αd-potential. As a result, the total quadrupole moment turns out to be close to zero and highly sensitive to fine details of the tensor NN interaction and of the 4 He wave function [ru

White polymer light-emitting electrochemical cells using emission from exciplexes with long intermolecular distances formed between polyfluorene and π-conjugated amine molecules

Science.gov (United States)

Nishikitani, Y.; Takeuchi, H.; Nishide, H.; Uchida, S.; Yazaki, S.; Nishimura, S.

2015-12-01

The authors present white polymer light-emitting electrochemical cells (PLECs) fabricated with polymer blend films of poly(9,9-di-n-dodecylfluorenyl-2,7-diyl) (PFD) and π-conjugated triphenylamine molecules. The PLECs have bulk heterojunction structures composed of van der Waals interfaces between the PFD segments and the amine molecules. White-light electroluminescence (EL) can be achieved via light-mixing of the blue exciton emission from PFD and long-wavelength exciplex emission from excited complexes consisting of PFD segments (acceptors (As)) and the amine molecules (donors (Ds)). Precise control of the distances between the PFD and the amine molecules, affected through proper choice of the concentrations of PFD, amine molecules, and polymeric solid electrolytes, is critical to realizing white emission. White PLECs can be fabricated with PFD and amine molecules whose highest occupied molecular orbital (HOMO) levels range from -5.3 eV to -5.0 eV. Meanwhile, PLECs fabricated with amine molecules whose HOMO levels are lower than -5.6 eV cannot produce exciplex emission. The distances between the PFD and amine molecules of the exciplexes appear to be larger than 0.4 nm. These experimental data are explained by perturbation theory using the charge-transfer state ( A - D + ), the locally excited state ( A * D ), which is assumed to be the locally excited acceptor state in which there is no interaction with the donor molecule; and the energy gap between the HOMO levels of the PFD and the amine molecules. Color-stable white PLECs were fabricated using 4,4',4″-tris[N-(2-naphthyl)-N-phenylamino]-triphenylamine, which has a HOMO level of -5.2 eV, as the amine molecule, and the color stability of the device is a function of the fact that PFD forms exciplexes with these molecules.

High-throughput shotgun lipidomics by quadrupole time-of-flight mass spectrometry

DEFF Research Database (Denmark)

Ståhlman, Marcus; Ejsing, Christer S.; Tarasov, Kirill

2009-01-01

Technological advances in mass spectrometry and meticulous method development have produced several shotgun lipidomic approaches capable of characterizing lipid species by direct analysis of total lipid extracts. Shotgun lipidomics by hybrid quadrupole time-of-flight mass spectrometry allows...... the absolute quantification of hundreds of molecular glycerophospholipid species, glycerolipid species, sphingolipid species and sterol lipids. Future applications in clinical cohort studies demand detailed lipid molecule information and the application of high-throughput lipidomics platforms. In this review...... we describe a novel high-throughput shotgun lipidomic platform based on 96-well robot-assisted lipid extraction, automated sample infusion by mircofluidic-based nanoelectrospray ionization, and quantitative multiple precursor ion scanning analysis on a quadrupole time-of-flight mass spectrometer...

Hyperfine-Structure-Induced Depolarization of Impulsively Aligned I2 Molecules

Science.gov (United States)

Thomas, Esben F.; Søndergaard, Anders A.; Shepperson, Benjamin; Henriksen, Niels E.; Stapelfeldt, Henrik

2018-04-01

A moderately intense 450 fs laser pulse is used to create rotational wave packets in gas phase I2 molecules. The ensuing time-dependent alignment, measured by Coulomb explosion imaging with a delayed probe pulse, exhibits the characteristic revival structures expected for rotational wave packets but also a complex nonperiodic substructure and decreasing mean alignment not observed before. A quantum mechanical model attributes the phenomena to coupling between the rotational angular momenta and the nuclear spins through the electric quadrupole interaction. The calculated alignment trace agrees very well with the experimental results.

Light incoupling in small molecule organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Allinger, Nikola; Meiss, Jan; Riede, Moritz; Leo, Karl [Institut fuer Angewandte Photophysik, Technische Universitaet Dresden, 01069 Dresden (Germany); Gnehr, Wolf-Michael [Heliatek GmbH, Liebigstrasse 26, 01187 Dresden (Germany)

2008-07-01

Light incoupling is an essential topic for optimization of organic solar cells. In our group, we examine light incoupling of different kinds of transparent contacting materials as well as external dielectric coatings, using optical simulation of thin film systems and experimental methods. Thin films of small molecules are prepared by thermal evaporation in a multi-chamber UHV system. Complex refraction indices of various materials are calculated from reflection and transmission measurements of monolayers. For modelling of optical properties of thin film systems, we developed a numerical simulation program based on the transfer matrix method. The cell structures investigated consist of nanolayers of small molecules, using ZnPc/C60 as an acceptor-donor heterojunction. As contact materials, we compare the expensive standard material indium tin oxide (ITO) with more cost-efficient alternatives like thin Ag layers or spin-coated layers of the polymer PEDOT:PSS, and discuss the resulting cell properties. Additional dielectric layers of varying materials, like tris(8-hydroxy-quinolinate)-aluminum (Alq3) or N,N'-tetrakis(4-methoxyphenyl)-benzidine (MeO-TPD), are deposited on top of the stack and their influence on cell efficiencies is investigated.

Superconducting magnetic quadrupole

Energy Technology Data Exchange (ETDEWEB)

Kim, J.W.; Shepard, K.W.; Nolen, J.A.

1995-08-01

A design was developed for a 350 T/m, 2.6-cm clear aperture superconducting quadrupole focussing element for use in a very low q/m superconducting linac as discussed below. The quadrupole incorporates holmium pole tips, and a rectangular-section winding using standard commercially-available Nb-Ti wire. The magnet was modeled numerically using both 2D and 3D codes, as a basis for numerical ray tracing using the quadrupole as a linac element. Components for a prototype singlet are being procured during FY 1995.

Exotic helium molecules

International Nuclear Information System (INIS)

Portier, M.

2007-12-01

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range 4 He 2 (2 3 S 1 -2 3 P 0 ) molecule, or a 4 He 2 (2 3 S 1 -2 3 S 1 ) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 ± 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range 4 He 2 (2 3 S 1 -2 3 S 1 ) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime τ = (1.4 ± 0.3) μs is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

Modulation of intermolecular interactions in single-molecule magnets

Science.gov (United States)

Heroux, Katie Jeanne

Polynuclear manganese clusters exhibiting interesting magnetic and quantum properties have been an area of intense research since the discovery of the first single-molecule magnet (SMM) in 1993. These molecules, below their blocking temperature, function as single-domain magnetic particles which exhibit classical macroscale magnetic properties as well as quantum mechanical phenomena such as quantum tunnelling of magnetization (QTM) and quantum phase interference. The union of classical and quantum behavior in these nanomaterials makes SMMs ideal candidates for high-density information storage and quantum computing. However, environmental coupling factors (nuclear spins, phonons, neighboring molecules) must be minimized if such applications are ever to be fully realized. The focus of this work is making small structural changes in well-known manganese SMMs in order to drastically enhance the overall magnetic and quantum properties of the system. Well-isolated molecules of high crystalline quality should lead to well-defined energetic and spectral properties as well. An advantage of SMMs over bulk magnetic materials is that they can be chemically altered from a "bottom-up" approach providing a synthetic tool for tuning magnetic properties. This systematic approach is utilized in the work presented herein by incorporating bulky ligands and/or counterions to "isolate" the magnetic core of [Mn4] dicubane SMMs. Reducing intermolecular interactions in the crystal lattice (neighboring molecules, solvate molecules, dipolar interactions) is an important step toward developing viable quantum computing devices. Detailed bulk magnetic studies as well as single crystal magnetization hysteresis and high-frequency EPR studies on these sterically-isolated complexes show enhanced, and sometimes even unexpected, quantum dynamics. The importance of intra- and intermolecular interactions remains a common theme throughout this work, extending to other SMMs of various topology including

Manipulating molecule-substrate exchange interactions via graphene

Science.gov (United States)

Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab

2013-03-01

Organometallic molecules with a 3d metal center carrying a spin offers many interesting properties, e.g., existence of multiple spin states. A recent interest has been in understanding the magnetic exchange interaction between these organometallic molecules and magnetic substrates both from experiments and theory. In this work, we will show by calculations based on density functional theory how the exchange interaction is mediated via graphene in a geometry containing iron porphyrin(FeP)/graphene/Ni(111). The exchange interaction varies from a ferromagnetic to an antiferromagnetic one depending on the lattice site and type of defect in the graphene lattice along with the switching of spin state of Fe in FeP between S=1 and S=2, which should be detectable by x-ray magnetic circular dichroism experiments. This scenario of complex magnetic couplings with large magnetic moments may offer a unique spintronic logic device. We acknowledge financial support from the Swedish Research Council, KAW foundation and the ERC(project 247062 - ASD).

Stabilisation and precision pointing quadrupole magnets in the Compact Linear Collider (CLIC)

CERN Document Server

Janssens, Stef; Linde, Frank; van den Brand, Jo; Bertolini, Alessandro; Artoos, Kurt

This thesis describes the research done to provide stabilisation and precision positioning for the main beam quadrupole magnets of the Compact Linear Collider CLIC. The introduction describes why new particle accelerators are needed to further the knowledge of our universe and why they are linear. A proposed future accelerator is the Compact Linear Collider (CLIC) which consists of a novel two beam accelerator concept. Due to its linearity and subsequent single pass at the interaction point, this new accelerator requires a very small beam size at the interaction point, in order to increase collision effectiveness. One of the technological challenges, to obtain these small beam sizes at the interaction point, is to keep the quadrupole magnets aligned and stable to 1.5 nm integrated r.m.s. in vertical and 5 nm integrated root mean square (r.m.s.) in lateral direction. Additionally there is a proposal to create an intentional offset (max. 50 nm every 20 ms with a precision of +/- 1 nm), for several quadrupole ma...

Interaction-induced light scattering in a fullerene surrounded by an ultrathin argon 'atmosphere': Molecular dynamics simulation

International Nuclear Information System (INIS)

Dawid, A.; Gburski, Z.

2003-01-01

Using the molecular dynamics method, we have calculated the interaction-induced polarizability correlation functions and spectra of the depolarized light scattering in a C 60 fullerene molecule surrounded by an argon atmosphere. The liquid phase of (C 60 )Ar n (n=36, 40, 44) system has been studied

Controlling single-molecule junction conductance by molecular interactions

Science.gov (United States)

Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

2015-01-01

For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

Muon, positron and antiproton interactions with atoms and molecules

Energy Technology Data Exchange (ETDEWEB)

Armour, Edward A G, E-mail: edward.armour@nottingham.ac.u [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

2010-04-01

In this paper, a description is given of some interesting processes involving the interaction of a muon, a positron, or an antiproton with atoms and molecules. The process involving a muon is the resonant formation of the muonic molecular ion, dt{mu}, in the muon catalyzed fusion cycle. In the case of a positron, the process considered is positron annihilation in low-energy positron scattering by the hydrogen molecule. The antiproton is considered as the nucleus of an antihydrogen atom interacting with simple atoms. Attention is given to antiproton annihilation through the strong interaction. An outline is given of proposed tests of fundamental physics to be carried out using antihydrogen.

Quadrupole beam-based alignment in the RHIC interaction regions

International Nuclear Information System (INIS)

Ziegler, J.; Satogata, T.

2011-01-01

Continued beam-based alignment (BBA) efforts have provided significant benefit to both heavy ion and polarized proton operations at RHIC. Recent studies demonstrated previously unknown systematic beam position monitor (BPM) offset errors and produced accurate measurements of individual BPM offsets in the experiment interaction regions. Here we describe the algorithm used to collect and analyze data during the 2010 and early 2011 RHIC runs and the results of these measurements. BBA data has been collected over the past two runs for all three of the active experimental IRs at RHIC, updating results from the 2005 run which were taken with incorrectly installed offsets. The technique was successfully applied to expose a systematic misuse of the BPM survey offsets in the control system. This is likely to benefit polarized proton operations as polarization transmission through acceleration ramps depends on RMS orbit control in the arcs, but a quantitative understanding of its impact is still under active investigation. Data taking is ongoing as are refinements to the BBA technique aimed at reducing systematic errors and properly accounting for dispersive effects. Further development may focus on non-triplet BPMs such as those located near snakes, or arc quadrupoles that do not have individually shunted power supplies (a prerequisite for the current method) and as such, will require a modified procedure.

The first LHC insertion quadrupole

CERN Multimedia

2004-01-01

An important milestone was reached in December 2003 at the CERN Magnet Assembly Facility. The team from the Accelerator Technology - Magnet and Electrical Systems group, AT-MEL, completed the first special superconducting quadrupole for the LHC insertions which house the experiments and major collider systems. The magnet is 8 metres long and contains two matching quadrupole magnets and an orbit corrector, a dipole magnet, used to correct errors in quadrupole alignment. All were tested in liquid helium and reached the ultimate performance criteria required for the LHC. After insertion in the cryostat, the superconducting magnet will be installed as the Q9 quadrupole in sector 7-8, the first sector of the LHC to be put in place in 2004. Members of the quadrupole team, from the AT-MEL group, gathered around the Q9 quadrupole at its inauguration on 12 December 2003 in building 181.

Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dip N. [State University of New York at Albany, Department of Physics (United States); Dubey, Archana [University of Central Florida, Department of Physics (United States); Pink, R. H. [State University of New York at Albany, Department of Physics (United States); Scheicher, R. H. [Uppsala University, Condensed Matter Theory Group, Department of Physics and Materials Science (Sweden); Badu, S. R. [State University of New York at Albany, Department of Physics (United States); Nagamine, K. [University of California at Riverside, Department of Physics (United States); Torikai, E. [Yamanashi University, Department of Electrical Engineering (Japan); Saha, H. P.; Chow, Lee [University of Central Florida, Department of Physics (United States); Huang, M. B. [State University of New York at Albany, College of Nanoscale Science and Engineering (United States); Das, T. P., E-mail: tpd56@albany.edu [State University of New York at Albany, Department of Physics (United States)

2008-01-15

We have studied the nuclear quadrupole interactions (NQI) of the {sup 14}N, {sup 17}O and {sup 2}H nuclei in the nucleobases cytosine, adenine, guanine and thymine in the free state as well as when they are bonded to the sugar ring in DNA, simulated through a CH{sub 3} group attached to the nucleobases. The nucleobase uracil, which replaces thymine in RNA, has also been studied. Our results show that there are substantial indirect effects of the bonding with the sugar group in the nucleic acids on the NQI parameters e{sup 2}qQ/h and {eta}. It is hoped that measurements of these NQI parameters in DNA will be available in the future to compare with our predictions. Our results provide the conclusion that for any property dependent on the electronic structures of the nucleic acids, the effects of the bonding between the nucleobases and the nucleic acid backbones have to be included.

Quadrupole shunt experiments at SPEAR

International Nuclear Information System (INIS)

Corbett, W.J.; Hettel, R.O.; Nuhn, H.-D.

1996-05-01

As part of a program to align and stabilize the SPEAR storage ring, a switchable shunt resistor was installed on each quadrupole to bypass a small percentage of the magnet current. The impact of a quadrupole shunt is to move the electron beam orbit in proportion to the off-axis beam position at the quadrupole, and to shift the betatron tune. Initially, quadrupole shunts in SPEAR were used to position the electron beam in the center of the quadrupoles. This provided readback offsets for nearby beam position monitors, and helped to steer the photon beams with low-amplitude corrector currents. The shunt-induced tune shift measurements were then processed in MAD to derive a lattice model

Quadrupole moment and a proton halo structure in 17F (Iπ = 5/2+)

International Nuclear Information System (INIS)

Zhou Dongmei; Zheng Yongnan; Yuan Daqing; Xizhen, Zhang; Zuo Yi; Minamisono, T; Matsuta, M; Fukuda, M; Mihara, M; Zhang Chunlei; Zhiqiang, Wang; Du Enpeng; Luo Hailong; Xu Guoji; Zhu Shengyun

2007-01-01

The quadrupole moment of light nuclei 17 F in the ground state (I π = 5/2 + ) is measured by the β-NMR method. The effective charge of the last proton in a d 5/2 orbit for 17 F is extracted from the measured quadrupole moment Q( 17 F) divided by the quadrupole moment Q sp calculated with a single particle model. A proton effective charge of e eff p = 1.12 ± 0.07e is obtained, which is in agreement with that given by a particle-vibration coupling model calculation within the experimental error. The present value of the proton effective charge is strong evidence for the existence of a proton skin in 17 F (I π = 5/2 + )

Ab initio and Gordon--Kim intermolecular potentials for two nitrogen molecules

International Nuclear Information System (INIS)

Ree, F.H.; Winter, N.W.

1980-01-01

Both ab initio MO--LCAO--SCF and the electron-gas (or Gordon--Kim) methods have been used to compute the intermolecular potential (Phi) of N 2 molecules for seven different N 2 --N 2 orientations. The ab initio calculations were carried out using a [4s3p] contracted Gaussian basis set with and without 3d polarization functions. The larger basis set provides adequate results for Phi>0.002 hartree or intermolecular separations less than 6.5--7 bohr. We use a convenient analytic expression to represent the ab initio data in terms of the intermolecular distance and three angles defining the orientations of the two N 2 molecules. The Gordon--Kim method with Rae's self-exchange correction yields Phi, which agrees reasonably well over a large repulsive range. However, a detailed comparison of the electron kinetic energy contributions shows a large difference between the ab initio and the Gordon--Kim calculations. Using the ab initio data we derive an atom--atom potential of the two N 2 molecules. Although this expression does not accurately fit the data at some orientations, its spherical average agrees with the corresponding average of the ab initio Phi remarkably well. The spherically averaged ab initio Phi is also compared with the corresponding quantities derived from experimental considerations. The approach of the ab initio Phi to the classical quadrupole--quadrupole interaction at large intermolecular separation is also discussed

Quadrupole moments as measures of electron correlation in two-electron atoms

International Nuclear Information System (INIS)

Ceraulo, S.C.; Berry, R.S.

1991-01-01

We have calculated quadrupole moments, Q zz , of helium in several of its doubly excited states and in two of its singly excited Rydberg states, and of the alkaline-earth atoms Be, Mg, Ca, Sr, and Ba in their ground and low-lying excited states. The calculations use well-converged, frozen-core configuration-interaction (CI) wave functions and, for interpretive purposes, Hartree-Fock (HF) atomic wave functions and single-term, optimized, molecular rotor-vibrator (RV) wave functions. The quadrupole moments calculated using RV wave functions serve as a test of the validity of the correlated, moleculelike model, which has been used to describe the effects of electron correlation in these two-electron and pseudo-two-electron atoms. Likewise, the quadrupole moments calculated with HF wave functions test the validity of the independent-particle model. In addition to their predictive use and their application to testing simple models, the quadrupole moments calculated with CI wave functions reveal previously unavailable information about the electronic structure of these atoms. Experimental methods by which these quadrupole moments might be measured are also discussed. The quadrupole moments computed from CI wave functions are presented as predictions; measurements of Q zz have been made for only two singly excited Rydberg states of He, and a value of Q zz has been computed previously for only one of the states reported here. We present these results in the hope of stimulating others to measure some of these quadrupole moments

Reactive oxygen species, essential molecules, during plant-pathogen interactions.

Science.gov (United States)

Camejo, Daymi; Guzmán-Cedeño, Ángel; Moreno, Alexander

2016-06-01

Reactive oxygen species (ROS) are continually generated as a consequence of the normal metabolism in aerobic organisms. Accumulation and release of ROS into cell take place in response to a wide variety of adverse environmental conditions including salt, temperature, cold stresses and pathogen attack, among others. In plants, peroxidases class III, NADPH oxidase (NOX) locates in cell wall and plasma membrane, respectively, may be mainly enzymatic systems involving ROS generation. It is well documented that ROS play a dual role into cells, acting as important signal transduction molecules and as toxic molecules with strong oxidant power, however some aspects related to its function during plant-pathogen interactions remain unclear. This review focuses on the principal enzymatic systems involving ROS generation addressing the role of ROS as signal molecules during plant-pathogen interactions. We described how the chloroplasts, mitochondria and peroxisomes perceive the external stimuli as pathogen invasion, and trigger resistance response using ROS as signal molecule. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Influence of mechanical vibrations on the field quality measurements of LHC interaction region quadrupole magnets

CERN Document Server

Di Marco, J; Schlabach, P; Sylvester, C D; Tompkins, J C; Krzywinski, J

2000-01-01

The high gradient quadrupole magnets being developed by the US-LHC Accelerator Project for the LHC Interaction Regions have stringent field quality requirements. The field quality of these magnets will be measured using a rotating coil system presently under development. Mechanical vibrations of the coil during field quality measurements are of concern because such vibrations can introduce systematic errors in measurement results. This paper presents calculations of the expected influence of vibrations on field quality measurements and a technique to measure vibrations present in data acquired with standard "tangential-style" probes. Measured vibrations are reported and compared to simulations. Limits on systematic errors in multipole measurements are discussed along with implications for probe and measurement system design. (3 refs).

Multiplex single-molecule interaction profiling of DNA-barcoded proteins.

Science.gov (United States)

Gu, Liangcai; Li, Chao; Aach, John; Hill, David E; Vidal, Marc; Church, George M

2014-11-27

In contrast with advances in massively parallel DNA sequencing, high-throughput protein analyses are often limited by ensemble measurements, individual analyte purification and hence compromised quality and cost-effectiveness. Single-molecule protein detection using optical methods is limited by the number of spectrally non-overlapping chromophores. Here we introduce a single-molecular-interaction sequencing (SMI-seq) technology for parallel protein interaction profiling leveraging single-molecule advantages. DNA barcodes are attached to proteins collectively via ribosome display or individually via enzymatic conjugation. Barcoded proteins are assayed en masse in aqueous solution and subsequently immobilized in a polyacrylamide thin film to construct a random single-molecule array, where barcoding DNAs are amplified into in situ polymerase colonies (polonies) and analysed by DNA sequencing. This method allows precise quantification of various proteins with a theoretical maximum array density of over one million polonies per square millimetre. Furthermore, protein interactions can be measured on the basis of the statistics of colocalized polonies arising from barcoding DNAs of interacting proteins. Two demanding applications, G-protein coupled receptor and antibody-binding profiling, are demonstrated. SMI-seq enables 'library versus library' screening in a one-pot assay, simultaneously interrogating molecular binding affinity and specificity.

From isolated light-harvesting complexes to the thylakoid membrane: a single-molecule perspective

Science.gov (United States)

Gruber, J. Michael; Malý, Pavel; Krüger, Tjaart P. J.; Grondelle, Rienk van

2018-01-01

The conversion of solar radiation to chemical energy in plants and green algae takes place in the thylakoid membrane. This amphiphilic environment hosts a complex arrangement of light-harvesting pigment-protein complexes that absorb light and transfer the excitation energy to photochemically active reaction centers. This efficient light-harvesting capacity is moreover tightly regulated by a photoprotective mechanism called non-photochemical quenching to avoid the stress-induced destruction of the catalytic reaction center. In this review we provide an overview of single-molecule fluorescence measurements on plant light-harvesting complexes (LHCs) of varying sizes with the aim of bridging the gap between the smallest isolated complexes, which have been well-characterized, and the native photosystem. The smallest complexes contain only a small number (10-20) of interacting chlorophylls, while the native photosystem contains dozens of protein subunits and many hundreds of connected pigments. We discuss the functional significance of conformational dynamics, the lipid environment, and the structural arrangement of this fascinating nano-machinery. The described experimental results can be utilized to build mathematical-physical models in a bottom-up approach, which can then be tested on larger in vivo systems. The results also clearly showcase the general property of biological systems to utilize the same system properties for different purposes. In this case it is the regulated conformational flexibility that allows LHCs to switch between efficient light-harvesting and a photoprotective function.

Mechanical Design of a Second Generation LHC IR Quadrupole

International Nuclear Information System (INIS)

Caspi, S.; Bartlett, S.E.; Dietderich, D.R.; Ferracin, P.; Gourlay, S.A.; Hafalia, R.R.; Hannaford, C.R.; Lietzke, A.F.; McInturff, A.D.; Sabbi, G.; Scanlan, R.M.

2003-01-01

One of the proposed options to increase the LHC luminosity is the replacement of the existing inner triplets at the Interaction Regions with new low-beta larger aperture quadrupoles operating at the same gradient. Lawrence Berkeley National Laboratory (LBNL) is carrying out preliminary studies of a large-bore Nb 3 Sn quadrupole. The mechanical design presents a support structure based on the use of keys and bladders without self-supporting collars. This technology has been proven effective in several successful common coil Nb 3 Sn dipoles built at LBNL, and it is for the first time applied to a cos(2(var t heta)) design. In this paper we present a detailed analysis of the quadrupole mechanical behavior, demonstrating the possibility of delivering, through this method, well-controlled coil precompression during assembly, cool-down and excitation. The study has been performed with the finite element program ANSYS

Quadrupole shunt experiments at SPEAR

International Nuclear Information System (INIS)

Corbett, W.J.; Hettel, R.O.; Nuhn, H.

1997-01-01

As part of a program to align and stabilize the SPEAR storage ring, a switchable shunt resistor was installed on each quadrupole to bypass a small percentage of the magnet current. The impact of a quadrupole shunt is to move the electron beam orbit in proportion to the off-axis beam position at the quadrupole and to shift the betatron tune. Initially, quadrupole shunts in SPEAR were used to position the electron beam in the center of the quadrupoles. This provided readback offsets for nearby beam position monitors and helped to steer the photon beams with low-amplitude corrector currents. The shunt-induced tune shift measurements were then processed in MAD to derive a lattice model. copyright 1997 American Institute of Physics

Electric quadrupole strength in nuclei

International Nuclear Information System (INIS)

Kirson, M.W.

1979-01-01

Isoscalar electric quadrupole strength distributions in nuclei are surveyed, and it is concluded that the strength is shared, in most cases, roughly equally between low-lying transitions and the giant quadrupole state. The same is not true of the isovector case. A simple extension of the schematic model gives a remarkably successul description of the data, and emphasizes the vital importance of the coupling between high-lying and low-lying quadrupole modes. The standadrd simple representation of the giant quadrupole resonance as produced by operating on the nuclear ground state with the quadrupole transition operator is not applicable to the isoscalar case. It is suggested that giant resonances fall into broad classes of similar states, with considerable qualitative differences between the distinct classes. (author)

Hybrid molecule/superconductor assemblies

International Nuclear Information System (INIS)

McDevitt, J.T.; Haupt, S.G.; Riley, D.R.; Zhao, J.; Zhou, J.P., Jones, C.

1993-01-01

The fabrication of electronic devices from molecular materials has attracted much attention recently. Schottky diodes, molecular transistors, metal-insulator-semiconductor diodes, MIS field effect transistors and light emitting diodes have all been prepared utilizing such substances. The active elements in these devices have been constructed by depositing the molecular phase onto the surface of a metal, semiconductor or insulating substrate. With the recent discovery of high temperature superconductivity, new opportunities now exist for the study of molecule/superconductor interactions as well as for the construction of novel hybrid molecule/superconductor devices. In this paper, methods for preparing the initial two composite molecule/semiconductor devices will be reported. Consequently, light sensors based on dye-coated superconductor junctions as well as molecular switches fashioned from conductive polymer coated superconductor junctions as well as molecular switches fashioned from conductive polymer coated superconductor microbridges will be discussed. Moreover, molecule/superconductor energy and electron transfer phenomena will be illustrated also for the first time

Dressed molecules in resonantly interacting ultracold atomic Fermi gases

NARCIS (Netherlands)

Falco, G.M.; Stoof, H.T.C.

2007-01-01

We present a detailed analysis of the two-channel atom-molecule effective Hamiltonian for an ultracold two-component homogeneous Fermi gas interacting near a Feshbach resonance. We particularly focus on the two-body and many-body properties of the dressed molecules in such a gas. An exact result

Multiply excited molecules produced by photon and electron interactions

International Nuclear Information System (INIS)

Odagiri, T.; Kouchi, N.

2006-01-01

The photon and electron interactions with molecules resulting in the formation of multiply excited molecules and the subsequent decay are subjects of great interest because the independent electron model and Born-Oppenheimer approximation are much less reliable for the multiply excited states of molecules than for the ground and lower excited electronic states. We have three methods to observe and investigate multiply excited molecules: 1) Measurements of the cross sections for the emission of fluorescence emitted by neutral fragments in the photoexcitation of molecules as a function of incident photon energy [1-3], 2) Measurements of the electron energy-loss spectra tagged with the fluorescence photons emitted by neutral fragments [4], 3) Measurements of the cross sections for generating a pair of photons in absorption of a single photon by a molecule as a function of incident photon energy [5-7]. Multiply excited states degenerate with ionization continua, which make a large contribution in the cross section curve involving ionization processes. The key point of our methods is hence that we measure cross sections free from ionization. The feature of multiply excited states is noticeable in such a cross section curve. Recently we have measured: i) the cross sections for the emission of the Lyman- fluorescence in the photoexcitation of CH 4 as a function of incident photon energy in the range 18-51 eV, ii) the electron energy-loss spectrum of CH 4 tagged with the Lyman-photons at 80 eV incident electron energy and 10 electron scattering angle in the range of the energy loss 20-45 eV, in order to understand the formation and decay of the doubly excited methane in photon and electron interactions. [8] The results are summarized in this paper and the simultaneous excitation of two electrons by electron interaction is compared with that by photon interaction in terms of the oscillator strength. (authors)

The rotationally induced quadrupole pair field in the particle-rotor model

International Nuclear Information System (INIS)

Almberger, J.

1980-04-01

A formalism is developed which makes it possible to consider the influence of the rotationally induced quadrupole pair field and corresponding quasi-particle residual interactions within the particle-rotor model. The Y 21 pair field renormalizes both the Coriolis and the recoil interactions. (Auth.)

Variable high gradient permanent magnet quadrupole (QUAPEVA)

Science.gov (United States)

Marteau, F.; Ghaith, A.; N'Gotta, P.; Benabderrahmane, C.; Valléau, M.; Kitegi, C.; Loulergue, A.; Vétéran, J.; Sebdaoui, M.; André, T.; Le Bec, G.; Chavanne, J.; Vallerand, C.; Oumbarek, D.; Cosson, O.; Forest, F.; Jivkov, P.; Lancelot, J. L.; Couprie, M. E.

2017-12-01

Different applications such as laser plasma acceleration, colliders, and diffraction limited light sources require high gradient quadrupoles, with strength that can reach up to 200 T/m for a typical 10 mm bore diameter. We present here a permanent magnet based quadrupole (so-called QUAPEVA) composed of a Halbach ring and surrounded by four permanent magnet cylinders. Its design including magnetic simulation modeling enabling us to reach 201 T/m with a gradient variability of 45% and mechanical issues are reported. Magnetic measurements of seven systems of different lengths are presented and confirmed the theoretical expectations. The variation of the magnetic center while changing the gradient strength is ±10 μm. A triplet of QUAPEVA magnets is used to efficiently focus a beam with large energy spread and high divergence that is generated by a Laser Plasma Acceleration source for a free electron laser demonstration and has enabled us to perform beam based alignment and control the dispersion of the beam.

Electron interactions with polar molecules

International Nuclear Information System (INIS)

Garrett, W.R.

1981-01-01

A description is given of a number of the features of discrete and continuous spectra of electrons interacting with polar molecules. Attention is focused on the extent to which theoretical predictions concerning cross sections, resonances, and bound states are strongly influenced by the various approximations that are so ubiquitous in the treatment of such problems. Similarly, threshold scattering and photodetachment processes are examined for the case of weakly bound dipole states whose higher members overlap the continuum

Magnetic field measurements of LHC inner triplet quadrupoles fabricated at Fermilab

International Nuclear Information System (INIS)

Velev, G.V.; Bossert, R.; Carcagno, R.; DiMarco, J.; Feher, S.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Orris, D.; Schlabach, P.; Strait, J.

2006-01-01

Fermilab, as part of the US-LHC Accelerator Project, is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 5.5 m long magnets are designed to operate in superfluid helium at 1.9 K with a nominal gradient of 205 T/m in the 70 mm bore. Two quadrupoles separated by a dipole orbit corrector in a single cryogenic assembly comprise the Q2 optical elements of the final focus triplets in the LHC interaction regions. The field quality of the quadrupoles is measured at room temperature during construction of the cold masses as well as during cold testing of the cryogenic assembly. We summarize data from the series measurements of the magnets and discuss various topics of interest

Magnetic field measurements of LHC inner triplet quadrupoles fabricated at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Velev, G.V.; Bossert, R.; Carcagno, R.; DiMarco, J.; Feher, S.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Orris, D.; Schlabach, P.; Strait, J.; /Fermilab

2006-08-01

Fermilab, as part of the US-LHC Accelerator Project, is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 5.5 m long magnets are designed to operate in superfluid helium at 1.9 K with a nominal gradient of 205 T/m in the 70 mm bore. Two quadrupoles separated by a dipole orbit corrector in a single cryogenic assembly comprise the Q2 optical elements of the final focus triplets in the LHC interaction regions. The field quality of the quadrupoles is measured at room temperature during construction of the cold masses as well as during cold testing of the cryogenic assembly. We summarize data from the series measurements of the magnets and discuss various topics of interest.

Detection of quadrupole relaxation in an optically pumped cesium vapour

Energy Technology Data Exchange (ETDEWEB)

Bernabeu, E; Tornos, J

1985-10-01

The relaxation of quadrupole orientation induced by means of optical pumping in a cesium vapour is experimentally studied, and the results are compared to the theoretical predictions. The optical detection process of this type of orientation is also discussed as a function of the polarization and spectral profile of the detection light.

SU(6) quadrupole phonon model for even and odd nuclei and the SU(3) limit

Energy Technology Data Exchange (ETDEWEB)

Paar, V; Brant, S [Zagreb Univ. (Yugoslavia). Prirodoslovno Matematicki Fakultet; Canto, L F [Rio de Janeiro Univ. (Brazil). Inst. de Fisica; Leander, G [Lund Inst. of Tech. (Sweden). Dept. of Mathematical Physics; Oak Ridge National Lab., TN (USA)); Vouk, M [Zagreb Univ. (Yugoslavia). Computing Centre SRCE

1982-04-05

Analogous to the equivalence between the SU(6) quadrupole-phonon model (TQM) and the interacting boson model (IBM), the equivalence is pointed out for odd systems between the SU(6) particle quadrupole-phonon coupling model (PTQM) and the interacting boson-fermion model (IBFM). PTQM is formulated starting from the Dyson representation for the odd system. Different aspects of the SU(3) limit of TQM and PTQM are studied; the quadrupole-phonon block structure of rotational bands in even and odd nuclei and analytic expressions based on the coherent state; signature effects generated in PTQM; electromagnetic properties and correction factors for PTQM; overlaps of the PTQM analogs of Nilsson states with Coriolis-coupled Nilsson states and the relation to the rotational model representation.

Proteinaceous molecules mediating Bifidobacterium-host interactions

Directory of Open Access Journals (Sweden)

Lorena Ruiz

2016-08-01

Full Text Available Bifidobacteria are commensal microoganisms found in the gastrointestinal tract.Several strains have been attributed beneficial traits at local and systemic levels, through pathogen exclusion or immune modulation, among other benefits. This has promoted a growing industrial and scientific interest in bifidobacteria as probiotic supplements. However, the molecular mechanisms mediating this cross-talk with the human host remain unknown. High-throughput technologies, from functional genomics to transcriptomics, proteomics and interactomics coupled to the development of both in vitro and in vivo models to study the dynamics of the intestinal microbiota and their effects on host cells, have eased the identification of key molecules in these interactions. Numerous secreted or surface-associated proteins or peptides have been identified as potential mediators of bifidobacteria-host interactions and molecular cross-talk, directly participating in sensing environmental factors, promoting intestinal colonization or mediating a dialogue with mucosa-associated immune cells. On the other hand, bifidobacteria induce the production of proteins in the intestine, by epithelial or immune cells, and other gut bacteria, which are key elements in orchestrating interactions among bifidobacteria, gut microbiota and host cells. This review aims to give a comprehensive overview on proteinaceous molecules described and characterized to date, as mediators of the dynamic interplay between bifidobacteria and the human host, providing a framework to identify knowledge gaps and future research needs.

Rapid Quadrupole-Time-of-Flight Mass Spectrometry Method Quantifies Oxygen-Rich Lignin Compound in Complex Mixtures

Science.gov (United States)

Boes, Kelsey S.; Roberts, Michael S.; Vinueza, Nelson R.

2018-03-01

Complex mixture analysis is a costly and time-consuming task facing researchers with foci as varied as food science and fuel analysis. When faced with the task of quantifying oxygen-rich bio-oil molecules in a complex diesel mixture, we asked whether complex mixtures could be qualitatively and quantitatively analyzed on a single mass spectrometer with mid-range resolving power without the use of lengthy separations. To answer this question, we developed and evaluated a quantitation method that eliminated chromatography steps and expanded the use of quadrupole-time-of-flight mass spectrometry from primarily qualitative to quantitative as well. To account for mixture complexity, the method employed an ionization dopant, targeted tandem mass spectrometry, and an internal standard. This combination of three techniques achieved reliable quantitation of oxygen-rich eugenol in diesel from 300 to 2500 ng/mL with sufficient linearity (R2 = 0.97 ± 0.01) and excellent accuracy (percent error = 0% ± 5). To understand the limitations of the method, it was compared to quantitation attained on a triple quadrupole mass spectrometer, the gold standard for quantitation. The triple quadrupole quantified eugenol from 50 to 2500 ng/mL with stronger linearity (R2 = 0.996 ± 0.003) than the quadrupole-time-of-flight and comparable accuracy (percent error = 4% ± 5). This demonstrates that a quadrupole-time-of-flight can be used for not only qualitative analysis but also targeted quantitation of oxygen-rich lignin molecules in complex mixtures without extensive sample preparation. The rapid and cost-effective method presented here offers new possibilities for bio-oil research, including: (1) allowing for bio-oil studies that demand repetitive analysis as process parameters are changed and (2) making this research accessible to more laboratories. [Figure not available: see fulltext.

Exploring in vivo cholesterol-mediated interactions between activated EGF receptors in plasma membrane with single-molecule optical tracking

International Nuclear Information System (INIS)

Lin, Chien Y.; Huang, Jung Y.; Lo, Leu-Wei

2016-01-01

The first step in many cellular signaling processes occurs at various types of receptors in the plasma membrane. Membrane cholesterol can alter these signaling pathways of living cells. However, the process in which the interaction of activated receptors is modulated by cholesterol remains unclear. In this study, we measured single-molecule optical trajectories of epidermal growth factor receptors moving in the plasma membranes of two cancerous cell lines and one normal endothelial cell line. A stochastic model was developed and applied to identify critical information from single-molecule trajectories. We discovered that unliganded epidermal growth factor receptors may reside nearby cholesterol-riched regions of the plasma membrane and can move into these lipid domains when subjected to ligand binding. The amount of membrane cholesterol considerably affects the stability of correlated motion of activated epidermal growth factor receptors. Our results provide single-molecule evidence of membrane cholesterol in regulating signaling receptors. Because the three cell lines used for this study are quite diverse, our results may be useful to shed light on the mechanism of cholesterol-mediated interaction between activated receptors in live cells

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

International Nuclear Information System (INIS)

Poleshchuk, O. K.; Branchadell, V.; Ritter, R. A.; Fateev, A. V.

2008-01-01

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

Energy Technology Data Exchange (ETDEWEB)

Poleshchuk, O. K., E-mail: poleshch@tspu.edu.ru [Tomsk State Pedagogical University (Russian Federation); Branchadell, V. [Universitat Autonoma de Barcelona, Departament de Quimica (Spain); Ritter, R. A.; Fateev, A. V. [Tomsk State Pedagogical University (Russian Federation)

2008-01-15

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

SPS Quadrupole Magnets

CERN Multimedia

1974-01-01

A stack of SPS Quadrupole Magnets ready for installation in the tunnel. The SPS uses a total of 216 laminated normal conducting lattice quadrupoles with a length of 3.13 m for the core, 3.3 m overall. The F and D quads. have identical characteristics: inscribed circle radius 44 mm, core height and width 800 mm, maximum gradient 20 Tesla/m.

Structural Design Principle of Small-Molecule Organic Semiconductors for Metal-Free, Visible-Light-Promoted Photocatalysis.

Science.gov (United States)

Wang, Lei; Huang, Wei; Li, Run; Gehrig, Dominik; Blom, Paul W M; Landfester, Katharina; Zhang, Kai A I

2016-08-08

Herein, we report on the structural design principle of small-molecule organic semiconductors as metal-free, pure organic and visible light-active photocatalysts. Two series of electron-donor and acceptor-type organic semiconductor molecules were synthesized to meet crucial requirements, such as 1) absorption range in the visible region, 2) sufficient photoredox potential, and 3) long lifetime of photogenerated excitons. The photocatalytic activity was demonstrated in the intermolecular C-H functionalization of electron-rich heteroaromates with malonate derivatives. A mechanistic study of the light-induced electron transport between the organic photocatalyst, substrate, and the sacrificial agent are described. With their tunable absorption range and defined energy-band structure, the small-molecule organic semiconductors could offer a new class of metal-free and visible light-active photocatalysts for chemical reactions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

CLIC Quadrupole Module final report

CERN Document Server

Artoos, K; Mainaud-Durand, H

2013-01-01

Future Linear colliders will need particle beam sizes in the nanometre range. The beam also needs to be stable all along the beam line. The CLIC Main Beam Quadrupole (MBQ) module has been defined and studied. It is meant as a test stand for stabilisation and pre-alignment with a MB Quadrupole. The main topic that has been tackled concerns the Quadrupole magnet stabilisation to 1nm at 1Hz. This is needed to obtain the desired CLIC luminosity of 2.1034 cm-2m-1. The deliverable was demonstrated by procuring a MBQ and by stabilising a powered and cooled CLIC MBQ quadrupole. In addition, the stabilisation system has to be compatible with the pre-alignment procedures. Pre-alignment movement resolution has been demonstrated to 1m. The last step is the combined test of stability with a quadrupole on a CLIC Module with the pre-alignment.

Spectroscopy of light nuclei with realistic NN interaction JISP

International Nuclear Information System (INIS)

Shirokov, A. M.; Vary, J. P.; Mazur, A. I.; Weber, T. A.

2008-01-01

Recent results of our systematic ab initio studies of the spectroscopy of s- and p-shell nuclei in fully microscopic large-scale (up to a few hundred million basis functions) no-core shell-model calculations are presented. A new high-quality realistic nonlocal NN interaction JISP is used. This interaction is obtained in the J-matrix inverse-scattering approach (JISP stands for the J-matrix inverse-scattering potential) and is of the form of a small-rank matrix in the oscillator basis in each of the NN partial waves, providing a very fast convergence in shell-model studies. The current purely two-body JISP model of the nucleon-nucleon interaction JISP16 provides not only an excellent description of two-nucleon data (deuteron properties and np scattering) with χ 2 /datum = 1.05 but also a better description of a wide range of observables (binding energies, spectra, rms radii, quadrupole moments, electromagnetic-transition probabilities, etc.) in all s-and p-shell nuclei than the best modern interaction models combining realistic nucleon-nucleon and three-nucleon interactions.

MQXFS1 Quadrupole Design Report

Energy Technology Data Exchange (ETDEWEB)

Ambrosio, Giorgio [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); et al.

2016-04-14

This report presents the reference design of MQXFS1, the first 1.5 m prototype of the low-beta quadrupoles (MQXF) for the LHC High Luminosity Upgrade. The MQXF quadrupoles have 150 mm aperture, coil peak field of about 12 T, and use $Nb_{3}Sn$ conductor. The design is based on the LARP HQ quadrupoles, which had 120 mm aperture. MQXFS1 has 1st generation cable cross-section and magnetic design.

Superconducting quadrupoles for the SLC final focus

International Nuclear Information System (INIS)

Erickson, R.; Fieguth, T.; Murray, J.J.

1987-01-01

The final focus system of the SLC will be upgraded by replacing the final quadrupoles with higher gradient superconducting magnets positioned closer to the interaction point. The parameters of the new system have been chosen to be compatible with the experimental detectors with a minimum of changes to other final focus components. These parameter choices are discussed along with the expected improvement in SLC performance

Superconducting quadrupoles for the SLC final focus

International Nuclear Information System (INIS)

Erickson, R.; Fieguth, T.; Murray, J.J.

1987-01-01

The final focus system of the SLC will be upgraded by replacing the final quadrupoles with higher gradient supperconducting magnets positioned closer to the interaction point. The parameters of the new system have been chosen to be compatible with the experimental detectors with a minimum of changes to other final focus components. These parameter choices are discussed along with the expected improvement in SLC performance

Light weakly interacting massive particles

Science.gov (United States)

Gelmini, Graciela B.

2017-08-01

Light weakly interacting massive particles (WIMPs) are dark matter particle candidates with weak scale interaction with the known particles, and mass in the GeV to tens of GeV range. Hints of light WIMPs have appeared in several dark matter searches in the last decade. The unprecedented possible coincidence into tantalizingly close regions of mass and cross section of four separate direct detection experimental hints and a potential indirect detection signal in gamma rays from the galactic center, aroused considerable interest in our field. Even if these hints did not so far result in a discovery, they have had a significant impact in our field. Here we review the evidence for and against light WIMPs as dark matter candidates and discuss future relevant experiments and observations.

Interaction between vegetable oil based plasticizer molecules and polyvinyl chloride, and their plasticization effect

Science.gov (United States)

Haryono, Agus; Triwulandari, Evi; Jiang, Pingping

2017-01-01

Plasticizer molecules are low molecular weight compounds that are widely used in polymer industries especially in polyvinyl chloride (PVC) resin. As an additive in PVC resin, the important role of plasticizer molecules is to improve the flexibility and processability of PVC by lowering the glass transition temperature (Tg). However, the commercial plasticizer like di(2-ethylhexyl)phthalate (DEHP) is known to cause liver cancer, at least in laboratory rats. DEHP can leach out from PVC into blood, certain drug solutions and fatty foods, which has been detected in the bloodstream of patients undergoing transfusion. Vegetable oil based plasticizers have some attractive properties such as non-toxic, bio-degradable, good heat and light stability, renewable resources, and environmentally friendly. Here we discussed the main results and development of vegetable oil based plasticizer, and especially palm oil based plasticizer. The interaction between plasticizer and polymer was discussed from the properties of the plasticized polymeric material.

A molecule with small rotational constants containing an atom with a large nuclear quadrupole moment: The microwave spectrum of trans-1-iodoperfluoropropane

Science.gov (United States)

Dewberry, C. T.; Grubbs, G. S.; Cooke, S. A.

2009-09-01

Using pulsed jet chirped-pulse, and cavity-based Fourier transform microwave spectroscopies over 900 transitions have been recorded for the title molecule in the 1-4 GHz and 8-18 GHz regions. The C,C and C carbon-13 species have been observed in natural abundance allowing a substitution structure for the CCC backbone to be determined. Nearly all the transitions observed were either a-type R branches or b-type Q branches. No c-type transitions were observed consistent with only the trans conformer being present under our experimental conditions. The χaa,χbb,χcc and χab components of the iodine nuclear quadrupole coupling tensor have been determined. Of note, several forbidden, ΔJ±2 transitions, and one ΔJ±3 transition were observed with quite reasonable intensity. These observations have been rationalized through considerations of near degeneracies between energy levels connected via a large χab value (≈1 GHz).

Structure formation in bis(terpyridine) derivative adlayers: molecule-substrate versus molecule-molecule interactions.

Science.gov (United States)

Hoster, Harry E; Roos, Matthias; Breitruck, Achim; Meier, Christoph; Tonigold, Katrin; Waldmann, Thomas; Ziener, Ulrich; Landfester, Katharina; Behm, R Jürgen

2007-11-06

The influence of the substrate and the deposition conditions-vapor deposition versus deposition from solution-on the structures formed upon self-assembly of deposited bis(terpyridine) derivative (2,4'-BTP) monolayers on different hexagonal substrates, including highly oriented pyrolytic graphite (HOPG), Au(111), and (111)-oriented Ag thin films, was investigated by high-resolution scanning tunneling microscopy and by model calculations of the intermolecular energies and the lateral corrugation of the substrate-adsorbate interaction. Similar quasi-quadratic network structures with almost the same lattice constants obtained on all substrates are essentially identical to the optimum configuration expected from an optimization of the adlayer structure with C-H...N-type bridging bonds as a structure-determining factor, which underlines a key role of the intermolecular interactions in adlayer order. Slight distortions from the optimum values to form commensurate adlayer structures on the metal substrates and the preferential orientation of the adlayer with respect to the substrate are attributed to the substrate-adsorbate interactions, specifically, the lateral corrugation in the substrate-adsorbate interaction upon lateral displacement and rotation of the adsorbed BTP molecules. The fact that similar adlayer structures are obtained on HOPG under ultrahigh vacuum conditions (solid|gas interface) and on HOPG in trichlorobenzene (solid|liquid interface) indicates that the intermolecular interactions are not severely affected by the solvent.

Centering of quadrupole family

International Nuclear Information System (INIS)

Pinayev, Igor

2007-01-01

A procedure for finding the individual centers for a family of quadrupoles fed with a single power supply is described. The method is generalized for using the correctors adjacent to the quadrupoles. Theoretical background is presented as well as experimental data for the NSLS rings. The method accuracy is also discussed

Ion trajectories quadrupole mass filters

International Nuclear Information System (INIS)

Ursu, D.; Lupsa, N.; Muntean, F.

1994-01-01

The present paper aims at bringing some contributions to the understanding of ion motion in quadrupole mass filters. The theoretical treatment of quadrupole mass filter is intended to be a concise derivation of the important physical relationships using Mathieu functions. A simple iterative method of numerical computation has been used to simulate ion trajectories in an ideal quadrupole field. Finally, some examples of calculation are presented with the aid of computer graphics. (Author) 14 Figs., 1 Tab., 20 Refs

MQRAD, a computer code for synchrotron radiation from quadrupole magnets

International Nuclear Information System (INIS)

Morimoto, Teruhisa.

1984-01-01

The computer code, MQRAD, is developed for the calculation of the synchrotron radiation from the particles passing through quadrupole magnets at the straight section of the electron-positron colliding machine. This code computes the distributions of photon numbers and photon energies at any given points on the beam orbit. In this code, elements such as the quadrupole magnets and the drift spaces can be divided into many sub-elements in order to obtain the results with good accuracy. The synchrotron radiation produced by inserted quadrupole magnets at the interaction region of the electron-positron collider is one of the main background sources to the detector. The masking system against the synchrotron radiation at TRISTAN is very important because of the relatively high beam energy and the long straight section, which are 30 GeV and 100 meters, respectively. MQRAD has been used to design the masking system of the TOPAZ detector and the result is presented here as an example. (author)

Interaction between two stopped light pulses

Energy Technology Data Exchange (ETDEWEB)

Chen, Yi-Hsin, E-mail: yhchen920@gmail.com; Lee, Meng-Jung, E-mail: yhchen920@gmail.com; Hung, Weilun, E-mail: yhchen920@gmail.com; Yu, Ite A., E-mail: yu@phys.nthu.edu.tw [Department of Physics and Frontier Research Center on Fundamental and Applied Sciences of Matters, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, Ying-Cheng [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan and Department of Physics and Frontier Research Center on Fundamental and Applied Sciences of Matters, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, Yong-Fan [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China)

2014-03-05

The efficiency of a nonlinear optical process is proportional to the interaction time. We report a scheme of all-optical switching based on two motionless light pulses via the effect of electromagnetically induced transparency. One pulse was stopped as the stationary light pulse (SLP) and the other was stopped as stored light. The time of their interaction via the medium can be prolonged and, hence, the optical nonlinearity is greatly enhanced. Using a large optical density (OD) of 190, we achieved a very long interaction time of 6.9 μs. This can be analogous to the scheme of trapping light pulses by an optical cavity with a Q factor of 8×10{sup 9}. With the approach of using moving light pulses in the best situation, a switch can only be activated at 2 photons per atomic absorption cross section. With the approach of employing a SLP and a stored light pulse, a switch at only 0.56 photons was achieved and the efficiency is significantly improved. Moreover, the simulation results are in good agreement with the experimental data and show that the efficiency can be further improved by increasing the OD of the medium. Our work advances the technology in quantum information manipulation utilizing photons.

Interaction between two stopped light pulses

International Nuclear Information System (INIS)

Chen, Yi-Hsin; Lee, Meng-Jung; Hung, Weilun; Yu, Ite A.; Chen, Ying-Cheng; Chen, Yong-Fan

2014-01-01

The efficiency of a nonlinear optical process is proportional to the interaction time. We report a scheme of all-optical switching based on two motionless light pulses via the effect of electromagnetically induced transparency. One pulse was stopped as the stationary light pulse (SLP) and the other was stopped as stored light. The time of their interaction via the medium can be prolonged and, hence, the optical nonlinearity is greatly enhanced. Using a large optical density (OD) of 190, we achieved a very long interaction time of 6.9 μs. This can be analogous to the scheme of trapping light pulses by an optical cavity with a Q factor of 8×10 9 . With the approach of using moving light pulses in the best situation, a switch can only be activated at 2 photons per atomic absorption cross section. With the approach of employing a SLP and a stored light pulse, a switch at only 0.56 photons was achieved and the efficiency is significantly improved. Moreover, the simulation results are in good agreement with the experimental data and show that the efficiency can be further improved by increasing the OD of the medium. Our work advances the technology in quantum information manipulation utilizing photons

Low-frequency nuclear quadrupole resonance with a dc SQUID

International Nuclear Information System (INIS)

Chang, J.W.

1991-07-01

Conventional pure nuclear quadrupole resonance (NQR) is a technique well suited for the study of very large quadrupolar interactions. Numerous nuclear magnetic resonance (NMR) techniques have been developed for the study of smaller quadrupolar interactions. However, there are many nuclei which have quadrupolar interactions of intermediate strength. Quadrupolar interactions in this region have traditionally been difficult or unfeasible to detect. This work describes the development and application of a SQUID NQR technique which is capable of measuring intermediate strength quadrupolar interactions, in the range of a few hundred kilohertz to several megahertz. In this technique, a dc SQUID (Superconducting QUantum Interference Device) is used to monitor the longitudinal sample magnetization, as opposed to the transverse magnetization, as a rf field is swept in frequency. This allows the detection of low-frequency nuclear quadrupole resonances over a very wide frequency range with high sensitivity. The theory of this NQR technique is discussed and a description of the dc SQUID system is given. In the following chapters, the spectrometer is discussed along with its application to the study of samples containing half-odd-integer spin quadrupolar nuclei, in particular boron-11 and aluminum-27. The feasibility of applying this NQR technique in the study of samples containing integer spin nuclei is discussed in the last chapter. 140 refs., 46 figs., 6 tabs

Quadrupole moments of the 12+ isomers in 188Hg and 190Hg

International Nuclear Information System (INIS)

Dracoulis, G.D.; Lonnroth, T.; Vajda, S.; Dafni, E.; Schatz, G.

1984-01-01

The electric quadrupole interaction of the 12 + isomers in 188 Hg and 190 Hg has been measured in solid Hg. The quadrupole moments deduced, vertical strokeQ[ 188 Hg(12 + )]vertical stroke = 91(11) e fm 2 and vertical strokeQ[ 190 Hg(12 + )]vertical stroke = 117(14) e fm 2 suggest a possible change in γ-deformation due to the rotation alignment of the isub(13/2) quasi-neutrons. The temperature dependence of the electric field gradient tensor in Hg was also determined. (orig.)

Interactions of molecules and the properties of crystals

Science.gov (United States)

McConnell, Thomas Daniel Leigh

In this thesis the basic theory of the lattice dynamics of molecular crystals is considered, with particular reference to the specific case of linear molecules. The objective is to carry out a critical investigation of a number of empirical potentials as models for real systems. Suitable coordinates are introduced, in particular vibrational coordinates which are used to describe the translational and rotational modes of the free molecule. The Taylor expansion of the intermolecular potential is introduced and its terms considered, in particular the (first-order) equilibrium conditions for such a system and the (second-order) lattice vibrations. The elastic properties are also considered, in particular with reference to the specific case of rhombohedral crystals. The compressibility and a number of conditions for elastic stability are introduced. The total intermolecular interaction potential is divided into three components using perturbation methods, the electrostatic energy, the repulsion energy and the dispersion energy. A number of models are introduced for these various components. The induction energy is neglected. The electrostatic interaction is represented by atomic multipole and molecular multipole models. The repulsion and dispersion energies are modelled together in a central interaction potential, either the Lennard-Jones atom-atom potential or the anisotropic Berne-Pechukas molecule-molecule potential. In each case, the Taylor expansion coefficients, used to calculate the various molecular properties, are determined. An algorithm is described which provides a relatively simple method for calculating cartesian tensors, which are found in the Taylor expansion coefficients of the multipolar potentials. This proves to be particularly useful from a computational viewpoint, both in terms of programming and calculating efficiency. The model system carbonyl sulphide is introduced and its lattice properties are described. Suitable parameters for potentials used

Excitonic Coupling in Linear and Trefoil Trimer Perylenediimide Molecules Probed by Single-Molecule Spectroscopy

KAUST Repository

Yoo, Hyejin

2012-10-25

Perylenediimide (PDI) molecules are promising building blocks for photophysical studies of electronic interactions within multichromophore arrays. Such PDI arrays are important materials for fabrication of molecular nanodevices such as organic light-emitting diodes, organic semiconductors, and biosensors because of their high photostability, chemical and physical inertness, electron affinity, and high tinctorial strength over the entire visible spectrum. In this work, PDIs have been organized into linear (L3) and trefoil (T3) trimer molecules and investigated by single-molecule fluorescence microscopy to probe the relationship between molecular structures and interchromophoric electronic interactions. We found a broad distribution of coupling strengths in both L3 and T3 and hence strong/weak coupling between PDI units by monitoring spectral peak shifts in single-molecule fluorescence spectra upon sequential photobleaching of each constituent chromophore. In addition, we used a wide-field defocused imaging technique to resolve heterogeneities in molecular structures of L3 and T3 embedded in a PMMA polymer matrix. A systematic comparison between the two sets of experimental results allowed us to infer the correlation between intermolecular interactions and molecular structures. Our results show control of the PDI intermolecular interactions using suitable multichromophoric structures. © 2012 American Chemical Society.

Excitonic Coupling in Linear and Trefoil Trimer Perylenediimide Molecules Probed by Single-Molecule Spectroscopy

KAUST Repository

Yoo, Hyejin; Furumaki, Shu; Yang, Jaesung; Lee, Ji-Eun; Chung, Heejae; Oba, Tatsuya; Kobayashi, Hiroyuki; Rybtchinski, Boris; Wilson, Thea M.; Wasielewski, Michael R.; Vacha, Martin; Kim, Dongho

2012-01-01

Perylenediimide (PDI) molecules are promising building blocks for photophysical studies of electronic interactions within multichromophore arrays. Such PDI arrays are important materials for fabrication of molecular nanodevices such as organic light-emitting diodes, organic semiconductors, and biosensors because of their high photostability, chemical and physical inertness, electron affinity, and high tinctorial strength over the entire visible spectrum. In this work, PDIs have been organized into linear (L3) and trefoil (T3) trimer molecules and investigated by single-molecule fluorescence microscopy to probe the relationship between molecular structures and interchromophoric electronic interactions. We found a broad distribution of coupling strengths in both L3 and T3 and hence strong/weak coupling between PDI units by monitoring spectral peak shifts in single-molecule fluorescence spectra upon sequential photobleaching of each constituent chromophore. In addition, we used a wide-field defocused imaging technique to resolve heterogeneities in molecular structures of L3 and T3 embedded in a PMMA polymer matrix. A systematic comparison between the two sets of experimental results allowed us to infer the correlation between intermolecular interactions and molecular structures. Our results show control of the PDI intermolecular interactions using suitable multichromophoric structures. © 2012 American Chemical Society.

Permanent quadrupole magnets

International Nuclear Information System (INIS)

Bush, E.D. Jr.

1976-01-01

A family of quadrupole magnets using a soft iron return yoke and circular cross-section permanent magnet poles were fabricated to investigate the feasibility for use in ion or electron beam focusing applications in accelerators and transport lines. Magnetic field measurements yielded promising results. In fixed-field applications, permanent magnets with sufficient gradients would be a low cost substitute for conventional electromagnets, eliminating the need for power supplies, associated wiring, and cooling. Based on preliminary tests, it was seen that permanent quadrupole magnets can offer a low cost, reliable solution in applications requiring small, fixed-field focusing devices for use in ion or electron-beam transport systems. Permanent magnets do require special considerations in design, fabrication, handling, and service that are different than encountered in conventional quadrupole magnets. If these basic conditions are satisfied, the resulting beam-focusing device would be stable, maintenance free, with virtually an indefinite lifetime

Interactions of light gravitinos

International Nuclear Information System (INIS)

Clark, T.E.; Lee, T.; Love, S.T.; Wu, G.

1998-01-01

In models of spontaneously broken supersymmetry, certain light gravitino processes are governed by the coupling of their Goldstino components. The rules for constructing SUSY and gauge invariant actions involving the Goldstino couplings to matter and gauge fields are presented. The explicit operator construction is found to be at variance with some previously reported claims. A phenomenological consequence arising from light gravitino interactions in supernova is reexamined and scrutinized. copyright 1998 The American Physical Society

Quadrupole moments of odd-A 53−63Mn: Onset of collectivity towards N=40

Directory of Open Access Journals (Sweden)

C. Babcock

2016-09-01

Full Text Available The spectroscopic quadrupole moments of the odd–even Mn isotopes between N=28 and N=38 have been measured using bunched-beam collinear laser spectroscopy at ISOLDE, CERN. In order to increase sensitivity to the quadrupole interaction, the measurements have been done using a transition in the ion rather than in the atom, with the additional advantage of better spectroscopic efficiency. Since the chosen transition is from a metastable state, optical pumping in ISOLDE's cooler and buncher (ISCOOL was used to populate this state. The extracted quadrupole moments are compared to large-scale shell model predictions using three effective interactions, GXPF1A, LNPS and modified A3DA. The inclusion of both the 1νg9/2 and 2νd5/2 orbitals in the model space is shown to be necessary to reproduce the observed increase in the quadrupole deformation from N=36 onwards. Specifically, the inclusion of the 2νd5/2 orbital induces an increase in neutron and proton excitations across the reduced gaps at N=40 and Z=28, leading to an increase in deformation above N=36.

Tuning the hybridization bandgap by meta-molecules with in-unit interaction

Energy Technology Data Exchange (ETDEWEB)

Chen, Yongqiang; Li, Yunhui, E-mail: liyunhui@tongji.edu.cn; Wu, Qian; Jiang, Haitao; Zhang, Yewen; Chen, Hong [Key Laboratory of Advanced Micro-Structured Materials, Ministry of Education, School of Physics Science and Engineering, Tongji University, Shanghai 200092 (China)

2015-09-07

In this paper, we demonstrate that the hybridization bandgap (HBG) can be tuned conveniently by deep subwavelength meta-molecules with in-unit interaction. Spontaneous-emission-cancellation-like (SEC-like) effect is realized in a meta-molecule by introducing the destructive interference of two detuned meta-atoms. The meta-atoms consisting of subwavelength zero-index-metamaterial-based resonators are side-coupled to a microstrip. Compared to conventional HBG configurations, the presence of in-unit interaction between meta-atoms provides more flexibility in tuning the bandgap properties, keeping the device volume almost unchanged. Both numerical simulations and microwave experiments confirm that the width, depth, and spectrum shape of HBG can be tuned by simply introducing SEC-like interaction into the meta-molecule. Due to these features, our design may be promising to be applied in microwave or optics communications systems with strict limitation of device volume and flexible bandgap properties.

Low-energy positron interactions with atoms and molecules

International Nuclear Information System (INIS)

Surko, C M; Gribakin, G F; Buckman, S J

2005-01-01

This paper is a review of low-energy positron interactions with atoms and molecules. Processes of interest include elastic scattering, electronic and vibrational excitation, ionization, positronium formation and annihilation. An overview is presented of the currently available theoretical and experimental techniques to study these phenomena, including the use of trap-based positron beam sources to study collision processes with improved energy resolution. State-resolved measurements of electronic and vibrational excitation cross sections and measurement of annihilation rates in atoms and molecules as a function of incident positron energy are discussed. Where data are available, comparisons are made with analogous electron scattering cross sections. Resonance phenomena, common in electron scattering, appear to be less common in positron scattering. Possible exceptions include the sharp onsets of positron-impact electronic and vibrational excitation of selected molecules. Recent energy-resolved studies of positron annihilation in hydrocarbons containing more than a few carbon atoms provide direct evidence that vibrational Feshbach resonances underpin the anomalously large annihilation rates observed for many polyatomic species. We discuss open questions regarding this process in larger molecules, as well as positron annihilation in smaller molecules where the theoretical picture is less clear. (topical review)

Rotational dependence of Fermi-type resonance interactions in molecules

Science.gov (United States)

Mikhailov, Vladimir M.; Smirnov, M. A.

1997-03-01

In Pasadena, (Milliken Lab., USA, 1930) F. Rossetti has observed in Raman spectrum of carbon-dioxide molecule the full symmetric vibration of carbon dioxide appeared as the group of four near lying lines instead of the waited single line. The true interpretation of this enigmatic effect (in that time) was given by E. Fermi -- accidental degeneration of the first excited state of the full symmetric vibration in carbon dioxide. It was the first example of the event observed later in various organic molecules. This event was named as resonance Fermi. The rotational dependence of Fermi type resonance interactions in quasirigid molecules in dominant approximation can be selected in an expansion of the effective vibration-rotation Hamiltonian Hvib- roteff by the operator H(g)(Fermi) equals H30 plus (Sigma) nH3n(g). Let us consider in detail the problem of the construction of the effective vibration-rotational Hamiltonian HVR yields Heff from the point of view of various ordering schemes (grouping) of the vibrational-rotational interactions with sequential analysis of the choice of the convenient grouping adequate to the spectroscopic problem.

Inkjet-Printed Small-Molecule Organic Light-Emitting Diodes: Halogen-Free Inks, Printing Optimization, and Large-Area Patterning.

Science.gov (United States)

Zhou, Lu; Yang, Lei; Yu, Mengjie; Jiang, Yi; Liu, Cheng-Fang; Lai, Wen-Yong; Huang, Wei

2017-11-22

Manufacturing small-molecule organic light-emitting diodes (OLEDs) via inkjet printing is rather attractive for realizing high-efficiency and long-life-span devices, yet it is challenging. In this paper, we present our efforts on systematical investigation and optimization of the ink properties and the printing process to enable facile inkjet printing of conjugated light-emitting small molecules. Various factors on influencing the inkjet-printed film quality during the droplet generation, the ink spreading on the substrates, and its solidification processes have been systematically investigated and optimized. Consequently, halogen-free inks have been developed and large-area patterning inkjet printing on flexible substrates with efficient blue emission has been successfully demonstrated. Moreover, OLEDs manufactured by inkjet printing the light-emitting small molecules manifested superior performance as compared with their corresponding spin-cast counterparts.

Interactions Between Charged Macroions Mediated by Molecules with Rod-like Charged Structures

Directory of Open Access Journals (Sweden)

Bohinc, K.

2014-03-01

Full Text Available A short review of recent theoretical advances in studies of the interaction between highly charged systems embedded in a solution of rod-like molecules is presented. The system is theoretically described by the functional density theory, where the correlations within the rod-like molecules are accounted for. We show that for sufficiently long molecules and large surface charge densities, an attractive force between like-charged surfaces arises due to the spatially distributed charges within the molecules. The added salt has an influence on the condition for the attractive force between like-charged surfaces. The theoretical results are compared with Monte Carlo simulations. Many phenomena motivate the study of the interaction between like-charged surfaces (DNA condensation, virus aggregation, yeast flocculation, cohesion of cement paste.

Torques on quadrupoles

OpenAIRE

Torres del Castillo, G.F; Méndez Garrido, A

2006-01-01

Making use of the fact that a 2l-pole can be represented by means of l vectors of the same magnitude, the torque on a quadrupole in an inhomogeneous external field is expressed in terms of the vectors that represent the quadrupole and the gradient of the external field. The conditions for rotational equilibrium are also expressed in terms of these vectors. Haciendo uso de que un multipolo de orden 2l puede representarse mediante l vectores de la misma magnitud, la torca sobre un cuadripolo...

A Mott-like State of Molecules

International Nuclear Information System (INIS)

Duerr, S.; Volz, T.; Syassen, N.; Bauer, D. M.; Hansis, E.; Rempe, G.

2006-01-01

We prepare a quantum state where each site of an optical lattice is occupied by exactly one molecule. This is the same quantum state as in a Mott insulator of molecules in the limit of negligible tunneling. Unlike previous Mott insulators, our system consists of molecules which can collide inelastically. In the absence of the optical lattice these collisions would lead to fast loss of the molecules from the sample. To prepare the state, we start from a Mott insulator of atomic 87Rb with a central region, where each lattice site is occupied by exactly two atoms. We then associate molecules using a Feshbach resonance. Remaining atoms can be removed using blast light. Our method does not rely on the molecule-molecule interaction properties and is therefore applicable to many systems

An energy-filtering device coupled to a quadrupole mass spectrometer for soft-landing molecular ions on surfaces with controlled energy

Energy Technology Data Exchange (ETDEWEB)

Bodin, A.; Laloo, R.; Abeilhou, P.; Guiraud, L.; Gauthier, S.; Martrou, D. [Nanosciences Group, CEMES, CNRS UPR 8011 and University Toulouse III - Paul Sabatier, 29 rue Jeanne Marvig, BP94347, F-31055 Toulouse Cedex 4 (France)

2013-09-15

We have developed an energy-filtering device coupled to a quadrupole mass spectrometer to deposit ionized molecules on surfaces with controlled energy in ultra high vacuum environment. Extensive numerical simulations as well as direct measurements show that the ion beam flying out of a quadrupole exhibits a high-energy tail decreasing slowly up to several hundred eV. This energy distribution renders impossible any direct soft-landing deposition of molecular ions. To remove this high-energy tail by energy filtering, a 127° electrostatic sector and a specific triplet lenses were designed and added after the last quadrupole of a triple quadrupole mass spectrometer. The results obtained with this energy-filtering device show clearly the elimination of the high-energy tail. The ion beam that impinges on the sample surface satisfies now the soft-landing criterion for molecular ions, opening new research opportunities in the numerous scientific domains involving charges adsorbed on insulating surfaces.

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

Czech Academy of Sciences Publication Activity Database

Řezáč, Jan; Riley, Kevin Eugene; Hobza, Pavel

2012-01-01

Roč. 8, č. 11 (2012), s. 4285-4292 ISSN 1549-9618 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : halogenated molecules * noncovalent interactions * benchmark calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.389, year: 2012

Interaction of ultrashort pulses with molecules and solids: Physics ...

Indian Academy of Sciences (India)

2014-07-26

energy materials. Abstract. The interaction of ultrashort laser pulses with molecules and solids is an extremely complex area of science research encompassing the fields of physics, chemistry, and materials science. The physics ...

Small molecule inhibitors of bromodomain-acetyl-lysine interactions.

Science.gov (United States)

Brand, Michael; Measures, Angelina R; Measures, Angelina M; Wilson, Brian G; Cortopassi, Wilian A; Alexander, Rikki; Höss, Matthias; Hewings, David S; Rooney, Timothy P C; Paton, Robert S; Conway, Stuart J

2015-01-16

Bromodomains are protein modules that bind to acetylated lysine residues. Their interaction with histone proteins suggests that they function as "readers" of histone lysine acetylation, a component of the proposed "histone code". Bromodomain-containing proteins are often found as components of larger protein complexes with roles in fundamental cellular process including transcription. The publication of two potent ligands for the BET bromodomains in 2010 demonstrated that small molecules can inhibit the bromodomain-acetyl-lysine protein-protein interaction. These molecules display strong phenotypic effects in a number of cell lines and affect a range of cancers in vivo. This work stimulated intense interest in developing further ligands for the BET bromodomains and the design of ligands for non-BET bromodomains. Here we review the recent progress in the field with particular attention paid to ligand design, the assays employed in early ligand discovery, and the use of computational approaches to inform ligand design.

Solution-processed white organic light-emitting devices based on small-molecule materials

International Nuclear Information System (INIS)

Wang Dongdong; Wu Zhaoxin; Zhang Xinwen; Wang Dawei; Hou Xun

2010-01-01

We investigated solution-processed films of 4,4'-bis(2,2-diphenylvinyl)-1,1'-bibenyl (DPVBi) and its blends with N,N'-bis(3-methylphenyl)-(1,1'-biphenyl)-4,4'-diamine (TPD) by atomic force microscopy (AFM). The AFM result shows that the solution-processed films are pin-free and their morphology is smooth enough to be used in OLEDs. We have developed a solution-processed white organic light-emitting device (WOLEDs) based on small-molecules, in which the light-emitting layer (EML) was formed by spin-coating the solution of small-molecules on top of the solution-processed hole-transporting layer. This WOLEDs, in which the EML consists of co-host (DPVBi and TPD), the blue dopant (4,4'-bis[2-(4-(N,N-diphenylamino)phenyl)vinyl]biphenyl) and the yellow dye (5,6,11,12-tetraphenylnaphtacene), has a current efficiency of 6.0 cd/A at a practical luminance of 1000 cd/m 2 , a maximum luminance of 22500 cd/m 2 , and its color coordinates are quite stable. Our research shows a possible approach to achieve efficient and low-cost small-molecule-based WOLEDs, which avoids the complexities of the co-evaporation process of multiple dopants and host materials in vacuum depositions.

Laced permanent magnet quadrupole drift tube magnets

International Nuclear Information System (INIS)

Feinberg, B.; Behrsing, G.U.; Halbach, K.; Marks, J.S.; Morrison, M.E.; Nelson, D.H.

1988-10-01

A laced permanent magnet quadrupole drift tube magnet has been constructed for a proof-of-principle test. The magnet is a conventional tape-wound quadrupole electromagnet, using iron pole- pieces, with the addition of permanent magnet material (neodymium iron) between the poles to reduce the effects of saturation. The iron is preloaded with magnetic flux generated by the permanent magnet material, resulting in an asymmetrical saturation curve. Since the polarity of the quadrupole magnets in a drift tube linac is not reversed we can take advantage of this asymmetrical saturation to provide greater focusing strength. The magnet configuration has been optimized and the vanadium permendur poles needed in a conventional quadrupole have been replaced with iron poles. The use of permanent magnet material has allowed us to increase the focusing strength of the magnet by about 20% over that of a conventional tape-wound quadrupole. Comparisons will be made between this magnet and the conventional tape-wound quadrupole. 3 refs., 5 figs

Materials for Hydrogen Storage in Nanocavities: Design criteria

Energy Technology Data Exchange (ETDEWEB)

Reguera, E. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada del IPN, Unidad Legaria, Legaria 694, Col. Irrigacion (Mexico)

2009-11-15

The adsorption potential for a given adsorbate depends of both, material surface and adsorbate properties. In this contribution the possible guest-host interactions for H{sub 2} within a cavity or on a surface are discussed considering the molecule physical properties. Five different interactions contribute to the adsorption forces for this molecule: 1) quadrupole moment interaction with the local electric field gradient; 1) electron cloud polarization by a charge center; 3) dispersive forces (van der Waals); 4) quadrupole moment versus quadrupole moment between neighboring H{sub 2} molecules, and, 5) H{sub 2} coordination to a metal center. The relative importance of these five interactions for the hydrogen storage in nanocavities is discussed from experimental evidences in order to extract materials design criteria for molecular hydrogen storage. (author)

Design and alaysis of the PEP-II B-Factory HER QF5 quadrupole magnet

International Nuclear Information System (INIS)

Kendall, C.M.; Harvey, A.; Swan, J.; Yamamoto, R.; Yokota, T.; Tanabe, J.; Sullivan, M.; Wienands, U.

1997-01-01

The High Energy Ring (HER) in Stanford Linear Accelerator Center's PEP-II B-Factory employs two high field quality quadrupole magnets, labeled QF5, located in the Interaction Region (IR) symmetrically about the Interaction Point (IP), for final horizontal beam focusing. An asymmetric, septum, Collins quadrupole design is required for QF5 as a result of space constraints within the IR. Water cooled square hollow copper conductor is used in a two coil per pole configuration to develop the 61.7 kG/m and 82.2 kG/m gradients required for the HER 9 GeV and 12 GeV energy levels respectively. A 1.45 m long laminated iron core constructed in two halves with a 160 mm diameter aperture and pole tip shims shape the quadruple field. The QF5 field quality requirements include a multipole content of b n /b 2 ≤1 x 10 -4 for n = 3-15 at a radius of 78.1 mm. The QF5 quadrupole mechanical and magnetic design and analysis are presented

Spin interactions in InAs quantum dots and molecules

Energy Technology Data Exchange (ETDEWEB)

Doty, M.F.; Ware, M.E.; Stinaff, E.A.; Scheibner, M.; Bracker, A.S.; Ponomarev, I.V.; Badescu, S.C.; Reinecke, T.L.; Gammon, D. [Naval Research Lab, Washington, DC 20375 (United States); Korenev, V.L. [A.F. Ioffe Physical Technical Institute, St. Petersburg 194021 (Russian Federation)

2006-12-15

Spin interactions between particles in quantum dots or quantum dot molecules appear as fine structure in the photoluminescence spectra. Using the understanding of exchange interactions that has been developed from single dot spectra, we analyze the spin signatures of coupled quantum dots separated by a wide barrier such that inter-dot interactions are negligible. We find that electron-hole exchange splitting is directly evident. In dots charged with an excess hole, an effective hole-hole interaction can be turned on through tunnel coupling. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Nondipole effects in the photoionization of Xe 4d: Evidence for quadrupole satellites

International Nuclear Information System (INIS)

Hemmers, O.; Guillemin, R.; Wolska, A.; Lindle, D.W.; Rolles, D.; Cheng, K.T.; Johnson, W.R.; Zhou, H.L.; Manson, S.T.

2004-01-01

Full text: We measured the nondipole parameters for the spin-orbit depletes Xe 4d 5/2 and Xe 4d 3/2 over a photonenergy range from 100 eV to 250 eV at beamline 8.0.1.3 of the Advanced Light Source at the Lawrence Berkeley National Laboratory. Significant nondipole effects are found at relatively low energies as a result of Cooper minima in dipole channels and interchannel coupling in quadrupole channels. Most importantly, sharp disagreement between experiment and theory, when otherwise excellent agreement was expected, has provided the first evidence of satellite two-electron quadrupole photoionization transitions, along with their crucial importance for a quantitatively accurate theory

Quadrupole to BPM offset determination in Indus-2

International Nuclear Information System (INIS)

Jena, Saroj; Ghodke, A.D.; Singh, G.

2009-01-01

A feasibility of finding the quadrupole to BPM offset using beam based alignment (BBA) technique in Indus-2 has been studied. The measurements of the offsets between BPM and quadrupoles could be performed by using quadratic fitting for the minima of the orbit response w. r. t. changes in the quadrupole strengths. These offsets will be integrated to the orbit data during closed orbit correction. There are 72 quadrupoles and 56 BPMs in Indus-2. However the assessment of Quad-BPM offsets is not feasible in some cases due to non-availability of BPM adjacent to quadrupole and also in some cases because of a large phase advance between quadrupole and nearby BPM. Here single corrector method is used to obtain these offsets and assumed the current of each quadrupole can be varied independently. A graphical user interface (GUI) is developed in MATLAB for the use of BBA in Indus-2. (author)

Lasers, light-atom interaction

International Nuclear Information System (INIS)

Cagnac, B.; Faroux, J.P.

2002-01-01

This book has a double purpose: first to explain in a way as simple as possible the interaction processes occurring between atoms and light waves, and secondly to help any scientist that needs further information to improve his knowledge of lasers. The content of this book has been parted into 3 more or less independent sections: 1) effect of an electromagnetic field on a 2-quantum state system, 2) operating mode of lasers in the framework of transition probabilities, and 3) calculation of the emitted wave. Einstein's phenomenological hypothesis has led to probability equations called rate equations, these equations do not give a true representation of the interaction process at the scale of the atom but this representation appears to be true on an average over a large population of atoms. Only quantum mechanics can describe accurately the light-atom interaction but at the cost of a far higher complexity. In the first part of the book quantum mechanics is introduced and applied under 2 simplifying hypothesis: -) the atom system has only 2 non-degenerate states and -) the intensity of the light wave is high enough to involve a large population of photons. Under these hypothesis, Rabi oscillations, Ramsey pattern and the splitting of Autler-Townes levels are explained. The second part is dedicated to the phenomenological model of Einstein that gives good results collectively. In the third part of the book, Maxwell equations are used to compute field spatial distribution that are currently found in experiments involving lasers. (A.C.)

Polarized light modulates light-dependent magnetic compass orientation in birds

Science.gov (United States)

Muheim, Rachel; Sjöberg, Sissel; Pinzon-Rodriguez, Atticus

2016-01-01

Magnetoreception of the light-dependent magnetic compass in birds is suggested to be mediated by a radical-pair mechanism taking place in the avian retina. Biophysical models on magnetic field effects on radical pairs generally assume that the light activating the magnetoreceptor molecules is nondirectional and unpolarized, and that light absorption is isotropic. However, natural skylight enters the avian retina unidirectionally, through the cornea and the lens, and is often partially polarized. In addition, cryptochromes, the putative magnetoreceptor molecules, absorb light anisotropically, i.e., they preferentially absorb light of a specific direction and polarization, implying that the light-dependent magnetic compass is intrinsically polarization sensitive. To test putative interactions between the avian magnetic compass and polarized light, we developed a spatial orientation assay and trained zebra finches to magnetic and/or overhead polarized light cues in a four-arm “plus” maze. The birds did not use overhead polarized light near the zenith for sky compass orientation. Instead, overhead polarized light modulated light-dependent magnetic compass orientation, i.e., how the birds perceive the magnetic field. Birds were well oriented when tested with the polarized light axis aligned parallel to the magnetic field. When the polarized light axis was aligned perpendicular to the magnetic field, the birds became disoriented. These findings are the first behavioral evidence to our knowledge for a direct interaction between polarized light and the light-dependent magnetic compass in an animal. They reveal a fundamentally new property of the radical pair-based magnetoreceptor with key implications for how birds and other animals perceive the Earth’s magnetic field. PMID:26811473

All 36 exactly solvable solutions of eigenvalues for nuclear electric quadrupole interaction Hamiltonian and equivalent rigid asymmetric rotor with expanded characteristic equation listing

Energy Technology Data Exchange (ETDEWEB)

Menke, Lorenz Harry, E-mail: lnz2004@mindspring.com [University of Pittsburgh (United States)

2012-05-15

This paper derives all 36 analytical solutions of the energy eigenvalues for nuclear electric quadrupole interaction Hamiltonian and equivalent rigid asymmetric rotor for polynomial degrees 1 through 4 using classical algebraic theory. By the use of double-parameterization the full general solution sets are illustrated in a compact, symmetric, structural, and usable form that is valid for asymmetry parameter {eta} is an element of (- {infinity}, + {infinity}). These results are useful for code developers in the area of Perturbed Angular Correlation (PAC), Nuclear Quadrupole Resonance (NQR) and rotational spectroscopy who want to offer exact solutions whenever possible, rather that resorting to numerical solutions. In addition, by using standard linear algebra methods, the characteristic equations of all integer and half-integer spins I from 0 to 15, inclusive are represented in a compact and naturally parameterized form that illustrates structure and symmetries. This extends Nielson's listing of characteristic equations for integer spins out to I = 15, inclusive.

Small molecule inhibitors target the tissue transglutaminase and fibronectin interaction.

Directory of Open Access Journals (Sweden)

Bakhtiyor Yakubov

Full Text Available Tissue transglutaminase (TG2 mediates protein crosslinking through generation of ε-(γ-glutamyl lysine isopeptide bonds and promotes cell adhesion through interaction with fibronectin (FN and integrins. Cell adhesion to the peritoneal matrix regulated by TG2 facilitates ovarian cancer dissemination. Therefore, disruption of the TG2-FN complex by small molecules may inhibit cell adhesion and metastasis. A novel high throughput screening (HTS assay based on AlphaLISA™ technology was developed to measure the formation of a complex between His-TG2 and the biotinylated FN fragment that binds TG2 and to discover small molecules that inhibit this protein-protein interaction. Several hits were identified from 10,000 compounds screened. The top candidates selected based on >70% inhibition of the TG2/FN complex formation were confirmed by using ELISA and bioassays measuring cell adhesion, migration, invasion, and proliferation. In conclusion, the AlphaLISA bead format assay measuring the TG2-FN interaction is robust and suitable for HTS of small molecules. One compound identified from the screen (TG53 potently inhibited ovarian cancer cell adhesion to FN, cell migration, and invasion and could be further developed as a potential inhibitor for ovarian cancer dissemination.

Single-molecule fluorescence microscopy review: shedding new light on old problems.

Science.gov (United States)

Shashkova, Sviatlana; Leake, Mark C

2017-08-31

Fluorescence microscopy is an invaluable tool in the biosciences, a genuine workhorse technique offering exceptional contrast in conjunction with high specificity of labelling with relatively minimal perturbation to biological samples compared with many competing biophysical techniques. Improvements in detector and dye technologies coupled to advances in image analysis methods have fuelled recent development towards single-molecule fluorescence microscopy, which can utilize light microscopy tools to enable the faithful detection and analysis of single fluorescent molecules used as reporter tags in biological samples. For example, the discovery of GFP, initiating the so-called 'green revolution', has pushed experimental tools in the biosciences to a completely new level of functional imaging of living samples, culminating in single fluorescent protein molecule detection. Today, fluorescence microscopy is an indispensable tool in single-molecule investigations, providing a high signal-to-noise ratio for visualization while still retaining the key features in the physiological context of native biological systems. In this review, we discuss some of the recent discoveries in the life sciences which have been enabled using single-molecule fluorescence microscopy, paying particular attention to the so-called 'super-resolution' fluorescence microscopy techniques in live cells, which are at the cutting-edge of these methods. In particular, how these tools can reveal new insights into long-standing puzzles in biology: old problems, which have been impossible to tackle using other more traditional tools until the emergence of new single-molecule fluorescence microscopy techniques. © 2017 The Author(s).

First Test Results of the 150 mm Aperture IR Quadrupole Models for the High Luminosity LHC

CERN Document Server

Ambrosio, G; Wanderer, P; Ferracin, P; Sabbi, G

2017-01-01

The High Luminosity upgrade of the LHC at CERN will use large aperture (150 mm) quadrupole magnets to focus the beams at the interaction points. The high field in the coils requires Nb$_{3}$Sn superconductor technology, which has been brought to maturity by the LHC Accelerator Re-search Program (LARP) over the last 10 years. The key design targets for the new IR quadrupoles were established in 2012, and fabrication of model magnets started in 2014. This paper discusses the results from the first single short coil test and from the first short quadrupole model test. Remaining challenges and plans to address them are also presented and discussed.

First Test Results of the 150 mm Aperture IR Quadrupole Models for the High Luminosity LHC

Energy Technology Data Exchange (ETDEWEB)

Ambrosio, G. [Fermilab; Chlachidze, G. [Fermilab; Wanderer, P. [Brookhaven; Ferracin, P. [CERN; Sabbi, G. [LBNL, Berkeley

2016-10-06

The High Luminosity upgrade of the LHC at CERN will use large aperture (150 mm) quadrupole magnets to focus the beams at the interaction points. The high field in the coils requires Nb3Sn superconductor technology, which has been brought to maturity by the LHC Accelerator Re-search Program (LARP) over the last 10 years. The key design targets for the new IR quadrupoles were established in 2012, and fabrication of model magnets started in 2014. This paper discusses the results from the first single short coil test and from the first short quadrupole model test. Remaining challenges and plans to address them are also presented and discussed.

Accelerator and Technical Sector Seminar: Mechanical stabilization and positioning of CLIC quadrupoles with sub-nanometre resolution

CERN Multimedia

2011-01-01

Thursday 24 November 2010 Accelerator and Technical Sector Seminar at 14:15  -  BE Auditorium, bldg. 6 (Meyrin) – please note unusual place Mechanical stabilization and positioning of CLIC quadrupoles with sub-nanometre resolution Stef Janssens /EN-MME Abstract: To reach the required luminosity at the CLIC interaction point, about 4000 quadrupoles are needed to obtain a vertical beam size of 1 nm at the interaction point. The mechanical jitter of the quadrupole magnets will result in an emittance growth. An active vibration isolation system is required to reduce vibrations from the ground and from external forces to about 1.5 nm integrated root mean square (r.m.s.) vertical displacement at 1 Hz. A short overview of vibration damping and isolation strategies will be presented as well as a comparison of existing systems. The unprecedented resolution requirements and the instruments enabling these measurements will be discussed. The vibration sources from which the magnets need to...

Collision of hydrogen molecules interacting with two grapheme sheets

Directory of Open Access Journals (Sweden)

Malivuk-Gak Dragana

2017-01-01

Full Text Available It have been performed the computational experiments with two hydrogen molecules and two graphene sheets. Hydrogen - hydrogen and hydrogen - carbon interactions are described by Lennard - Jones potential. Equations of motion of the wave packet centre are solved numerically. The initial molecule velocity was determined by temperature and collisions occur in central point between two sheets. The molecules after collision stay near or get far away of graphene sheets. Then one can find what temperatures, graphene sheet sizes and their distances are favourable for hydrogen storage. It is found that quantum corrections of the molecule classical trajectories are not significant here. Those investigations of possibility of hydrogen storage by physisorption are of interest for improvement of the fuel cell systems. The main disadvantages of computational experiments are: (1 it cannot compute with very large number of C atoms, (2 it is assumed that carbon atoms are placed always in their equilibrium positions and (3 the changes of wave packet width are not considered.

Three-dimensional quadrupole lenses made with permanent magnets

International Nuclear Information System (INIS)

Ivanov, A.S.

1984-01-01

The performance of accelerator systems with quadrupole magnets can be improved by using permanent magnets in quadrupole lenses. This requires better methods for treating the three-dimensional nature of the magnetic fields and the nonlinear characteristics of the magnets. A numerical method is described for simulating three-dimensional magnetic fields and used to analyze quadrupole lenses and doublets with permanent magnets. The results, which are confirmed experimentally, indicate that both the quadrupole magnetic gradient and the effective field length are changed in permanent-magnet quadrupole lenses when the pole lengths and the gap between the lenses are varied while the other characteristics of the magnets remain unchanged

Determination of lateral interactions between NO molecules on Rh(111)

International Nuclear Information System (INIS)

Hagelaar, J H A; Flipse, C F J; Jansen, A P J

2007-01-01

In this study, the STM was used to locally study the adsorption of NO on a Rh(111) single crystal. Three new structures were identified. At 200 K, patches of the (4 x 2)-2NO and an unreported (2 x 2)-2NO structure were found at about 0.50ML coverage. Higher exposure gave rise to a (2 x 2)-3NO structure with all molecules adsorbed in the hcp sites. At 5K, a (4 x 4)-1NO structure was observed. The large separation between the molecules can only arise from repulsive interactions over a distance of at least four times the lattice constant (11 A). Here the interaction is estimated to be of the order of ∼10K or ∼0.1 kJ/mol. Dynamic Monte Carlo simulations taking into account adsorption, diffusion and pairwise interactions between adsorbates were used to fit the lateral interaction for the next-next nearest neighbor to the patched STM topograph at 200K for 0.50ML coverage. The value was determined to be 2 kJ/mol. Using pairwise interactions only (2 x 2)-3NO structure could not be explained. It might therefore be necessary to include three-particle interactions. Recent DFT calculations support this idea by showing attractive three-particle interactions

ELECTRON TRAPPING IN WIGGLER AND QUADRUPOLE MAGNETS OF CESRTA

International Nuclear Information System (INIS)

Wang, Lanfa

2010-01-01

The Cornell Electron Storage Ring (CESR) has been reconfigured as an ultra low emittance damping ring for use as a test accelerator (CesrTA) for International Linear Collider (ILC) damping ring R and D (1). One of the primary goals of the CesrTA program is to investigate the interaction of the electron cloud with low emittance positron beam to explore methods to suppress the electron cloud, develop suitable advanced instrumentation required for these experimental studies and benchmark predictions by simulation codes. This paper reports the simulation of the electron-cloud formation in the wiggler and quadrupole magnets using the 3D code CLOUDLAND. We found that electrons can be trapped with long lifetime in a quadrupole magnet due to the mirror field trapping mechanism and photoelectrons produced in the wiggler zero field zone have long lifetime due to their complicated trajectory.

Quench protection of the LHC inner triplet quadrupoles built at Fermilab

CERN Document Server

Bauer, P; Chiesa, L; Di Marco, J; Fehér, S; Lamm, M J; McInturff, A D; Nobrega, A; Orris, D; Tartaglia, M; Tompkins, J C; Zlobin, A V

2001-01-01

High gradient quadrupoles are being developed by the US-LHC Accelerator project for the LHC interaction region inner triplets. These 5.5 m long magnets have a single 70 mm aperture and operate in superfluid helium at a peak gradient of 215 T/m. Through the construction and test of eight 2 meter long model quadrupoles, strip heaters of various geometries and insulation thicknesses have proven to be effective in protecting the magnets from excessively high coil temperatures and coil voltages to ground. This paper reports on the results of the model program to optimize the heater performance within the context of the LHC inner triplet electrical power and quench detection scheme. (6 refs).

Fabrication and study of hybrid molecule/superconductor assemblies

International Nuclear Information System (INIS)

McDevitt, J.T.; Haupt, S.G.; Jurbergs, D.; Riley, D.R.; Zhao, J.; Zhou, J.P.; Lo, K.; Grassi, J.; Jones, C.

1994-01-01

The fabrication of electronic devices from molecular materials has attracted much attention recently. Schottky diodes, molecular transistors, metal-insulator-semiconductor diodes, MIS field effect transistors and light emitting diodes have all been prepared utilizing such substances. The active elements in these devices have been constructed by depositing the molecular phase onto the surface of a metal, semiconductor or insulating substrate. With the recent discovery of high temperature superconductivity, new opportunities now exist for the study of molecule/superconductor interactions as well as for the construction of novel hybrid molecule/superconductor devices. In this paper, methods for preparing the first two classes of composite molecule/superconductor devices are reported. Consequently, light sensors based on organic dye-coated superconductor junctions as well as molecular switches fashioned from organic conductive polymer-coated superconductor microbridges are discussed. Moreover, the initial results related to the study of molecule/superconductor energy and electron transfer phenomena are reported

Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

International Nuclear Information System (INIS)

Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain; Saitovitch, Henrique

2013-01-01

Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using 111 In→ 111 Cd and 111m Cd→ 111 Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν Q ), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

Design of an electrostatic magnetic quadrupole accelerator

International Nuclear Information System (INIS)

Mizuno, M.; Ohara, Y.

1993-01-01

A new type of electrostatic acceleration system, electrostatic magnetic quadrupole (ESMQ) acceleration system, is proposed for efficient acceleration of negative ion beams. In this system, permanent magnets are buried in the acceleration electrodes so as to produce a quadrupole magnetic field in the electrode aperture region. Envelope simulation indicates that the quadrupole field can deflect electrons stripped from the negative ions. Beam envelope simulations for deuterium ions and electrons have been carried out using the beam envelope code TRACE. Electrons are largely divergent and most appear likely to hit downstream electrodes. Furthermore, maximum beam divergence of the deuterium ions is reduced to the focusing effect of the quadrupole magnetic field

Interactions of the humoral pattern recognition molecule PTX3 with the complement system

DEFF Research Database (Denmark)

Doni, Andrea; Garlanda, Cecilia; Bottazzi, Barbara

2012-01-01

The innate immune system comprises a cellular and a humoral arm. The long pentraxin PTX3 is a fluid phase pattern recognition molecule, which acts as an essential component of the humoral arm of innate immunity. PTX3 has antibody-like properties including interactions with complement components....... PTX3 interacts with C1q, ficolin-1 and ficolin-2 as well as mannose-binding lectin, recognition molecules in the classical and lectin complement pathways. The formation of these heterocomplexes results in cooperative pathogen recognition and complement activation. Interactions with C4b binding protein...

High gradient superconducting quadrupoles

International Nuclear Information System (INIS)

Lundy, R.A.; Brown, B.C.; Carson, J.A.; Fisk, H.E.; Hanft, R.H.; Mantsch, P.M.; McInturff, A.D.; Remsbottom, R.H.

1987-07-01

Prototype superconducting quadrupoles with a 5 cm aperture and gradient of 16 kG/cm have been built and tested as candidate magnets for the final focus at SLC. The magnets are made from NbTi Tevatron style cable with 10 inner and 14 outer turns per quadrant. Quench performance and multipole data are presented. Design and data for a low current, high gradient quadrupole, similar in cross section but wound with a cable consisting of five insulated conductors are also discussed

Electrostatic quadrupoles for heavy-ion fusion

International Nuclear Information System (INIS)

Seidl, P.; Faltens, A.

1993-05-01

Voltage-holding data for three quadrupole electrode sizes and inter-electrode spacings are reported. The dependence of the breakdown voltage on system size and its influence on the optimum quadrupole size for beam transport in a multiple beam array are discussed

Identification of Small Molecule Translesion Synthesis Inhibitors That Target the Rev1-CT/RIR Protein-Protein Interaction.

Science.gov (United States)

Sail, Vibhavari; Rizzo, Alessandro A; Chatterjee, Nimrat; Dash, Radha C; Ozen, Zuleyha; Walker, Graham C; Korzhnev, Dmitry M; Hadden, M Kyle

2017-07-21

Translesion synthesis (TLS) is an important mechanism through which proliferating cells tolerate DNA damage during replication. The mutagenic Rev1/Polζ-dependent branch of TLS helps cancer cells survive first-line genotoxic chemotherapy and introduces mutations that can contribute to the acquired resistance so often observed with standard anticancer regimens. As such, inhibition of Rev1/Polζ-dependent TLS has recently emerged as a strategy to enhance the efficacy of first-line chemotherapy and reduce the acquisition of chemoresistance by decreasing tumor mutation rate. The TLS DNA polymerase Rev1 serves as an integral scaffolding protein that mediates the assembly of the active multiprotein TLS complexes. Protein-protein interactions (PPIs) between the C-terminal domain of Rev1 (Rev1-CT) and the Rev1-interacting region (RIR) of other TLS DNA polymerases play an essential role in regulating TLS activity. To probe whether disrupting the Rev1-CT/RIR PPI is a valid approach for developing a new class of targeted anticancer agents, we designed a fluorescence polarization-based assay that was utilized in a pilot screen for small molecule inhibitors of this PPI. Two small molecule scaffolds that disrupt this interaction were identified, and secondary validation assays confirmed that compound 5 binds to Rev1-CT at the RIR interface. Finally, survival and mutagenesis assays in mouse embryonic fibroblasts and human fibrosarcoma HT1080 cells treated with cisplatin and ultraviolet light indicate that these compounds inhibit mutagenic Rev1/Polζ-dependent TLS in cells, validating the Rev1-CT/RIR PPI for future anticancer drug discovery and identifying the first small molecule inhibitors of TLS that target Rev1-CT.

Interaction of VUV-photons with molecules. Spectroscopy and dynamics of molecular superexcited states

International Nuclear Information System (INIS)

Hatano, Y.

2002-01-01

Complete text of publication follows. A survey is given of recent progress in experimental studies of the interaction of VUV-photons with molecules, i.e., those of photoabsorption, photoionization, and photodissociation of molecules in the excitation photon energy range of 10-50 eV, with a particular emphasis placed on current understanding of the spectroscopy and dynamics of formed molecular superexcited states. These studies are of great importance in understanding the interaction of ionizing radiation with matter. Molecules studied are ranged from simple diatomic and triatomic molecules to polyatomic molecules such as hydrocarbons. Most of the observed molecular superexcited states are assigned to high Rydber states which are vibrationally, doubly, or inner-core excited and converge to each of ion states. Non-Rydberg superexcited states are also observed. Dissociation into neutral fragments in comparison with ionization is of unexpectedly great importance in the observed decay of each of these state-assigned superexcited molecules. Dissociation dynamics as well as its products of superexcited states are remarkably different from those of lower excited states below about ionization thresholds. Some remarks are also presented of molecules in the condensed phase

The effect and correction of coupling generated by the RHIC triplet quadrupoles

International Nuclear Information System (INIS)

Pilat, F.; Peggs, S.; Tepikian, S.; Trbojevic, D.; Wei, J.

1995-01-01

This study explores the possibility of operating the nominal RHIC coupling correction system in local decoupling mode, where a subset of skew quadrupoles are independently set by minimizing the coupling as locally measured by beam position monitors. The goal is to establish a correction procedure for the skew quadrupole errors in the interaction region triplets that does not rely on a priori knowledge of the individual errors. After a description of the present coupling correction scheme envisioned for RHIC, the basics of the local decoupling method will be briefly recalled in the context of its implementation in the TEAPOT simulation code as well as operationally. The method is then applied to the RHIC lattice: a series of simple tests establish that single triplet skew quadrupole errors can be corrected by local decoupling. More realistic correction schemes are then studied in order to correct distributed sources of skew quadrupole errors: the machine can be decoupled either by pure local decoupling or by a combination of global (minimum tune separation) and local decoupling. The different correction schemes are successively validated and evaluated by standard RHIC simulation runs with the complete set of errors and corrections. The different solutions and results are finally discussed together with their implications for the hardware

Three-dimensional theory for light-matter interaction

DEFF Research Database (Denmark)

Sørensen, Martin Westring; Sørensen, Anders Søndberg

2008-01-01

We present a full quantum mechanical three dimensional theory describing an electromagnetic field interacting with an ensemble of identical atoms. The theory is constructed such that it describes recent experiments on light-matter quantum interfaces, where the quantum fluctuations of light...... to a dressed state picture, where the light modes are solutions to the diffraction problem, and develop a perturbative expansion in the fluctuations. The fluctuations are due to quantum fluctuations as well as the random positions of the atoms. In this perturbative expansion we show how the quantum...... fluctuations are mapped between atoms and light while the random positioning of the atoms give rise to decay due to spontaneous emission. Furthermore we identify limits, where the full three dimensional theory reduce to the one dimensional theory typically used to describe the interaction....

Interactions between nitrogen molecules and barium atoms on Ru (0001) surface

International Nuclear Information System (INIS)

Zhao Xinxin; Mi Yiming; Xu Hongxia; Wang Lili; Ren Li; Tao Xiangming; Tan Mingqiu

2011-01-01

We had performed first principles calculations on interactions between nitrogen molecules and barium atoms on Ru (0001) surface using density function theory methods. It was shown that effects of barium atoms weakened the bond strength of nitrogen molecules. The bond length of nitrogen molecule increases from 0.113 nm on Ru (001)-N 2 to 0.120 nm on Ru (001)-N 2 /Ba surface. While stretch vibrational frequency of nitrogen molecule decreased from 2222 cm -1 and charge transfer toward nitrogen molecule increased from 0.3 e to 1.1 e. Charge was mainly translated from 6 s orbitals of barium atoms to 4 d orbitals of substrate, which enhanced the hybridization between 4 d and 2 π orbitals and increased the dipole moment of 5 σ and d π orbitals of nitrogen molecule. The molecular dipole moment of nitrogen molecule was increased by -0.136 e Anstrom. It was suggested that barium had some characters to be an electronic promoter on the process of activating nitrogen molecules on Ru (0001) surface. (authors)

Structural Analysis of ‘key’ Interactions in Functional RNA Molecules

KAUST Repository

Chawla, Mohit

2018-04-01

The main objective of the thesis is to carry out structural bioinformatics study along with usage of advanced quantum chemical methods to look at the structural stability and energetics of RNA building blocks. The main focus of the work described here lies on understanding the reasons behind the intrinsic stability of key interactions in nucleic acids. Crystal structures of RNA molecules exhibit fascinating variety of non-covalent interactions, which play an important role in maintaining the three dimensional structures. An accurate atomic level description of these interactions in the structural building blocks of RNA is a key to understand the structure-function relationship in these molecules. An effort has been made to link the conclusions drawn from quantum chemical computations on RNA base pairs in wide biochemical context of their occurrence in RNA structures. The initial attention was on the impact of natural and non-natural modifications of the nucleic acid bases on the structure and stability of base pairs that they are involved in. In the remaining sections we cover other molecular interactions shaping nucleic acids, as the interaction between ribose and the bases, and the fluoride sensing riboswitch system in order to investigate structure and dynamics of nucleic acids at the atomic level and to gain insight into the physical chemistry behind.

Structural Analysis of ‘key’ Interactions in Functional RNA Molecules

KAUST Repository

Chawla, Mohit

2018-01-01

The main objective of the thesis is to carry out structural bioinformatics study along with usage of advanced quantum chemical methods to look at the structural stability and energetics of RNA building blocks. The main focus of the work described here lies on understanding the reasons behind the intrinsic stability of key interactions in nucleic acids. Crystal structures of RNA molecules exhibit fascinating variety of non-covalent interactions, which play an important role in maintaining the three dimensional structures. An accurate atomic level description of these interactions in the structural building blocks of RNA is a key to understand the structure-function relationship in these molecules. An effort has been made to link the conclusions drawn from quantum chemical computations on RNA base pairs in wide biochemical context of their occurrence in RNA structures. The initial attention was on the impact of natural and non-natural modifications of the nucleic acid bases on the structure and stability of base pairs that they are involved in. In the remaining sections we cover other molecular interactions shaping nucleic acids, as the interaction between ribose and the bases, and the fluoride sensing riboswitch system in order to investigate structure and dynamics of nucleic acids at the atomic level and to gain insight into the physical chemistry behind.

Enhanced solar light absorption of graphene by interaction with anisole

KAUST Repository

Kahaly, M. Upadhyay

2014-10-01

We study suspended graphene in contact with the organic molecule anisole to analyse the implications of the interaction for the optical absorption, using first principle calculations. Because of a weak interaction multiple orientations of the molecule with respect to the graphene sheet are possible. A substantial enhancement of the optical absorption independent of the specific orientation is observed, which is promising for energy harvesting. © 2014 Elsevier Ltd. All rights reserved.

A strong focussing cylindrical electrostatic quadrupole

International Nuclear Information System (INIS)

Sheng Yaochang

1986-01-01

The construction and performance of small cylindrical electrostatic quadrupole, which is installed in JM-400 pulse electrostatic accelerator, are described. This electrostatic quadrupole is not only used in neutron generator, but also suitable for ion injector as well as for low energy electron accelerator

Mode selectivity in cluster-molecule interactions: Ni13 + D2

International Nuclear Information System (INIS)

Jellinek, J.; Guevenc, Z.B.

1991-01-01

Results of a detailed quasiclassical simulation study of the Ni 13 + D 2 collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented. 13 refs., 6 figs

High-Energy Gun-Injected Toroidal Quadrupole

International Nuclear Information System (INIS)

Hammel, J.E.; Henins, I.; Kewish, R.W. Jr.; Marshall, J.; Sherwood, A.R.

1971-01-01

A quadrupole device is being used to investigate the trapping and containment of an energetic gun plasma. The quadrupole is designed to contain a peak density of 5 x 10 13 cm -3 at 2.5 keV within the MHD-stable region. At design field there are 5 gyro-radii for 2. 5-keV protons from the separatrix to the ψ crit . The interior conductors are directly driven with a 0.8-MJ capacitor bank. The current to the coils is fed through a single pair of dipole-guarded conductors to each coil. The coils are also supported from the current feed, The dipole guard is in a force-free configuration with 5 gyro-radii for 2. 5-keV protons from the separatrix (between the dipole and quadrupole fields) to the dipole surface. The dipole is designed so that loss of plasma from the dipole region will be directed away from the interior conductors. This feature is necessary for the prevention of contamination by secondary gas produced by plasma lost at the dipole guard. Experiments at one-half design value of magnetic field have shown that the kilovolt energy gun plasma is trapped by depolarization currents around the coils, and that a very high percentage (>50%) of the gun output can be trapped. The plasma density is measured by a unique Michelson interferometer using CO 2 laser light. The energy of the plasma is derived from magnetic pickup loops placed outside the containment region. The leak caused by the dipole guard Held has been examined by double electric probe measurements. The plasma drift thus inferred is an order of magnitude less than that predicted by a model of Meade's or by calculations by us. This casts doubt upon the validity of any such simple model and emphasizes the necessity of further experimental investigation of the matter. New coils which are being built to operate at full design magnetic field strength will allow a check on the containment time of the device for kilovolt energy plasma. (author)

Probing Enzyme-Surface Interactions via Protein Engineering and Single-Molecule Techniques

Science.gov (United States)

2017-06-26

SECURITY CLASSIFICATION OF: The overall objective of this research was to exploit protein engineering and fluorescence single-molecule methods to...enhance our understanding of the interaction of proteins and surfaces. Given this objective, the specific aims of this research were to: 1) exploit the...incorporation of unnatural amino acids in proteins to introduce single-molecule probes (i.e., fluorophores for fluorescence resonance energy transfer

Study of dynamic behavior of EDTA molecule in solution using perturbed gamma-gamma angular correlation spectroscopy

International Nuclear Information System (INIS)

Amaral, Antonio A.; Silva, Andreia dos S.; Carbonari, Arthur W.; Lapolli, Andre L.

2009-01-01

In this work, PAC spectroscopy has been used to obtain the hyperfine parameters in EDTA molecules in solutions with pH 4.3 and pH 10.5 both measured at 77 K and 295 K using 181 Hf( 181 Ta) as probe nuclei. Both dynamic and static interactions were measured in aqueous solution, crystallized and re-hydrated samples in order to examine the motion and structure of EDTA-molecules. The hyperfine parameters, quadrupole interaction frequency (ν Q ), asymmetry (η), and the dynamic interaction frequency (λ) were obtained. The outcomes show that the rotational correlation time (τ CR ) is larger than the half-life of the intermediate state of probe nuclei. For samples with pH 4.3 and pH 10.5, it was observed an increase in ν Q when the temperature decreases, as expected, and also a variation of η, which is an evidence of a change in the EDTA molecule structure. 181 Hf is bound only to a single molecule site when the pH was 4.3, differently from the results for pH 10.5 sample, which showed two fractions with different ν Q indicating the possibility of 181 Hf being bonded to two different sites of the molecule. Measurements of the dehydrated sample presented different results leading us to conclude that the preparation procedure can causes alterations in the chemical bounds. Concluding, these results showed a systematic behavior of the 181 Hf-EDTA, with the variation of pH from 4 to approximately 11, and they are important to the knowledge of the dynamic behavior of this molecule. (author)

Effective interactions and coupling schemes in nuclei

International Nuclear Information System (INIS)

Talmi, I.

1994-01-01

Eigenstates of the shell model are obtained by diagonalization of the Hamiltonian submatrix defined by a given shell model subspace. Matrix elements of the effective nuclear interaction can be determined from experiment in a consistent way. This approach was introduced in 1956 with the 38 Cl- 40 K spectra, has been applied in many cases and its latest success is in the s, d shell. This way, general features of the effective interaction have been determined. The T=1 interaction is diagonal in the seniority scheme as clearly demonstrated in proton 1g 9/2 n and 1h 11/2 n configurations and in the description of semimagic nuclei by generalized seniority. Apart from a strong and attractive pairing term, T=1 interactions are repulsive on the average. The T=0 interaction is attractive and is the origin of the central potential well in which nucleons are bound. It breaks seniority in a major way leading to deformed nuclei and rotational spectra. Such an interaction may be approximated by a quadrupole-quadrupole interaction which is the basis of the interacting boson model. Identical nucleons with pairing and quadrupole interactions cannot be models of actual nuclei. Symmetry properties of states with maximum T are very different from those of ground states of actual nuclei. The T=1 interaction between identical nucleons cannot be approximated by pairing and quadrupole interactions. The rich variety of nuclear spectra is due to the competition between seniority conserving T=1 interactions and the T=0 quadrupole interaction between protons and neutrons. (orig.)

Theoretical model for ultracold molecule formation via adaptive feedback control

OpenAIRE

Poschinger, Ulrich; Salzmann, Wenzel; Wester, Roland; Weidemueller, Matthias; Koch, Christiane P.; Kosloff, Ronnie

2006-01-01

We investigate pump-dump photoassociation of ultracold molecules with amplitude- and phase-modulated femtosecond laser pulses. For this purpose a perturbative model for the light-matter interaction is developed and combined with a genetic algorithm for adaptive feedback control of the laser pulse shapes. The model is applied to the formation of 85Rb2 molecules in a magneto-optical trap. We find for optimized pulse shapes an improvement for the formation of ground state molecules by more than ...

The Features of Moessbauer Spectra of Hemoglobins: Approximation by Superposition of Quadrupole Doublets or by Quadrupole Splitting Distribution?

International Nuclear Information System (INIS)

Oshtrakh, M. I.; Semionkin, V. A.

2004-01-01

Moessbauer spectra of hemoglobins have some features in the range of liquid nitrogen temperature: a non-Lorentzian asymmetric line shape for oxyhemoglobins and symmetric Lorentzian line shape for deoxyhemoglobins. A comparison of the approximation of the hemoglobin Moessbauer spectra by a superposition of two quadrupole doublets and by a distribution of the quadrupole splitting demonstrates that a superposition of two quadrupole doublets is more reliable and may reflect the non-equivalent iron electronic structure and the stereochemistry in the α- and β-subunits of hemoglobin tetramers.

Design principles of natural light-harvesting as revealed by single molecule spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Krüger, T.P.J., E-mail: tjaart.kruger@up.ac.za [Department of Physics, University of Pretoria, Private bag X20, Hatfield 0028 (South Africa); Grondelle, R. van [Department of Physics and Astronomy, VU University Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands)

2016-01-01

Biology offers a boundless source of adaptation, innovation, and inspiration. A wide range of photosynthetic organisms exist that are capable of harvesting solar light in an exceptionally efficient way, using abundant and low-cost materials. These natural light-harvesting complexes consist of proteins that strongly bind a high density of chromophores to capture solar photons and rapidly transfer the excitation energy to the photochemical reaction centre. The amount of harvested light is also delicately tuned to the level of solar radiation to maintain a constant energy throughput at the reaction centre and avoid the accumulation of the products of charge separation. In this Review, recent developments in the understanding of light-harvesting by plants will be discussed, based on results obtained from single molecule spectroscopy studies. Three design principles of the main light-harvesting antenna of plants will be highlighted: (a) fine, photoactive control over the intrinsic protein disorder to efficiently use intrinsically available thermal energy dissipation mechanisms; (b) the design of the protein microenvironment of a low-energy chromophore dimer to control the amount of shade absorption; (c) the design of the exciton manifold to ensure efficient funneling of the harvested light to the terminal emitter cluster.

Trapping of Electron Cloud LLC/Cesrta Quadrupole and Sextupole Magnets

International Nuclear Information System (INIS)

Wang, L.

2011-01-01

The Cornell Electron Storage Ring (CESR) has been reconfigured as an ultra low emittance damping ring for use as a test accelerator (CesrTA) for International Linear Collider (ILC) damping ring R and D (1). One of the primary goals of the CesrTA program is to investigate the interaction of the electron cloud with low emittance positron beam to explore methods to suppress the electron cloud, develop suitable advanced instrumentation required for these experimental studies and benchmark predictions by simulation codes. This paper reports the simulation of the electron-cloud formation in CESRTA and ILC quadrupole and sextupole magnets using the 3D code CLOUDLAND. We found that electrons can be trapped with a long lifetime in a quadrupole and sextupole magnet due to the mirror field trapping mechanism. We study the effects of magnet strength, bunch current, ante-chamber effect, bunch spacing effect and secondary emission yield (SEY) in great detail. The development of an electron cloud in magnets is the main concern where a weak solenoid field is not effective. Quadrupole and sextupole magnets have mirror field configurations which may trap electrons by the mirror field trapping mechanism (2). Fig.1 shows the orbit of a trapped electron in a quadrupole magnet. The electron makes gyration motion (called transverse motion) and also moves along the field line (called longitudinal motion). At the mirror point (middle of the field line), there is a maximum longitudinal energy and minimum transverse energy. When the electron moves away from the mirror point, its longitudinal energy reduces and the transverse energy increases as the magnetic field increases. If the magnetic field is strong enough, the longitudinal energy becomes zero at one point and then the electron is turned back by the strong field. Note that the electrons are trapped in the region near the middle of the field lines. Although all quadrupole and sextupole magnets can trap electrons in principle, the

Vibrationally induced nuclear quadrupole coupling in the v3 = 1 state of 189OsO4

International Nuclear Information System (INIS)

Scappini, F.; Kreiner, W.A.; Frye, J.M.; Oka, T.

1987-01-01

Electric nuclear quadrupole hyperfine structure arising from a quadrupolar nucleus at the center of tetrahedral molecules, such as 189 OsO 4 , is symmetry forbidden. However, through vibration--rotation distortion a small nuclear quadrupole coupling is induced. The hyperfine structure due to the vibrationally induced eqQ has been measured for a number of P- and R-branch transitions in the ν 3 fundamental of 189 OsO 4 , by using inverse Lamb dip spectroscopy. Microwave modulation sidebands of CO 2 laser lines have been used as the tunable infrared radiation. From the analysis of the observed hyperfine structure patterns, the values of the scalar and tensor coupling constants have been determined to be chi/sup V//sub s/ = -4.103 +- 0.048 MHz and chi/sup V//sub t/ = -3.090 +- 0.059 MHz

The fabrication of small molecule organic light-emitting diode pixels by laser-induced forward transfer

Science.gov (United States)

Shaw-Stewart, J. R. H.; Mattle, T.; Lippert, T. K.; Nagel, M.; Nüesch, F. A.; Wokaun, A.

2013-01-01

Laser-induced forward transfer (LIFT) is a versatile organic light-emitting diode (OLED) pixel deposition process, but has hitherto been applied exclusively to polymeric materials. Here, a modified LIFT process has been used to fabricate small molecule Alq3 organic light-emitting diodes (SMOLEDs). Small molecule thin films are considerably more mechanically brittle than polymeric thin films, which posed significant challenges for LIFT of these materials. The LIFT process presented here uses a polymeric dynamic release layer, a reduced environmental pressure, and a well-defined receiver-donor gap. The Alq3 pixels demonstrate good morphology and functionality, even when compared to conventionally fabricated OLEDs. The Alq3 SMOLED pixel performances show a significant amount of fluence dependence, not observed with polymerical OLED pixels made in previous studies. A layer of tetrabutyl ammonium hydroxide has been deposited on top of the aluminium cathode, as part of the donor substrate, to improve electron injection to the Alq3, by over 600%. These results demonstrate that this variant of LIFT is applicable for the deposition of functional small molecule OLEDs as well as polymeric OLEDs.

Thermogravimetric-quadrupole mass-spectrometric analysis of geochemical samples.

Science.gov (United States)

Gibson, E. K., Jr.; Johnson, S. M.

1972-01-01

Thermogravimetric-quadrupole mass-spectrometric-analysis techniques can be used to study a wide variety of problems involving decomposition processes and identification of released volatile components. A recording vacuum thermoanalyzer has been coupled with a quadrupole mass spectrometer. The rapid scan capabilities of the quadrupole mass spectrometer are used to identify the gaseous components released. The capability of the thermogravimetric-quadrupole mass spectrometer to provide analytical data for identification of the released volatile components, for determination of their sequence of release and for correlation of thermal-decomposition studies is illustrated by an analysis of the Orgueil carbonaceous chondrite.

Detection of light-matter interaction in the weak-coupling regime by quantum light

Science.gov (United States)

Bin, Qian; Lü, Xin-You; Zheng, Li-Li; Bin, Shang-Wu; Wu, Ying

2018-04-01

"Mollow spectroscopy" is a photon statistics spectroscopy, obtained by scanning the quantum light scattered from a source system. Here, we apply this technique to detect the weak light-matter interaction between the cavity and atom (or a mechanical oscillator) when the strong system dissipation is included. We find that the weak interaction can be measured with high accuracy when exciting the target cavity by quantum light scattered from the source halfway between the central peak and each side peak. This originally comes from the strong correlation of the injected quantum photons. In principle, our proposal can be applied into the normal cavity quantum electrodynamics system described by the Jaynes-Cummings model and an optomechanical system. Furthermore, it is state of the art for experiment even when the interaction strength is reduced to a very small value.

Mitigating radiation loads in Nb_{3}Sn quadrupoles for the CERN Large Hadron Collider upgrades

Directory of Open Access Journals (Sweden)

N. V. Mokhov

2006-10-01

Full Text Available Challenging beam-induced energy deposition issues are addressed for the next generation of the LHC high-luminosity interaction regions based on Nb_{3}Sn quadrupoles. Detailed mars15 Monte Carlo energy deposition calculations are performed for various coil diameters, thicknesses, and materials of the inner absorber at a field gradient of 200   T/m. It is shown that using the inner absorber made of tungsten-based materials can make the final focus superconducting quadrupoles compatible with a luminosity of 10^{35}   cm^{-2} s^{-1}.

Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390 (United States)

2015-12-07

We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.

Optically polarized atoms understanding light-atom interactions

CERN Document Server

Auzinsh, Marcis; Rochester, Simon M

2010-01-01

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

Investigation into interaction of CO/sub 2/ molecules with zeolites by infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ignat' eva, L A; Levshin, L V; Chukin, G D; Efimenko, L V; Kozlova, T I [Moskovskij Gosudarstvennyj Univ. (USSR). Kafedra Optiki

1975-07-01

Interaction of CO/sub 2/ molecules with zeolites, particularly with SrNaJ was studied by infrared-spectroscopy. To obtain infrared-spectra the zeolites were pressed into tablets and were calcinated at 500 deg. In the spectra the bands of chemisorbed CO/sub 2/ absorption were found in the range 1300 - 1600 cm/sup -1/. The CO/sub 2/ molecule was found to be strongly deformed due to chemisorption. In terms of electronic structure of the zeolite crystalline skeleton several types of CO/sub 2/ molecules interaction with different active zeolites were found. The position of the high-frequency band of CO/sub 2/ absorption in zeolites spectra was found to be a linear function of electrostatic field of the cations.

Methylobacterium-plant interaction genes regulated by plant exudate and quorum sensing molecules

Directory of Open Access Journals (Sweden)

Manuella Nóbrega Dourado

2013-12-01

Full Text Available Bacteria from the genus Methylobacterium interact symbiotically (endophytically and epiphytically with different plant species. These interactions can promote plant growth or induce systemic resistance, increasing plant fitness. The plant colonization is guided by molecular communication between bacteria-bacteria and bacteria-plants, where the bacteria recognize specific exuded compounds by other bacteria (e.g. homoserine molecules and/or by the plant roots (e.g. flavonoids, ethanol and methanol, respectively. In this context, the aim of this study was to evaluate the effect of quorum sensing molecules (N-acyl-homoserine lactones and plant exudates (including ethanol in the expression of a series of bacterial genes involved in Methylobacterium-plant interaction. The selected genes are related to bacterial metabolism (mxaF, adaptation to stressful environment (crtI, phoU and sss, to interactions with plant metabolism compounds (acdS and pathogenicity (patatin and phoU. Under in vitro conditions, our results showed the differential expression of some important genes related to metabolism, stress and pathogenesis, thereby AHL molecules up-regulate all tested genes, except phoU, while plant exudates induce only mxaF gene expression. In the presence of plant exudates there is a lower bacterial density (due the endophytic and epiphytic colonization, which produce less AHL, leading to down regulation of genes when compared to the control. Therefore, bacterial density, more than plant exudate, influences the expression of genes related to plant-bacteria interaction.

All systems go for LHC quadrupoles

CERN Multimedia

2003-01-01

The series fabrication of the Main Quadrupole cold masses for the LHC has begun with the delivery of the first unit on February 12th. The superconducting dipole magnets required to bend the proton beams around the LHC are often in the news. Less famous, perhaps, but equally important are the 360 main quadrupole (MQ) magnets, which will perform the principal focusing around the 27 km ring. CERN and CEA-Saclay began collaborating on the development and prototyping of these magnets in 1989. This resulted in five highly successful quadrupole units - also known as short straight sections - one of which was integrated for testing in String 1, and two others of the final design in String 2. Once the tests had confirmed the validity of the design and realization, the fabrication of the 360 cold masses had to be transferred to industry. After highly competitive tendering, the German firm ACCEL Instruments was entrusted both with the construction of the quadrupole magnets themselves, and with their assembly into the co...

Field quality measurements of the LQXB inner triplet quadrupoles for LHC

CERN Document Server

Velev, G V; Carcagno, R; Di Marco, J; Fehér, S; Glass, H; Kashikhin, V V; Kerby, J; Lamm, M J; Makulski, A; Nobrega, A; Nogiec, J; Orris, D; Peterson, T; Rabehl, Roger Jon; Schlabach, P; Strait, J; Sylvester, C D; Tartaglia, M; Tompkins, J C; Zlobin, A V

2005-01-01

As a part of the USLHC program, Fermilab is building half of the inner triplet quadrupole magnets for the LHC. Two identical quadrupoles (MQXB) with a dipole corrector between them in a single cryogenic unit (LQXB) comprise the Q2 optical element of the final focus triplets in the interaction regions. The 5.5 m long MQXB have a 70 mm aperture and operate in superfluid helium at 1.9 K with a peak field gradient of 215 T/m. Manufacturing of the 18 magnets is in an advanced stage. A program of magnetic field quality measurements of the magnets is performed at room temperature during magnet fabrication as well as at superfluid helium temperature during the cold qualification of each magnet. Results of the measurements are summarized in this paper. (12 refs).

Static quadrupole moment of the Kπ = 14+ isomer in 176W

International Nuclear Information System (INIS)

Ionescu-Bujor, M.; Iordachescu, A.; Bucurescu, D.; Brandolini, F.; Lenzi, S. M.; Pavan, P.; Rossi Alvarez, C.; Marginean, N.; Medina, N.H.; Ribas, R.V.; De Poli, M.; Napoli, D. R.; Podolyak, Zs.; Ur, C. A.

2001-01-01

The investigation of high-K isomeric states in the deformed nuclei of the A∼180 region has found renewed interest in recent years. Much experimental and theoretical work was devoted to understand the mechanisms which govern their decay to lower-lying states, particularly the anomalous strong decays to low-K states. Other questions of great importance are the quenching of the pairing correlations and the shape polarization effects in the high-seniority multi-quasiparticle excitations. Our interest focused on the 41 ns K π =14 + 3746 keV isomeric state with anomalous decay in 176 W. On the basis of a precise g-factor measurement we assigned to this isomer a pure four-quasiparticle configuration, composed by two protons in the 7/2 + [404] and 9/2 - [514] orbitals and two neutrons in the 7/2 + [633] and 5/2 - [512] orbitals. In the present work the measurement of its static quadrupole moment has been performed. Prior to our experiment, static quadrupole moments have been measured only for three high-K isomeric states of seniority ≥ 4 in the A∼180 region: 16 + in 178 Hf, 35/2 - in 179 W and 25 + in 182 Os. A deformation very similar to that of the ground state has been deduced for the 16 + isomer in 178 Hf, while for the high-K isomers in 179 W and 182 Os significantly smaller deformations were reported. The quadrupole interaction of the 14 + isomeric state in 176 W has been investigated in the electric field gradient (EFG) of the polycrystalline lattice of metallic Tl by applying the time-differential perturbed angular distribution method. For W impurities in Tl host the EFG strength and its temperature dependence have been recently reported. The isomer was populated in the 164 Dy( 16 O,4n) 176 W reaction using a 83 MeV 16 O pulsed beam (pulse width 1.5 ns, repetition period 800 ns) delivered by the XTU-Tandem of Laboratori Nazionali di Legnaro. The target consisted of 0.5 mg/cm 2 metallic 164 Dy on thick Tl backing in which both the recoiling 176 W nuclei and

Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules.

Science.gov (United States)

Hamidi-Asl, Ezat; Daems, Devin; De Wael, Karolien; Van Camp, Guy; Nagels, Luc J

2014-12-16

In the present paper, the utility of a special potentiometric titration approach for recognition and calculation of biomolecule/small-molecule interactions is reported. This approach is fast, sensitive, reproducible, and inexpensive in comparison to the other methods for the determination of the association constant values (Ka) and the interaction energies (ΔG). The potentiometric titration measurement is based on the use of a classical polymeric membrane indicator electrode in a solution of the small-molecule ligand. The biomolecule is used as a titrant. The potential is measured versus a reference electrode and transformed into a concentration-related signal over the entire concentration interval, also at low concentrations, where the millivolt (y-axis) versus log canalyte (x-axis) potentiometric calibration curve is not linear. In the procedure, Ka is calculated for the interaction of cocaine with a cocaine binding aptamer and with an anticocaine antibody. To study the selectivity and cross-reactivity, other oligonucleotides and aptamers are tested, as well as other small ligand molecules such as tetrakis(4-chlorophenyl)borate, metergoline, lidocaine, and bromhexine. The calculated Ka compared favorably to the value reported in the literature using surface plasmon resonance. The potentiometric titration approach called "concentration-related response potentiometry" is used to study molecular interaction for seven macromolecular target molecules and four small-molecule ligands.

Nonuniform radiation damage in permanent magnet quadrupoles.

Science.gov (United States)

Danly, C R; Merrill, F E; Barlow, D; Mariam, F G

2014-08-01

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL's pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

Nonuniform radiation damage in permanent magnet quadrupoles

International Nuclear Information System (INIS)

Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G.

2014-01-01

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components

Nonuniform radiation damage in permanent magnet quadrupoles

Energy Technology Data Exchange (ETDEWEB)

Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G. [Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)

2014-08-15

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

Ion-storage in radiofrequency electric quadrupole field

International Nuclear Information System (INIS)

Gheorghe, V.

1976-01-01

The confinement of charged particles in a quadrupole radiofrequency electric field are presented. The stability diagrams and phase space trajectories for the quadrupole mass spectrometer and for the ion trap are represented and their main characteristics are discussed. (author)

Tilted Light Sheet Microscopy with 3D Point Spread Functions for Single-Molecule Super-Resolution Imaging in Mammalian Cells.

Science.gov (United States)

Gustavsson, Anna-Karin; Petrov, Petar N; Lee, Maurice Y; Shechtman, Yoav; Moerner, W E

2018-02-01

To obtain a complete picture of subcellular nanostructures, cells must be imaged with high resolution in all three dimensions (3D). Here, we present tilted light sheet microscopy with 3D point spread functions (TILT3D), an imaging platform that combines a novel, tilted light sheet illumination strategy with engineered long axial range point spread functions (PSFs) for low-background, 3D super localization of single molecules as well as 3D super-resolution imaging in thick cells. TILT3D is built upon a standard inverted microscope and has minimal custom parts. The axial positions of the single molecules are encoded in the shape of the PSF rather than in the position or thickness of the light sheet, and the light sheet can therefore be formed using simple optics. The result is flexible and user-friendly 3D super-resolution imaging with tens of nm localization precision throughout thick mammalian cells. We validated TILT3D for 3D super-resolution imaging in mammalian cells by imaging mitochondria and the full nuclear lamina using the double-helix PSF for single-molecule detection and the recently developed Tetrapod PSF for fiducial bead tracking and live axial drift correction. We envision TILT3D to become an important tool not only for 3D super-resolution imaging, but also for live whole-cell single-particle and single-molecule tracking.

Tilted light sheet microscopy with 3D point spread functions for single-molecule super-resolution imaging in mammalian cells

Science.gov (United States)

Gustavsson, Anna-Karin; Petrov, Petar N.; Lee, Maurice Y.; Shechtman, Yoav; Moerner, W. E.

2018-02-01

To obtain a complete picture of subcellular nanostructures, cells must be imaged with high resolution in all three dimensions (3D). Here, we present tilted light sheet microscopy with 3D point spread functions (TILT3D), an imaging platform that combines a novel, tilted light sheet illumination strategy with engineered long axial range point spread functions (PSFs) for low-background, 3D super localization of single molecules as well as 3D super-resolution imaging in thick cells. TILT3D is built upon a standard inverted microscope and has minimal custom parts. The axial positions of the single molecules are encoded in the shape of the PSF rather than in the position or thickness of the light sheet, and the light sheet can therefore be formed using simple optics. The result is flexible and user-friendly 3D super-resolution imaging with tens of nm localization precision throughout thick mammalian cells. We validated TILT3D for 3D superresolution imaging in mammalian cells by imaging mitochondria and the full nuclear lamina using the double-helix PSF for single-molecule detection and the recently developed Tetrapod PSF for fiducial bead tracking and live axial drift correction. We envision TILT3D to become an important tool not only for 3D super-resolution imaging, but also for live whole-cell single-particle and single-molecule tracking.

Structured Light-Matter Interactions Enabled By Novel Photonic Materials

Energy Technology Data Exchange (ETDEWEB)

Litchinitser, Natalia [Univ. at Buffalo, NY (United States); Feng, Liang [Univ. at Buffalo, NY (United States)

2017-05-02

The synergy of complex materials and complex light is expected to add a new dimension to the science of light and its applications [1]. The goal of this program is to investigate novel phenomena emerging at the interface of these two branches of modern optics. While metamaterials research was largely focused on relatively “simple” linearly or circularly polarized light propagation in “complex” nanostructured, carefully designed materials with properties not found in nature, many singular optics studies addressed “complex” structured light transmission in “simple” homogeneous, isotropic, nondispersive transparent media, where both spin and orbital angular momentum are independently conserved. However, if both light and medium are complex so that structured light interacts with a metamaterial whose optical materials properties can be designed at will, the spin or angular momentum can change, which leads to spin-orbit interaction and many novel optical phenomena that will be studied in the proposed project. Indeed, metamaterials enable unprecedented control over light propagation, opening new avenues for using spin and quantum optical phenomena, and design flexibility facilitating new linear and nonlinear optical properties and functionalities, including negative index of refraction, magnetism at optical frequencies, giant optical activity, subwavelength imaging, cloaking, dispersion engineering, and unique phase-matching conditions for nonlinear optical interactions. In this research program we focused on structured light-matter interactions in complex media with three particularly remarkable properties that were enabled only with the emergence of metamaterials: extreme anisotropy, extreme material parameters, and magneto-electric coupling–bi-anisotropy and chirality.

The formation and interactions of cold and ultracold molecules: new challenges for interdisciplinary physics

Energy Technology Data Exchange (ETDEWEB)

Dulieu, O [Laboratoire Aime Cotton, CNRS, Bat. 505, Univ Paris-Sud 11, F-91405 Orsay Cedex (France); Gabbanini, C [Istituto per i processi chimico-fisici del C.N.R., Via Moruzzi 1, 56124 Pisa (Italy)], E-mail: olivier.dulieu@lac.u-psud.fr, E-mail: carlo@ipcf.cnr.it

2009-08-15

Progress on research in the field of molecules at cold and ultracold temperatures is reported in this review. It covers extensively the experimental methods to produce, detect and characterize cold and ultracold molecules including association of ultracold atoms, deceleration by external fields and kinematic cooling. Confinement of molecules in different kinds of traps is also discussed. The basic theoretical issues related to the knowledge of the molecular structure, the atom-molecule and molecule-molecule mutual interactions, and to their possible manipulation and control with external fields, are reviewed. A short discussion on the broad area of applications completes the review.

Light-Matter Interactions in Phosphorene.

Science.gov (United States)

Lu, Junpeng; Yang, Jiong; Carvalho, Alexandra; Liu, Hongwei; Lu, Yuerui; Sow, Chorng Haur

2016-09-20

Since the beginning of 2014, phosphorene, a monolayer or few-layer of black phosphorus, has been rediscovered as a two-dimensional (2D) thin film, revealing a plethora of properties different from the bulk material studied so far. Similar to graphene and transition metal dichalcogenides (TMDs), phosphorene is also a layered material that can be exfoliated to yield individual layers. It is one of the few monoelemental 2D crystals and the only one, besides graphene, known to be stable in monolayer, few layer, and bulk form. Recently the intensified research in phosphorene is motivated not only by the study of its fundamental physical properties in the 2D regime, such as tunable bandgap and anisotropic behavior, but also by the high carrier mobility and good on/off ratio of phosphorene-based device prototypes, making it a potential alternative for next generation nanooptoelectronics and nanophotonics applications in the "post-graphene age" The electronic bandgap of phosphorene changes from 0.3 eV in the bulk to 2.1 eV in monolayer. Thus, phosphorene exhibits strong light-matter interactions in the visible and infrared (IR) frequencies. In this Account, we present the progress on understanding the various interactions between light and phosphorene, giving insight into the mechanism of these interactions and the respective applications. We begin by discussing the fundamental optical properties of phosphorene, using theoretical calculations to depict the layer-dependent electronic band structures and anisotropic optical properties. Many-body effects in phosphorene, including excitons and trions and their binding energies and dynamics are reviewed as observed in experiments. For phosphorene, the fast degradation in ambient condition, caused by photoinduced oxidation, is considered as a longstanding challenge. In contrast, oxidation can be used to engineer the band structure of phosphorene and, in parallel, its optical properties. Based on the strong light

The impact of QCD and light-cone quantum mechanics on nuclear physics

International Nuclear Information System (INIS)

Brodsky, S.J.; Schlumpf, F.

1994-12-01

We discuss a number of novel applications of Quantum Chromodynamics to nuclear structure and dynamics, such as the reduced amplitude formalism for exclusive nuclear amplitudes. We particularly emphasize the importance of light-cone Hamiltonian and Fock State methods as a tool for describing the wavefunctions of composite relativistic many-body systems and their interactions. We also show that the use of covariant kinematics leads to nontrivial corrections to the standard formulae for the axial, magnetic, and quadrupole moments of nucleons and nuclei

Spinodal Theory: A Common Rupturing Mechanism in Spinodal Dewetting and Surface Directed Phase Separation (Some Technological Aspects: Spatial Correlations and the Significance of Dipole-Quadrupole Interaction in Spinodal Dewetting)

International Nuclear Information System (INIS)

Singh, S.P.; Singh, S.P.

2011-01-01

The emerging structures in spinodal dewetting of thin nano films and spinodal decomposition of binary mixtures are found to be similar with certain differences attributed to the nonlinearities inherent in the wetting forces. This paper deals with the technological aspects of the spinodal processes by giving a brief account of the theory and to correlate the two phenomena termed as spinodal dewetting of thin nano films and surface-directed phase separation. The MC simulation micrographs at early stage of spinodal dewetting of a (linear) polymer film confined between two hard walls (using FENE potential between the beads on same chain and Morse potential between inter and intra chain beads) show similarities with surface-directed phase separation (using metropolis algorithm) in creation of holes. The spinodal dewetting is also criticized on the basis of global minimization of free energy emerging from dipole-quadrupole interactions. A novel molecular scale-driving mechanism coming from asymmetric interface formation in spinodal processes is also proposed. It can be believed that the modeling done with the films under confinement of two walls works as a classical mathematical Ansatz to the dipole-quadrupole interaction coming from quantum origins and giving rise to lateral interactions in the process reflecting a colossal behavior in thin nano films though weak in nature

Spinodal Theory: A Common Rupturing Mechanism in Spinodal Dewetting and Surface Directed Phase Separation (Some Technological Aspects: Spatial Correlations and the Significance of Dipole-Quadrupole Interaction in Spinodal Dewetting

Directory of Open Access Journals (Sweden)

Satya Pal Singh

2011-01-01

Full Text Available The emerging structures in spinodal dewetting of thin nano films and spinodal decomposition of binary mixtures are found to be similar with certain differences attributed to the nonlinearities inherent in the wetting forces. This paper deals with the technological aspects of the spinodal processes by giving a brief account of the theory and to correlate the two phenomena termed as spinodal dewetting of thin nanofilms and surface-directed phase separation. The MC simulation micrographs at early stage of spinodal dewetting of a (linear polymer film confined between two hard walls (using FENE potential between the beads on same chain and Morse potential between inter and intra chain beads show similarities with surface-directed phase separation (using metropolis algorithm in creation of holes. The spinodal dewetting is also criticized on the basis of global minimization of free energy emerging from dipole-quadrupole interactions. A novel molecular scale-driving mechanism coming from asymmetric interface formation in spinodal processes is also proposed. It can be believed that the modeling done with the films under confinement of two walls works as a classical mathematical ansatz to the dipole-quadrupole interaction coming from quantum origins and giving rise to lateral interactions in the process reflecting a colossal behavior in thin nano films though weak in nature.

Generator coordinate method for triaxial quadrupole collective dynamics in strontium isotopes

International Nuclear Information System (INIS)

Bonche, P.; Dobaczewski, J.; Flocard, H.; Heenen, P.H.

1991-01-01

We discuss the algebraic structure of the generator coordinate method for triaxial quadrupole collective motion. The collective solutions are classified according to the representations of the permutation group of the intrinsic axes. Our method amounts to an approximate angular momentum projection. We apply it to a study of the spherical to deformed shape transition in light even strontium isotopes 78-88 Sr. We find that triaxial configurations play a significant role in explaining the structure of the transitional isotopes 80-82 Sr

Instantaneous interactions of hadrons on the light cone

International Nuclear Information System (INIS)

Hyer, T.

1994-01-01

Hadron wave functions are most naturally defined in the framework of light-cone quantization, a Hamiltonian formulation quantized at equal light-cone ''time'' τ≡t+z. One feature of the light-cone perturbation theory is the presence of instantaneous interactions, which complicate the consideration of processes involving bound states. We show that these interactions can be written in a simple and general form, parametrized by an instantaneous contribution ψ to the hadronic wave function. We use the rotational invariance of Feynman diagrams to relate this instantaneous piece of the meson wave function to the propagating part, and to obtain constraints relating wave functions and quark fragmentation amplitudes

Precise calculations of the deuteron quadrupole moment

Energy Technology Data Exchange (ETDEWEB)

Gross, Franz L. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2016-06-01

Recently, two calculations of the deuteron quadrupole moment have have given predictions that agree with the measured value to within 1%, resolving a long-standing discrepancy. One of these uses the covariant spectator theory (CST) and the other chiral effective field theory (cEFT). In this talk I will first briefly review the foundations and history of the CST, and then compare these two calculations with emphasis on how the same physical processes are being described using very different language. The comparison of the two methods gives new insights into the dynamics of the low energy NN interaction.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

Energy Technology Data Exchange (ETDEWEB)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de [Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Institut für Weiche Materie und Funktionale Materialen, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner Platz 1, 14109 Berlin (Germany)

2015-11-07

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

International Nuclear Information System (INIS)

Heinemann, Thomas; Klapp, Sabine H. L.; Palczynski, Karol; Dzubiella, Joachim

2015-01-01

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene

Transfer mechanisms between emitter molecules for OLED applications

Energy Technology Data Exchange (ETDEWEB)

Steinbacher, Frank [Department of Materials Science VI, University of Erlangen-Nuernberg (Germany); Siemens AG, CT MM 1, Erlangen (Germany); Chiu, Chien-Shu [Department of Electrical Engineering and Information Technology, Technical University of Braunschweig (Germany); Siemens AG, CT MM 1, Erlangen (Germany); Krause, Ralf; Hunze, Arvid [Siemens AG, CT MM 1, Erlangen (Germany); Winnacker, Albrecht [Department of Materials Science VI, University of Erlangen-Nuernberg (Germany)

2009-07-01

Within the last few years white organic light emitting diodes based on small molecules have shown the potential to have a promising future in the field of lighting technology. Nevertheless there is still room for improvement of the overall efficiency and lifetime of white OLEDs. A deeper understanding of the energy transfer mechanisms between different matrix and emitter molecules used in the OLED stack concept can help to optimize the layout and reduce driving voltage thus increasing the power efficiency and color stability of the device. To simplify the complex interactions within a complete white OLED we start out with a basic model system only containing the molecules of interest. This enables us to predict the fundamental concepts causing the behavior of more intricate systems. Using photoluminescence, excitation spectra and time-resolved photoluminescence we investigated the exciton transfer between different dyes for a variety of emitter systems. Our results indicate a dependence of exciton transfer probability on the total concentrations and therefore the distance between the molecules involved.

Quadrupole Ion Traps

Indian Academy of Sciences (India)

to do precision spectroscopic measurements on these ions. ... Bonn, investigated the non-magnetic quadrupole mass filter, .... the details of which will be discussed in the subse- ... the radial plane the ion undergoes a circular motion with the.

MEASURING LOCAL GRADIENT AND SKEW QUADRUPOLE ERRORS IN RHIC IRS

International Nuclear Information System (INIS)

CARDONA, J.; PEGGS, S.; PILAT, R.; PTITSYN, V.

2004-01-01

The measurement of local linear errors at RHIC interaction regions using an ''action and phase'' analysis of difference orbits has already been presented [2]. This paper evaluates the accuracy of this technique using difference orbits that were taken when known gradient errors and skew quadrupole errors were intentionally introduced. It also presents action and phase analysis of simulated orbits when controlled errors are intentionally placed in a RHIC simulation model

SUPERCONDUCTING QUADRUPOLE ARRAYS FOR MULTIPLE BEAM TRANSPORT

International Nuclear Information System (INIS)

Rainer Meinke Carl Goodzeit Penny Ball Roger Bangerter

2003-01-01

The goal of this research was to develop concepts for affordable, fully functional arrays of superconducting quadrupoles for multi-beam transport and focusing in heavy ion fusion (HIF)accelerators. Previous studies by the Virtual National Laboratory (VNL) collaboration have shown that the multi-beam transport system (consisting of alternating gradient quadrupole magnets, a beam vacuum system, and the beam monitor and control system) will likely be one of the most expensive and critical parts of such an accelerator. This statement is true for near-term fusion research accelerators as well as accelerators for the ultimate goal of power production via inertial fusion. For this reason, research on superconducting quadrupole arrays is both timely and important for the inertial fusion energy (IFE) research program. This research will also benefit near-term heavy ion fusion facilities such as the Integrated Research Experiment (IRE)and/or the Integrated Beam Experiment (IBX). We considered a 2-prong approach that addresses the needs of both the nearer and longer term requirements of the inertial fusion program. First, we studied the flat coil quadrupole design that was developed by LLNL; this magnet is 150 mm long with a 50 mm aperture and thus is suitable for near term experiments that require magnets of a small length to aperture ratio. Secondly, we studied the novel double-helix quadrupole (DHQ) design in a small (3 x 3) array configuration; this design can provide an important step to the longer term solution of loW--cost, easy to manufacture array constructions. Our Phase I studies were performed using the AMPERES magnetostatic analysis software. Consideration of these results led to plans for future magnet RandD construction projects. The first objective of Phase I was to develop the concept of a superconducting focusing array that meets the specific requirements of a heavy ion fusion accelerator. Detailed parameter studies for such quadrupole arrays were performed

SUPERCONDUCTING QUADRUPOLE ARRAYS FOR MULTIPLE BEAM TRANSPORT

Energy Technology Data Exchange (ETDEWEB)

Rainer Meinke

2003-10-01

The goal of this research was to develop concepts for affordable, fully functional arrays of superconducting quadrupoles for multi-beam transport and focusing in heavy ion fusion (HIF)accelerators. Previous studies by the Virtual National Laboratory (VNL) collaboration have shown that the multi-beam transport system (consisting of alternating gradient quadrupole magnets, a beam vacuum system, and the beam monitor and control system) will likely be one of the most expensive and critical parts of such an accelerator. This statement is true for near-term fusion research accelerators as well as accelerators for the ultimate goal of power production via inertial fusion. For this reason, research on superconducting quadrupole arrays is both timely and important for the inertial fusion energy (IFE) research program. This research will also benefit near-term heavy ion fusion facilities such as the Integrated Research Experiment (IRE)and/or the Integrated Beam Experiment (IBX). We considered a 2-prong approach that addresses the needs of both the nearer and longer term requirements of the inertial fusion program. First, we studied the flat coil quadrupole design that was developed by LLNL; this magnet is 150 mm long with a 50 mm aperture and thus is suitable for near term experiments that require magnets of a small length to aperture ratio. Secondly, we studied the novel double-helix quadrupole (DHQ) design in a small (3 x 3) array configuration; this design can provide an important step to the longer term solution of low-cost, easy to manufacture array constructions. Our Phase I studies were performed using the AMPERES magnetostatic analysis software. Consideration of these results led to plans for future magnet R&D construction projects. The first objective of Phase I was to develop the concept of a superconducting focusing array that meets the specific requirements of a heavy ion fusion accelerator. Detailed parameter studies for such quadrupole arrays were performed

Muonic atom-light nucleus interaction

International Nuclear Information System (INIS)

Kuz'michev, V.E.; Peresypkin, V.V.; Efetov, A.V.

1991-01-01

The effective potential of the interaction between light nucleus and two-particle atom at distances greater than its Bohr radius is obtained in the analytic form on the basis of a correct account of three Coulomb particle problem. Features of the interaction between p, t, 4 He, 7 Be nuclei and mesonic atoms μp, μt, μ 4 He and μ 7 Be, that arising from the differences in masses and charges of interacting particles, are studied. The corresponding potentials in the pre-threshold energy range are given. The coefficients of the symptotic formula for the effective are calculated in adiabatic approximation and with regard for the main off-shell corrections. 16 refs.; 4 figs

Development of a neutron-polarizing device based on a quadrupole magnet and its application to a focusing SANS instrument

International Nuclear Information System (INIS)

Oku, Takayuki

2009-01-01

We have investigated suitable magnetic field distribution to polarize neutrons based only on the electromagnetic interaction between a neutron magnetic moment and magnetic field, and found out a quadrupole field was the most suitable among simple multipole fields. Then we constructed a quadrupole magnet with a Halbach magnetic circuit as the neutron polarizing device. A cold neutron polarizing experiment of the quadrupole magnet was performed at the beamline C3-1-2-1 (NOP) of JRR-3 at JAEA. By passing through the aperture of the quadrupole magnet, positive and negative polarity neutrons are accelerated in opposite directions and spatially separated. Therefore, we extracted the one-spin component and analyzed its polarization degree. As a result very high neutron polarization degree P=0.9993±0.0025 was obtained. Then the quadrupole magnet was installed into the polarized neutron focusing geometry SANS instrument SANS-J-II of JRR-3. The instrument performance was enhanced by about 10 times compared with the case with the magnetic supermirror as the neutron polarizing device. The details are shown and discussed. (author)

Exploring Biomolecular Interactions Through Single-Molecule Force Spectroscopy and Computational Simulation

OpenAIRE

Yang, Darren

2016-01-01

Molecular interactions between cellular components such as proteins and nucleic acids govern the fundamental processes of living systems. Technological advancements in the past decade have allowed the characterization of these molecular interactions at the single-molecule level with high temporal and spatial resolution. Simultaneously, progress in computer simulation has enabled theoretical research at the atomistic level, assisting in the interpretation of experimental results. This thesi...

Strongly interacting light dark matter

International Nuclear Information System (INIS)

Bruggisser, Sebastian; Riva, Francesco; Urbano, Alfredo

2016-07-01

In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM) can appear weakly coupled at small-energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo-Nambu-Goldstone Bosons and Goldstini) are interesting targets for LHC missing-energy searches.

Phase-alternated composite π/2 pulses for solid state quadrupole echo NMR spectroscopy

International Nuclear Information System (INIS)

Ramamoorthy, A.; Narasimhan, P.T.

1991-01-01

Phase-alternated composite π/2 pulses have been constructed for spin I=1 to overcome quadrupole interaction effects in solid state nuclear magnetic resonance(NMR) spectroscopy. Magnus expansion approach is used to design these sequences in a manner similar to the NMR coherent averaging theory. It is inferred that the symmetric phase-alternated composite π/2 pulses reported here are quite successful in producing quadrupole echo free phase distortions. This effectiveness of the present composite pulses is due to the fact that most of them are of shorter durations as compared to the ones reported in literature. In this theoretical procedure, irreducible spherical tensor operator formalism is employed to simplify the complexity involved in the evaluation of Magnus expansion terms. It has been argued in this paper that composite π/2 pulse sequences for this purpose can also be derived from the broadband inversion π pulses which are designed to compensate electric field gradient(efg) inhomogeniety in spin I=1 nuclear quadrupole resonance(NQR) spectroscopy. (author). 28 refs

Fluxonium-Based Artificial Molecule with a Tunable Magnetic Moment

Science.gov (United States)

Kou, A.; Smith, W. C.; Vool, U.; Brierley, R. T.; Meier, H.; Frunzio, L.; Girvin, S. M.; Glazman, L. I.; Devoret, M. H.

2017-07-01

Engineered quantum systems allow us to observe phenomena that are not easily accessible naturally. The LEGO®-like nature of superconducting circuits makes them particularly suited for building and coupling artificial atoms. Here, we introduce an artificial molecule, composed of two strongly coupled fluxonium atoms, which possesses a tunable magnetic moment. Using an applied external flux, one can tune the molecule between two regimes: one in which the ground-excited state manifold has a magnetic dipole moment and one in which the ground-excited state manifold has only a magnetic quadrupole moment. By varying the applied external flux, we find the coherence of the molecule to be limited by local flux noise. The ability to engineer and control artificial molecules paves the way for building more complex circuits for quantum simulation and protected qubits.

AA, wide quadrupole on measurement stand

CERN Multimedia

CERN PhotoLab

1981-01-01

Please look up 8101024 first. Shims and washers on the wide quadrupoles (QFW, QDW; located in the lattice where dispersion was large) served mostly for corrections of those lattice parameters which were a function of momentum. After mounting shims and washers, the quadrupoles were measured to determine their magnetic centre and to catalogue the effect of washer constellations. Raymond Brown is busy measuring a wide quad.

The g-factor and the electric quadrupole moment of the 7/2+ isomer in 125Xe

International Nuclear Information System (INIS)

Alber, D.; Bertschat, H.H.; Grawe, H.; Haas, H.; Mahnke, H.E.; Menningen, M.; Semmler, W.; Sielemann, R.; Zeitz, W.D.; Freie Univ. Berlin

1983-01-01

The time differential perturbed angular distribution method (PAD) was used to measure the g-factor and the electric quadrupole interaction in a Cd single crystal for the tsub(1/2)=140 ns, Isup(π)=7/2 + isomer in 125 Xe. The g-factor is g=+0.264(10) and the quadrupole coupling constant e 2 Qq/h=122.1(6) MHz at 552 K. The lifetime of the Isup(π)=11/2 + state was measured to be tau=11.3(1.1) ps by the recoil distance method (RDM). From an analysis of the spectroscopic data using the triaxial-rotor-pulse-particle (TRPP) model the quadrupole moment of the 7/2 + isomer is deduced to be Q=1.40(15) b yielding an electric field gradient (efg) eq=3.6(4)x10 17 V/cm 2 for Xe Cd. (orig.)

The g-factor and the electric quadrupole moment of the 7/2+ isomer in 125Xe

International Nuclear Information System (INIS)

Alber, D.; Bertschat, H.H.; Grawe, H.; Haas, H.; Mahnke, H.E.; Menningen, M.; Semmler, W.; Sielemann, R.; Zeitz, W.D.

1983-01-01

The time differential perturbed angular distribution method (PAD) was used to measure the g-factor and the electric quadrupole interaction in a Cd single crystal for the tsub(1/2) = 140 ns, Isup(π) = 7/2 + isomer in 125 Xe. The g-factor is g = +0.264(10) and the quadrupole coupling constant e 2 Qq/h = 122.1(6) MHz at 552 K. The lifetime of the Isup(π) = 11/2 + state was measured to be tau = 11.3(1.1) ps by the recoil distance method (RDM). From an analysis of the spectroscopic data using the triaxial-rotor-plus-particle (TRPP) model the quadrupole moment of the 7/2 + isomer is deduced to be Q = 1.40(15) b yielding an electric field gradient (efg) eq = 3.6(4)x10 17 V/cm 2 for Xe Cd. (orig.)

Structuring Light to Manipulate Multipolar Resonances for Metamaterial Applications

Science.gov (United States)

Das, Tanya

Multipolar electromagnetic phenomena in sub-wavelength resonators are at the heart of metamaterial science and technology. Typically, researchers engineer multipolar light-matter interactions by modifying the size, shape, and composition of the resonators. Here, we instead engineer multipolar interactions by modifying properties of the incident radiation. In this dissertation, we propose a new framework for determining the scattering response of resonators based on properties of the local excitation field. First, we derive an analytical theory to determine the scattering response of spherical nanoparticles under any type of illumination. Using this theory, we demonstrate the ability to drastically manipulate the scattering properties of a spherical nanoparticle by varying the illumination and demonstrate excitation of a longitudinal quadrupole mode that cannot be accessed with conventional illumination. Next, we investigate the response of dielectric dimer structures illuminated by cylindrical vector beams. Using finite-difference time-domain simulations, we demonstrate significant modification of the scattering spectra of dimer antennas and reveal how the illumination condition gives rise to these spectra through manipulation of electric and magnetic mode hybridization. Finally, we present a simple and efficient numerical simulation based on local field principles for extracting the multipolar response of any resonator under illumination by structured light. This dissertation enhances the understanding of fundamental light-matter interactions in metamaterials and lays the foundation for researchers to identify, quantify, and manipulate multipolar light-matter interactions through optical beam engineering.

Measurements of electric quadrupole moments of neutron-deficient Au, Pt, and Ir nuclei with NMR-ON in hcp-Co

CERN Multimedia

Smolic, E; Hagn, E; Zech, E; Seewald, G

2002-01-01

The aim of the experiments is the measurement of $\\,$i) nuclear magnetic moments and electric quadrupole moments of neutron-deficient isotopes in the region Os-Ir-Pt-Au with the methods of quadrupole-interaction-resolved NMR on oriented nuclei " QI-NMR-ON " and modulated adiabatic passage on oriented nuclei " MAPON " and $\\,$ii) the magnetic hyperfine field, electric field gradient (EFG), and spin-lattice relaxation of 5d elements in ferromagnetic Fe, Ni, fcc-Co and hcp-Co.\\\\ The measurements on Au isotopes have been finished successfully. The quadrupole moments of $^{186}$Au, $^{193m}$Au, $^{195}$Au, $^{195m}$Au, $^{197m}$Au, $^{198}$Au and $^{199}$Au were determined with high precision.\\\\ For neutron-deficient Ir isotopes QI-NMR-ON measurements were performed after implantation of Hg precursors. The EFG of Ir in hcp-Co has been calibrated. Thus precise values for the spectroscopic quadrupole mo...

Quadrupole collectivity beyond N = 50 in neutron- rich Se and Kr isotopes

Science.gov (United States)

Elman, Brandon; Gade, A.; Barofsky, D.; Bender, P. C.; Bowry, M.; Hjorth-Jensen, M.; Kemper, K. W.; Lipschutz, S.; Lunderberg, E.; Sachmpazidi, N.; Terpstra, N.; Walters, W. B.; Weisshaar, D.; Westerberg, A.; Williams, S. J.; Wimmer, K.

2017-09-01

We will present results on measuring the B (E 2 ;01+ ->2n+) strength for the neutron-rich 88,90Kr and 86Se isotopes from intermediate-energy Coulomb excitation. The electric quadrupole transition strengths to the first 2+ state complete, with considerably improved uncertainties, the evolution of quadrupole collectivity in the Kr and Se isotopes approaching N = 60 , for which 90Kr and 86Se had previously been the most uncertain. We also report significant excitation strength to several higher lying 2+ states in the krypton isotopes. The results confirm shell model calculations in the π (fpg) - ν (sdg) shell with only a minimally tuned shell model setup that is based on a nucleon-nucleon interaction derived from effective field theory with effective charges adjusted to 86Kr.

Quadrupole oscillations as paradigm of the chaotic motion in nuclei

International Nuclear Information System (INIS)

Berezovoj, V.P.; Bolotin, Yu.L.; Gonchar, V.Yu.; Granovsky, M.Ya.

2003-01-01

A complete description of classical dynamics, generated by the Hamiltonian of quadrupole nuclear oscillations, is presented. Those peculiarities of quantum dynamics, which can be interpreted as quantum manifestations of classical stochasticity are identified. Semiclassical approximation to an energy spectrum is developed through quantization of the Birkhoff-Gustavson normal form. We show that the type of classical motion is correlated with the structure of the stationary wave functions. Correlations were found both in the coordinate space (the lattice of nodal curves and the distribution of the probability density) and in the Hilbert space associated with the integrable part of the Hamiltonian. Quadrupole oscillations of nuclei were used to investigate the shell structure destruction induced by the increase of nonintegrable perturbation, which models residual nucleon-nucleon interaction. The process of wave packet tunneling through potential barrier is considered for the case of finite motion. We demonstrate that the stringent correlation between the level quasi-crossing and the wave function delocalization, which leads to the resonant tunneling, takes place [ru

Synthetic models related to DNA-intercalating molecules. Interactions between 8-alkoxypsoralen and adenine

International Nuclear Information System (INIS)

Decout, J.L.; Lhomme, J.

1983-01-01

To investigate the interactions and the photoreactions between furocoumarins and adenine, compounds in which a psoralen molecule is linked by different polymethylene bridges have been synthesised. Ring-ring intramolecular interactions are observed by UV spectroscopy. Thermodynamic parameters of these hydrophobic interactions are determined by the study of the variation of the hypochromic effect with temperature. (author)

Single-molecule magnets ``without'' intermolecular interactions

Science.gov (United States)

Wernsdorfer, W.; Vergnani, L.; Rodriguez-Douton, M. J.; Cornia, A.; Neugebauer, P.; Barra, A. L.; Sorace, L.; Sessoli, R.

2012-02-01

Intermolecular magnetic interactions (dipole-dipole and exchange) affect strongly the magnetic relaxation of crystals of single-molecule magnets (SMMs), especially at low temperature, where quantum tunneling of the magnetization (QTM) dominates. This leads to complex many-body problems [l]. Measurements on magnetically diluted samples are desirable to clearly sort out the behaviour of magnetically-isolated SMMs and to reveal, by comparison, the effect of intermolecular interactions. Here, we diluted a Fe4 SMM into a diamagnetic crystal lattice, affording arrays of independent and iso-oriented magnetic units. We found that the resonant tunnel transitions are much sharper, the tunneling efficiency changes significantly, and two-body QTM transitions disappear. These changes have been rationalized on the basis of a dipolar shuffling mechanism and of transverse dipolar fields, whose effect has been analyzed using a multispin model. Our findings directly prove the impact of intermolecular magnetic couplings on the SMM behaviour and disclose the magnetic response of truly-isolated giant spins in a diamagnetic crystalline environment.[4pt] [1] W. Wernsdorfer, at al, PRL 82, 3903 (1999); PRL 89, 197201 (2002); Nature 416, 406 (2002); IS Tupitsyn, PCE Stamp, NV Prokof'ev, PRB 69, 132406 (2004).

Quantized TDHF for isoscalar giant quadrupole resonances in spherical nuclei

International Nuclear Information System (INIS)

Drozdz, S.; Okolowicz, J.; Ploszajczak, M.; Caurier, E.

1988-01-01

The time-dependent Hartree-Fock theory supplemented with the regularity and single-valuedness quantization condition for the gauge invariant component of the wavefunction is applied to the description of the centroid energy and escape width of isoscalar giant quadrupole resonances in 16 O, 40 Ca and 110 Zr. Calculations are performed using the Skyrme SIII effective interaction. An important role of the finite oscillation amplitude in the mean-field dynamics is emphasized. (orig.)

Interaction of slow electrons with high-pressure gases ('Quasi-liquids'): synthesis of our knowledge on slow electron-molecule interactions. Progress report

International Nuclear Information System (INIS)

McCorkle, D.L.; Christophorou, L.G.

1985-01-01

A crucial step in our efforts to develop not only a coherent picture of radiation interaction with matter, but also to understand radiation effects and mechanisms, as well as the effects of chemical pollutants and toxic compounds, is to relate the often abundant knowledge on isolated molecules (low pressure gases) to that on liquids or solids. To understand the roles of the physical and chemical properties of molecules in biological reactions, we must know how these isolated-molecule properties change as molecules are embedded in gradually thicker and thicker (denser and denser) gaseous and, finally, liquid environments. The work initiated by us both at the Physics Department of The University of Tennessee and at the Oak Ridge National Laboratory addresses itself to this question. At both places, high pressure (40 to approx.8000 kPa) electron swarm experiments are currently in operation yielding information as to the effects of the density and nature of the environment on fundamental electron-molecule interaction processes at densities intermediate to those corresponding to low pressure gases and liquids, and the gradual transition from isolated molecule to condensed phase behavior

Local and dynamic properties of light interacting with subwavelength holes

NARCIS (Netherlands)

Prangsma, Jord

2009-01-01

The discovery of the extraordinary transmission phenomena has initiated an intense study of the interaction of light with subwavelength holes. In this thesis the dynamic and local properties of light interacting with subwavelength holes are investigated. First of all the role of hole shape on the

Compact quadrupole triplet for the S-DALINAC polarized electron injector SPIN

Energy Technology Data Exchange (ETDEWEB)

Eckardt, C.; Eichhorn, R.; Enders, J.; Hessler, C.; Poltoratska, Y. [Inst. fuer Kernphysik, Technische Univ. Darmstadt (Germany); Ackermann, W.; Mueller, W.F.O.; Steiner, B.; Weiland, T. [Inst. fuer Theorie Elektromagnetischer Felder, Technische Univ. Darmstadt (Germany)

2007-07-01

An ultra compact quadrupole triplet for the S-DALINAC Polarized Electron Injector SPIN has been developed. This development is due to limiting spatial restrictions. Each individual quadrupole has a length of 8 mm, affixed by two 2 mm aluminum plates, resulting in a length of only 12 mm per quadrupole. The gaps between each quadrupole are set to 18 mm, therefore the complete triplet has a total length of only 72 mm. The quadrupole design includes a large aperture, suitable for CF 35 beam pipes. As fringe fields reach far info neighboring yokes, the assembly requires simulation by a beam dynamics tool for optimal weighting of the current excitation. Measurement of the magnetic field distribution is compared to numerical values and the quadrupole strength is calculated. (orig.)

Hadronic physics of q anti q light quark mesons, quark molecules and glueballs

International Nuclear Information System (INIS)

Lindenbaum, S.J.

1980-10-01

A brief introduction reviews the development of QCD and defines quark molecules and glueballs. This review is concerned primarily with u, d, and s quarks, which provide practically all of the cross section connected with hadronic interactions. The following topics form the bulk of the paper: status of quark model classification for conventional u, d, s quark meson states; status of multiquark or quark molecule state predictions and experiments; glueballs and how to find them; and the OZI rule in decay and production and how glueballs might affect it. 17 figures, 1 table

Multipole moments of water molecules in clusters and ice Ih from first principles calculations

International Nuclear Information System (INIS)

Batista, E.R.; Xantheas, S.S.; Jonsson, H.

1999-01-01

We have calculated molecular multipole moments for water molecules in clusters and in ice Ih by partitioning the charge density obtained from first principles calculations. Various schemes for dividing the electronic charge density among the water molecules were used. They include Bader close-quote s zero flux surfaces and Voronoi partitioning schemes. A comparison was also made with an induction model including dipole, dipole-quadrupole, quadrupole-quadrupole polarizability and first hyperpolarizability as well as fixed octopole and hexadecapole moments. We have found that the different density partitioning schemes lead to widely different values for the molecular multipoles, illustrating how poorly defined molecular multipoles are in clusters and condensed environments. For instance, the magnitude of the molecular dipole moment in ice Ih ranges between 2.3 D and 3.1 D depending on the partitioning scheme used. Within each scheme, though, the value for the molecular dipole moment in ice is larger than in the hexamer. The magnitude of the molecular dipole moment in the clusters shows a monotonic increase from the gas phase value to the one in ice Ih, with the molecular dipole moment in the water ring hexamer being smaller than the one in ice Ih for all the partitioning schemes used. copyright 1999 American Institute of Physics

Hyperfine structure in the Gd II spectrum and the nuclear electric quadrupole moment of 157Gd

International Nuclear Information System (INIS)

Clieves, H.P.; Steudel, A.

1979-01-01

The hyperfine structure of 157 Gd was investigated in 20 Gd II lines by means of a photoelectric recording Fabry-Perot interferometer with digital data processing. The hyperfine splitting factors, A and B, were obtained by computer fits to the observed line structures. Using a multiconfigurational set of wave functions in intermediate coupling derived by Wyart, mono-electronic parameters were deduced by a parametric treatment. The nuclear electric quadrupole moment of 157 Gd was evaluated from the quadrupole interaction of the 5d electron in 4f 7 5d6s, the 5d electron in 4f 7 5d6p, and the 6p electron in 4f 7 5d6p. The three values obtained for the quadrupole moment agree very well. The final result, corrected for Sternheimer shielding, is Q( 157 Gd) = 1.34(7) x 10 -24 cm 2 . (orig.) [de

Variable Permanent Magnet Quadrupole

International Nuclear Information System (INIS)

Mihara, T.; Iwashita, Y.; Kyoto U.; Kumada, M.; NIRS, Chiba; Spencer, C.M.; SLAC

2007-01-01

A permanent magnet quadrupole (PMQ) is one of the candidates for the final focus lens in a linear collider. An over 120 T/m strong variable permanent magnet quadrupole is achieved by the introduction of saturated iron and a 'double ring structure'. A fabricated PMQ achieved 24 T integrated gradient with 20 mm bore diameter, 100 mm magnet diameter and 20 cm pole length. The strength of the PMQ is adjustable in 1.4 T steps, due to its 'double ring structure': the PMQ is split into two nested rings; the outer ring is sliced along the beam line into four parts and is rotated to change the strength. This paper describes the variable PMQ from fabrication to recent adjustments

Control of systematic uncertainties in the storage ring search for an electric dipole moment by measuring the electric quadrupole moment

Directory of Open Access Journals (Sweden)

Andrzej Magiera

2017-09-01

Full Text Available Measurements of electric dipole moment (EDM for light hadrons with use of a storage ring have been proposed. The expected effect is very small, therefore various subtle effects need to be considered. In particular, interaction of particle’s magnetic dipole moment and electric quadrupole moment with electromagnetic field gradients can produce an effect of a similar order of magnitude as that expected for EDM. This paper describes a very promising method employing an rf Wien filter, allowing to disentangle that contribution from the genuine EDM effect. It is shown that both these effects could be separated by the proper setting of the rf Wien filter frequency and phase. In the EDM measurement the magnitude of systematic uncertainties plays a key role and they should be under strict control. It is shown that particles’ interaction with field gradients offers also the possibility to estimate global systematic uncertainties with the precision necessary for an EDM measurement with the planned accuracy.

Control of systematic uncertainties in the storage ring search for an electric dipole moment by measuring the electric quadrupole moment

Science.gov (United States)

Magiera, Andrzej

2017-09-01

Measurements of electric dipole moment (EDM) for light hadrons with use of a storage ring have been proposed. The expected effect is very small, therefore various subtle effects need to be considered. In particular, interaction of particle's magnetic dipole moment and electric quadrupole moment with electromagnetic field gradients can produce an effect of a similar order of magnitude as that expected for EDM. This paper describes a very promising method employing an rf Wien filter, allowing to disentangle that contribution from the genuine EDM effect. It is shown that both these effects could be separated by the proper setting of the rf Wien filter frequency and phase. In the EDM measurement the magnitude of systematic uncertainties plays a key role and they should be under strict control. It is shown that particles' interaction with field gradients offers also the possibility to estimate global systematic uncertainties with the precision necessary for an EDM measurement with the planned accuracy.

Single molecules and single nanoparticles as windows to the nanoscale

Science.gov (United States)

Caldarola, Martín; Orrit, Michel

2018-05-01

Since the first optical detection of single molecules, they have been used as nanometersized optical sensors to explore the physical properties of materials and light-matter interaction at the nanoscale. Understanding nanoscale properties of materials is fundamental for the development of new technology that requires precise control of atoms and molecules when the quantum nature of matter cannot be ignored. In the following lines, we illustrate this journey into nanoscience with some experiments from our group.

Analysis of DNA interactions using single-molecule force spectroscopy.

Science.gov (United States)

Ritzefeld, Markus; Walhorn, Volker; Anselmetti, Dario; Sewald, Norbert

2013-06-01

Protein-DNA interactions are involved in many biochemical pathways and determine the fate of the corresponding cell. Qualitative and quantitative investigations on these recognition and binding processes are of key importance for an improved understanding of biochemical processes and also for systems biology. This review article focusses on atomic force microscopy (AFM)-based single-molecule force spectroscopy and its application to the quantification of forces and binding mechanisms that lead to the formation of protein-DNA complexes. AFM and dynamic force spectroscopy are exciting tools that allow for quantitative analysis of biomolecular interactions. Besides an overview on the method and the most important immobilization approaches, the physical basics of the data evaluation is described. Recent applications of AFM-based force spectroscopy to investigate DNA intercalation, complexes involving DNA aptamers and peptide- and protein-DNA interactions are given.

Desorption of large molecules with light-element clusters: Effects of cluster size and substrate nature

Energy Technology Data Exchange (ETDEWEB)

Delcorte, Arnaud, E-mail: arnaud.delcorte@uclouvain.be [Institute of Condensed Matter and Nanosciences - Bio and Soft Matter, Universite catholique de Louvain, Croix du Sud, 1 bte 3, B-1348 Louvain-la-Neuve (Belgium); Garrison, Barbara J. [Department of Chemistry, Penn State University, University Park, PA 16802 (United States)

2011-07-15

This contribution focuses on the conditions required to desorb a large hydrocarbon molecule using light-element clusters. The test molecule is a 7.5 kDa coil of polystyrene (PS61). Several projectiles are compared, from C{sub 60} to 110 kDa organic droplets and two substrates are used, amorphous polyethylene and mono-crystalline gold. Different aiming points and incidence angles are examined. Under specific conditions, 10 keV nanodrops can desorb PS61 intact from a gold substrate and from a soft polyethylene substrate. The prevalent mechanism for the desorption of intact and 'cold' molecules is one in which the molecules are washed away by the projectile constituents and entrained in their flux, with an emission angle close to {approx}70 deg. The effects of the different parameters on the dynamics and the underlying physics are discussed in detail and the predictions of the model are compared with other published studies.

Desorption of large molecules with light-element clusters: Effects of cluster size and substrate nature

International Nuclear Information System (INIS)

Delcorte, Arnaud; Garrison, Barbara J.

2011-01-01

This contribution focuses on the conditions required to desorb a large hydrocarbon molecule using light-element clusters. The test molecule is a 7.5 kDa coil of polystyrene (PS61). Several projectiles are compared, from C 60 to 110 kDa organic droplets and two substrates are used, amorphous polyethylene and mono-crystalline gold. Different aiming points and incidence angles are examined. Under specific conditions, 10 keV nanodrops can desorb PS61 intact from a gold substrate and from a soft polyethylene substrate. The prevalent mechanism for the desorption of intact and 'cold' molecules is one in which the molecules are washed away by the projectile constituents and entrained in their flux, with an emission angle close to ∼70 deg. The effects of the different parameters on the dynamics and the underlying physics are discussed in detail and the predictions of the model are compared with other published studies.

Low-temperature FTIR spectroscopy provides evidence for protein-bound water molecules in eubacterial light-driven ion pumps.

Science.gov (United States)

Nomura, Yurika; Ito, Shota; Teranishi, Miwako; Ono, Hikaru; Inoue, Keiichi; Kandori, Hideki

2018-01-31

Light-driven H + , Na + and Cl - pumps have been found in eubacteria, which convert light energy into a transmembrane electrochemical potential. A recent mutation study revealed asymmetric functional conversion between the two pumps, where successful functional conversions are achieved exclusively when mutagenesis reverses the evolutionary amino acid sequence changes. Although this fact suggests that the essential structural mechanism of an ancestral function is retained even after gaining a new function, questions regarding the essential structural mechanism remain unanswered. Light-induced difference FTIR spectroscopy was used to monitor the presence of strongly hydrogen-bonded water molecules for all eubacterial H + , Na + and Cl - pumps, including a functionally converted mutant. This fact suggests that the strongly hydrogen-bonded water molecules are maintained for these new functions during evolution, which could be the reason for successful functional conversion from Na + to H + , and from Cl - to H + pumps. This also explains the successful conversion of the Cl - to the H + pump only for eubacteria, but not for archaea. It is concluded that water-containing hydrogen-bonding networks constitute one of the essential structural mechanisms in eubacterial light-driven ion pumps.

The giant quadrupole resonance in highly excited rotating nuclei

International Nuclear Information System (INIS)

Civitarese, O.; Furui, S.; Ploszajczak, M.; Faessler, A.

1983-01-01

The giant quadrupole resonance in highly excited, fast rotating nuclei is studied as a function of both the nuclear temperature and the nuclear angular momentum. The photo-absorption cross sections for quadrupole radiation in 156 Dy, 160 Er and 164 Er are evaluated within the linear response theory. The strength functions of the γ-ray spectrum obtained from the decay of highly excited nuclear states by deexcitation of the isoscalar quadrupole mode show a fine structure, which depends on the temperature T, the angular momentum I and the deformation of the nucleus β. The splitting of the modes associated with the signature-conserving and signature-changing components of the quadrupole field is discussed. (orig.)

Electromagnetic design of superconducting quadrupoles

Directory of Open Access Journals (Sweden)

L. Rossi

2006-10-01

Full Text Available We study how the critical gradient depends on the coil layout in a superconducting quadrupole for particle accelerators. We show that the results relative to a simple sector coil are well representative of the coil layouts that have been used to build several quadrupoles in the past 30 years. Using a semianalytical approach, we derive a formula that gives the critical gradient as a function of the coil cross-sectional area, of the magnet aperture, and of the superconducting cable parameters. This formula is used to evaluate the efficiency of several types of coil layouts (shell, racetrack, block, open midplane.

Performance of the first short model 150 mm aperture Nb$_3$Sn Quadrupole MQXFS for the High-Luminosity LHC upgrade

CERN Document Server

Chlachidze, G; Anerella, M; Bossert, R; Cavanna, E; Cheng, D; Dietderich, D; DiMarco, J; Felice, H; Ferracin, P; Ghosh, A; Grosclaude, P; Guinchard, M; Hafalia, A R; Holik, E; Izquierdo Bermudez, S; Krave, S; Marchevsky, M; Nobrega, F; Orris, D; Pan, H; Perez, J C; Prestemon, S; Ravaioli, E; Sabbi, G L; Salmi, T; Schmalzle, J; Stoynev, S; Strauss, T; Sylvester, C; Tartaglia, M; Todesco, E; Vallone, G; Velev, G; Wanderer, P; Wang, X; Yu, M

2017-01-01

The US LHC Accelerator Research Program (LARP) and CERN combined their efforts in developing Nb$_{3}$Sn magnets for the High-Luminosity LHC upgrade. The ultimate goal of this collaboration is to fabricate large aperture Nb$_{3}$Sn quadrupoles for the LHC interaction regions (IR). These magnets will replace the present 70 mm aperture NbTi quadrupole triplets for expected increase of the LHC peak luminosity by a factor of 5. Over the past decade LARP successfully fabricated and tested short and long models of 90 mm and 120 mm aperture Nb$_{3}$Sn quadrupoles. Recently the first short model of 150 mm diameter quadrupole MQXFS was built with coils fabricated both by the LARP and CERN. The magnet performance was tested at Fermilab’s vertical magnet test facility. This paper reports the test results, including the quench training at 1.9 K, ramp rate and temperature dependence studies.

Performance of the first short model 150 mm aperture Nb$_3$Sn Quadrupole MQXFS for the High- Luminosity LHC upgrade

Energy Technology Data Exchange (ETDEWEB)

Chlachidze, G.; et al.

2016-08-30

The US LHC Accelerator Research Program (LARP) and CERN combined their efforts in developing Nb3Sn magnets for the High-Luminosity LHC upgrade. The ultimate goal of this collaboration is to fabricate large aperture Nb3Sn quadrupoles for the LHC interaction regions (IR). These magnets will replace the present 70 mm aperture NbTi quadrupole triplets for expected increase of the LHC peak luminosity by a factor of 5. Over the past decade LARP successfully fabricated and tested short and long models of 90 mm and 120 mm aperture Nb3Sn quadrupoles. Recently the first short model of 150 mm diameter quadrupole MQXFS was built with coils fabricated both by the LARP and CERN. The magnet performance was tested at Fermilab’s vertical magnet test facility. This paper reports the test results, including the quench training at 1.9 K, ramp rate and temperature dependence studies.

Photodissociation and excitation of interstellar molecules

International Nuclear Information System (INIS)

Dishoeck, E.F. van.

1984-01-01

Apart from a rather long introduction containing some elementary astrophysics, quantum chemistry and spectroscopy and an incomplete, historical review of molecular observations, this thesis is divided into three sections. In part A, a rigorous quantum chemical and dynamical study is made of the photodissociation processes in the OH and HCl molecules. In part B, the cross sections obtained in part A are used in various astrophysical problems such as the study of the abundances of the OH and HCl molecules in interstellar clouds, the use of the OH abundance as a measure of the cosmic ray ionization rate, the lifetime of the OH radical in comets and the abundance of OH in the solar photosphere. Part C discusses the excitation of the C 2 molecule under interstellar conditions, its use as a diagnostic probe of the temperature, density and strength of the radiation field in interstellar clouds. Quadrupole moments and oscillator strengths are analyzed. (Auth.)

Confined Catalysis in the g-C3N4/Pt(111) Interface: Feasible Molecule Intercalation, Tunable Molecule-Metal Interaction, and Enhanced Reaction Activity of CO Oxidation.

Science.gov (United States)

Wang, Shujiao; Feng, Yingxin; Yu, Ming'an; Wan, Qiang; Lin, Sen

2017-09-27

The deposition of a two-dimensional (2D) atomic nanosheet on a metal surface has been considered as a new route for tuning the molecule-metal interaction and surface reactivity in terms of the confinement effect. In this work, we use first-principles calculations to systematically explore a novel nanospace constructed by placing a 2D graphitic carbon nitride (g-C 3 N 4 ) nanosheet over a Pt(111) surface. The confined catalytic activity in this nanospace is investigated using CO oxidation as a model reaction. With the inherent triangular pores in the g-C 3 N 4 overlayer being taken advantage of, molecules such as CO and O 2 can diffuse to adsorb on the Pt(111) surface underneath the g-C 3 N 4 overlayer. Moreover, the mechanism of intercalation is also elucidated, and the results reveal that the energy barrier depends mainly on the properties of the molecule and the channel. Importantly, the molecule-catalyst interaction can be tuned by the g-C 3 N 4 overlayer, considerably reducing the adsorption energy of CO on Pt(111) and leading to enhanced reactivity in CO oxidation. This work will provide important insight for constructing a promising nanoreactor in which the following is observed: The molecule intercalation is facile; the molecule-metal interaction is efficiently tuned; the metal-catalyzed reaction is promoted.

Boson models of quadrupole collective motion

International Nuclear Information System (INIS)

Zelevinskij, V.G.

1985-01-01

The subject of the lecture is the low-lying excitations of even-even (e-e) spherical nuclei. The predominant role of the quadrupole mode, which determines the structure of spectra and transitions, is obvious on the background of shell periodicity and pair correlations. Typical E2-transitions are strengthened Ω ∼ A 2/3 times in comparison with single particle evaluations. Together with the regularity of the whole picture it gives evidence about collectivization of quadrupole motion. The collective states are combined in bands, where the transition probability are especially great; frequencies ω of the strengthened transitions are small in comparison with pair separation energies of 2 E-bar ∼ 2 MeV. Thus, the description of low-lying excitations of spherical nuclei has to be based on three principles: collectivity (Ω >> 1), adiabaticity (τ ≡ ω/2E-bar << 1) and quadrupole symmetry

Tools for controlling protein interactions with light

Science.gov (United States)

Tucker, Chandra L.; Vrana, Justin D.; Kennedy, Matthew J.

2014-01-01

Genetically-encoded actuators that allow control of protein-protein interactions with light, termed ‘optical dimerizers’, are emerging as new tools for experimental biology. In recent years, numerous new and versatile dimerizer systems have been developed. Here we discuss the design of optical dimerizer experiments, including choice of a dimerizer system, photoexcitation sources, and coordinate use of imaging reporters. We provide detailed protocols for experiments using two dimerization systems we previously developed, CRY2/CIB and UVR8/UVR8, for use controlling transcription, protein localization, and protein secretion with light. Additionally, we provide instructions and software for constructing a pulse-controlled LED light device for use in experiments requiring extended light treatments. PMID:25181301

Single-Molecule Sensing with Nanopore Confinement: from Chemical Reactions to Biological Interactions.

Science.gov (United States)

Lin, Yao; Ying, Yi-Lun; Gao, Rui; Long, Yi-Tao

2018-03-25

The nanopore can generate an electrochemical confinement for single-molecule sensing which help understand the fundamental chemical principle in nanoscale dimensions. By observing the generated ionic current, individual bond-making and bond-breaking steps, single biomolecule dynamic conformational changes and electron transfer processes that occur within pore can be monitored with high temporal and current resolution. These single-molecule studies in nanopore confinement are revealing information about the fundamental chemical and biological processes that cannot be extracted from ensemble measurements. In this concept, we introduce and discuss the electrochemical confinement effects on single-molecule covalent reactions, conformational dynamics of individual molecules and host-guest interactions in protein nanopores. Then, we extend the concept of nanopore confinement effects to confine electrochemical redox reactions in solid-state nanopores for developing new sensing mechanisms. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electric quadrupole moments of the 2$_{1}^{+}$ states in $^{100,102,104}$Cd

CERN Document Server

Ekström, A; DiJulio, D D; Fahlander, C; Hjorth-Jensen, M; Blazhev, A; Bruyneel, B; Butler, P A; Davinson, T; Eberth, J; Fransen, C; Geibel, K; Hess, H; Ivanov, O; Iwanicki, J; Kester, O; Kownacki, J; Köster, U; Marsh, B A; Reiter, P; Scheck, M; Siebeck, B; Siem, S; Stefanescu, I; Toft, H K; Tveten, G M; van de Walle, J; Voulot, D; Warr, N; Weisshaar, D; Wenander, F; Wrzosek, K; Zielińska, M

2009-01-01

Using the REX-ISOLDE facility at CERN the Coulomb excitation cross sections for the 0gs+→21+ transition in the β-unstable isotopes 100,102,104Cd have been measured for the first time. Two different targets were used, which allows for the first extraction of the static electric quadrupole moments Q(21+) in 102,104Cd. In addition to the B(E2) values in 102,104Cd, a first experimental limit for the B(E2) value in 100Cd is presented. The data was analyzed using the maximum likelihood method. The provided probability distributions impose a test for theoretical predictions of the static and dynamic moments. The data are interpreted within the shell-model using realistic matrix elements obtained from a G-matrix renormalized CD-Bonn interaction. In view of recent results for the light Sn isotopes the data are discussed in the context of a renormalization of the neutron effective charge. This study is the first to use the reorientation effect for post-accelerated short-lived radioactive isotopes to simultaneously d...

Simulations of light antinucleus-nucleus interactions

Energy Technology Data Exchange (ETDEWEB)

Galoyan, A., E-mail: galoyan@lxmx00.jinr.ru [JINR, LHEP (Russian Federation); Uzhinsky, V. [JINR, LIT (Russian Federation)

2013-03-15

Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-{sup 3}He and anti-{sup 4}He) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

Simulation of Light Antinucleus-Nucleus Interactions

CERN Document Server

Galoyan, A.

2013-01-01

Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-He3 and anti-He4) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of the anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

Density functional study the interaction of oxygen molecule with defect sites of graphene

Energy Technology Data Exchange (ETDEWEB)

Qi Xuejun [State Key Laboratory of Coal Combustion, Wuhan 430074 (China); Guo Xin, E-mail: guoxin@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Wuhan 430074 (China); Zheng Chuguang [State Key Laboratory of Coal Combustion, Wuhan 430074 (China)

2012-10-15

Highlights: Black-Right-Pointing-Pointer The defect sites existed on the graphite surface create active sites and enhance the reactivity of carbonaceous material. Black-Right-Pointing-Pointer Oxygen molecule more favor chemisorbed on the graphene surface contains defect sites than the perfect surface. Black-Right-Pointing-Pointer The single active oxygen atom adsorbed on the defect surfaces, it completely insert into the surface. - Abstract: The present article reports a theoretical study of oxygen interacted with graphene surface containing defect sites on the atomic level by employing the density functional theory combined with the graphene cluster model. It was founded that oxygen molecule prefers to be chemisorbed on the graphene surface containing defect sites compared to the perfect surface. The adsorption energy of O{sub 2} on the double defect site is about 2.5 times as large as that on the perfect graphene surface. Moreover, the oxygen molecule interacts with S-W defect site gives rise to stable epoxy structure, which pulling the carbon atom outward from the original site in the direction perpendicular to the surface. If the oxygen molecule is adsorbed on the single vacancy site, two C-O bonds are formed on the graphene surface. However, when the oxygen molecule is chemisorbed on the double vacancy site, the oxygen atoms substitute the missing carbon atom's position in the carbon plane and form a hexagonal structure on the graphene network. The results indicate that single active oxygen atom approaches the defect site, it's completely adsorbed in the plane and high energy is released. In all cases, the interaction of an oxygen atom with defect surface involves an exothermic process. The defect site creates active sites on the surface of graphene and produces catalytic effects during the process of oxidation of carbonaceous materials.

Efficient Isothermal Titration Calorimetry Technique Identifies Direct Interaction of Small Molecule Inhibitors with the Target Protein.

Science.gov (United States)

Gal, Maayan; Bloch, Itai; Shechter, Nelia; Romanenko, Olga; Shir, Ofer M

2016-01-01

Protein-protein interactions (PPI) play a critical role in regulating many cellular processes. Finding novel PPI inhibitors that interfere with specific binding of two proteins is considered a great challenge, mainly due to the complexity involved in characterizing multi-molecular systems and limited understanding of the physical principles governing PPIs. Here we show that the combination of virtual screening techniques, which are capable of filtering a large library of potential small molecule inhibitors, and a unique secondary screening by isothermal titration calorimetry, a label-free method capable of observing direct interactions, is an efficient tool for finding such an inhibitor. In this study we applied this strategy in a search for a small molecule capable of interfering with the interaction of the tumor-suppressor p53 and the E3-ligase MDM2. We virtually screened a library of 15 million small molecules that were filtered to a final set of 80 virtual hits. Our in vitro experimental assay, designed to validate the activity of mixtures of compounds by isothermal titration calorimetry, was used to identify an active molecule against MDM2. At the end of the process the small molecule (4S,7R)-4-(4-chlorophenyl)-5-hydroxy-2,7-dimethyl-N-(6-methylpyridin-2-yl)-4,6,7,8 tetrahydrIoquinoline-3-carboxamide was found to bind MDM2 with a dissociation constant of ~2 µM. Following the identification of this single bioactive compound, spectroscopic measurements were used to further characterize the interaction of the small molecule with the target protein. 2D NMR spectroscopy was used to map the binding region of the small molecule, and fluorescence polarization measurement confirmed that it indeed competes with p53.

PRINCIPLE OF SKEW QUADRUPOLE MODULATION TO MEASURE BETATRON COUPLING

International Nuclear Information System (INIS)

LUO, Y.; PILAT, F.; ROSER, T.

2004-01-01

The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a very promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. The projections of the residual coupling coefficient onto the skew quadrupole coupling modulation directions are determined. The residual linear coupling could be corrected according to the measurement. An analytical solution for skew quadrupole modulation based on Hamiltonian perturbation approximation is given, and simulation code using smooth accelerator model is also developed. Some issues concerning the practical applications of this technique are discussed

SKEW QUADRUPOLE FOCUSING LATTICES AND APPLICATIONS

International Nuclear Information System (INIS)

Parker, B.

2001-01-01

In this paper we revisit using skew quadrupole fields in place of traditional normal upright quadrupole fields to make beam focusing structures. We illustrate by example skew lattice decoupling, dispersion suppression and chromatic correction using the neutrino factory Study-II muon storage ring design. Ongoing BNL investigation of flat coil magnet structures that allow building a very compact muon storage ring arc and other flat coil configurations that might bring significant magnet cost reduction to a VLHC motivate our study of skew focusing

Spin interactions of light quarks

International Nuclear Information System (INIS)

Simonov, Yu.A.

1989-01-01

Spin-spin and spin-orbit interactions of light quarks is calculated exactly, i.e. without use of perturbation expansion in (mass) -1 . Vacuum gluonic fields are represented by bilocal correlators and higher order correlators are neglected. Perturbative contribution is reproduced in lowest order by a simple modification of the bilocal correlator, and the smearing of the function in the hyperfine term is discussed. 12 refs

Light-optimized growth of cyanobacterial cultures: Growth phases and productivity of biomass and secreted molecules in light-limited batch growth.

Science.gov (United States)

Clark, Ryan L; McGinley, Laura L; Purdy, Hugh M; Korosh, Travis C; Reed, Jennifer L; Root, Thatcher W; Pfleger, Brian F

2018-03-27

Cyanobacteria are photosynthetic microorganisms whose metabolism can be modified through genetic engineering for production of a wide variety of molecules directly from CO 2 , light, and nutrients. Diverse molecules have been produced in small quantities by engineered cyanobacteria to demonstrate the feasibility of photosynthetic biorefineries. Consequently, there is interest in engineering these microorganisms to increase titer and productivity to meet industrial metrics. Unfortunately, differing experimental conditions and cultivation techniques confound comparisons of strains and metabolic engineering strategies. In this work, we discuss the factors governing photoautotrophic growth and demonstrate nutritionally replete conditions in which a model cyanobacterium can be grown to stationary phase with light as the sole limiting substrate. We introduce a mathematical framework for understanding the dynamics of growth and product secretion in light-limited cyanobacterial cultures. Using this framework, we demonstrate how cyanobacterial growth in differing experimental systems can be easily scaled by the volumetric photon delivery rate using the model organisms Synechococcus sp. strain PCC7002 and Synechococcus elongatus strain UTEX2973. We use this framework to predict scaled up growth and product secretion in 1L photobioreactors of two strains of Synechococcus PCC7002 engineered for production of l-lactate or L-lysine. The analytical framework developed in this work serves as a guide for future metabolic engineering studies of cyanobacteria to allow better comparison of experiments performed in different experimental systems and to further investigate the dynamics of growth and product secretion. Copyright © 2018 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

MEQALAC: (multiple electrostatic quadrupole linac): a new approach to low beta rf acceleration

International Nuclear Information System (INIS)

Mobley, R.M.; Brodowski, J.J.; Gammel, G.M.; Keane, J.T.; Maschka, A.W.; Sanders, R.T.

1980-01-01

MEQALAC is an acronym for a multiple-beam electrostatic-quadrupole array linear accelerator. The principle of operation is very simple. It makes use of the fact that electrostatic quadrupoles focus more effectively at low velocities than conventional magnetic quadrupoles. Moreover, the pole-tip field of an electrostatic quadrupole is limited by field emission of electrons, and is not a function of the size of the quadrupole. Conventional magnetic quadrupoles, on the other hand, require increasingly high current densities if one attempts to scale to smaller size

Light matter interaction in chaotic resonators

KAUST Repository

Liu, Changxu

2016-05-11

Chaos is a complex dynamics with exponential sensitivity to the initial conditions. Since the study of three-body problem by Henri Poincare, chaos has been extensively studied in many systems, ranging from electronics to fluids, brains and more recently photonics. Chaos is a ubiquitous phenomenon in Nature, from the gigantic oceanic waves to the disordered scales of white beetles at nanoscale. The presence of chaos is often unwanted in applications, as it introduces unpredictability,which makes it difficult to predict or explain experimental results. Inspired by how chaos permeates the natural world, this thesis investigates on how the interaction between light and chaotic structure can enhance the performance of photonics devices. With a proper design of the lighter-mater interaction in chaotic resonators, I illustrate how chaos can be used to enhance the ability of an optical cavity to store electromagnetic energy, realize a blackbody system composed of gold nanoparticles, localize light beyond the diffraction limit and control the phase transition of super-radiance.

Final Report: Cooling Molecules with Laser Light

International Nuclear Information System (INIS)

Di Rosa, Michael D.

2012-01-01

Certain diatomic molecules are disposed to laser cooling in the way successfully applied to certain atoms and that ushered in a revolution in ultracold atomic physics, an identification first made at Los Alamos and which took root during this program. Despite their manipulation into numerous achievements, atoms are nonetheless mundane denizens of the quantum world. Molecules, on the other hand, with their internal degrees of freedom and rich dynamical interplay, provide considerably more complexity. Two main goals of this program were to demonstrate the feasibility of laser-cooling molecules to the same temperatures as laser-cooled atoms and introduce a means for collecting laser-cooled molecules into dense ensembles, a foundational start of studies and applications of ultracold matter without equivalence in atomic systems.

Optimizing white light luminescence in Dy3+-doped Lu3Ga5O12 nano-garnets

International Nuclear Information System (INIS)

Haritha, P.; Linganna, K.; Venkatramu, V.; Martín, I. R.; Monteseguro, V.; Rodríguez-Mendoza, U. R.; Babu, P.; León-Luis, S. F.; Jayasankar, C. K.; Lavín, V.

2014-01-01

Trivalent dysprosium-doped Lu 3 Ga 5 O 12 nano-garnets have been prepared by sol-gel method and characterized by X-ray powder diffraction, high-resolution transmission electron microscopy, dynamic light scattering, and laser excited spectroscopy. Under a cw 457 nm laser excitation, the white luminescence properties of Lu 3 Ga 5 O 12 nano-garnets have been studied as a function of the optically active Dy 3+ ion concentration and at low temperature. Decay curves for the 4 F 9/2 level of Dy 3+ ion exhibit non-exponential nature for all the Dy 3+ concentrations, which have been well-fitted to a generalized energy transfer model for a quadrupole-quadrupole interaction between Dy 3+ ions without diffusion. From these data, a simple rate-equations model can be applied to predict that intense white luminescence could be obtained from 1.8 mol% Dy 3+ ions-doped nano-garnets, which is in good agreement with experimental results. Chromaticity color coordinates and correlated color temperatures have been determined as a function of temperature and are found to be within the white light region for all Dy 3+ concentrations. These results indicate that 2.0 mol% Dy 3+ ions doped nano-garnet could be useful for white light emitting device applications

Trapping and interactions of an ultracold gas of Cs2 molecules

International Nuclear Information System (INIS)

Mark, M.; Kraemer, T.; Herbig, J.; Waldburger, P.; Naegerl, H.C.; Chin, C.; Grimm, R.

2005-01-01

Full text: We investigate dynamics and interactions of Cs 2 dimers in a CO2-laser dipole trap. Starting with a Bose-Einstein condensate (BEC) of 2.2 x 10 5 Cs atoms, we create ultracold molecules in a single, weakly bound quantum state by sweeping the magnetic field across a narrow Feshbach resonance. When the molecules are created in free space, the conversion efficiency exceeds 30 %, yielding up to 50000 molecules. In our trapping experiments, about 6000 ultracold Cs 2 dimers are prepared in the optical trap at a temperature of 200 nK. We transfer the trapped molecules from the initial molecular state to other molecular states by following avoided crossings. We find two magnetically tunable resonances in collisions between the molecules for one of the molecular states. We interpret these Feshbach-liKEX resonances as being induced by Cs 4 bound states near the molecular scattering continuum. Further, we have discovered a new molecular state with very large orbital angular momentum of l = 8. This state is very weakly coupled to one of the initial molecular states. We use the associated avoided crossing as a molecular beam splitter to realize a molecular Ramsey-type interferometer. Refs. 2 (author)

Variable-field permanent-magnet quadrupole for the SSC

International Nuclear Information System (INIS)

Barlow, D.B.; Kraus, R.H. Jr.; Martinez, R.P.; Meyer, R.E.

1994-01-01

A set of compact variable-field permanent-magnet quadrupoles have been designed, fabricated, and tested for use in the SSC linac matching section. The quadrupoles have 24 mm-diameter apertures and 40 mm-long poles. The hybrid (permanent-magnet and iron) design, uses a fixed core of magnet material (NdFeB) and iron (C-1006) surrounded by a rotating ring of the same magnet material and iron. The quadrupole gradient-length product can be smoothly varied from a minimum of 0.7 T up to a maximum of 4.3 T by a 90 degree rotation of the outer ring of iron and magnet material

Variable-field permanent magnet quadrupole for the SSC

International Nuclear Information System (INIS)

Barlow, D.B.; Kraus, R.H. Jr.; Martinez, R.P.; Meyer, R.E.

1993-01-01

A set of compact variable-field permanent-magnet quadrupoles have been designed, fabricated, and tested for use In the SSC linac matching section. The quadrupoles have 24 mm-diameter apertures and 40 mm-long poles. The hybrid (permanent-magnet and iron) design, uses a fixed core of magnet material (NdFeB) and iron (C-1006) surrounded by a rotating ring of the same magnet material and iron. The quadrupole gradient-length product can be smoothly varied from a minimum of 0.7 T up to a maximum, of 4.3 T by a 90 degrees rotation of the outer ring of iron and magnet material

Raman scattering signatures of the unusual vibronic interaction of molecules in liquid helium-3

Energy Technology Data Exchange (ETDEWEB)

Tehver, I., E-mail: imbi.tehver@ut.ee [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Benedek, G. [Donostia International Physics Center (DIPC) and University of the Basque Country (EHU), Paseo de Lardizabal 4, 20018 Donostia/San Sebastian (Spain); Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Hizhnyakov, V. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia)

2015-10-16

Highlights: • Theory of resonance Raman scattering (RRS) of molecules in {sup 3}He liquid is proposed. • Fermi excitations give essential contribution to RRS. • RRS spectra of glyoxal molecule in {sup 3}He droplets are calculated. - Abstract: Light scattering in quantum liquid helium-3 may involve a unique mechanism – the creation and annihilation of atom excitations across the Fermi level. The density of states of particle–hole excitations in the low-energy limit is strongly enhanced as compared to that of collective excitations of phonons in helium-3. This makes possible to directly observe Fermi excitations in the resonant Raman scattering (RRS) by {sup 3}He droplets doped by impurity molecules. The RRS spectra essentially depend on the excitation frequency. In case of excitation in the anti-Stokes side of absorption the first order RRS is directly determined by the particle–hole excitations in the vicinity of the impurity molecule and the contribution of phonons mainly given by the localized spherical vibration. The calculations are made for a {sup 3}He droplet doped by a glyoxal molecule.

Development of Superconducting Focusing Quadrupoles for Heavy Ion Drivers

Energy Technology Data Exchange (ETDEWEB)

Martovetsky, N; Manahan, R; Lietzke, A F

2001-09-10

Heavy Ion Fusion (HIF) is exploring a promising path to a practical inertial-confinement fusion reactor. The associated heavy ion driver will require a large number of focusing quadrupole magnets. A concept for a superconducting quadrupole array, using many simple racetrack coils, was developed at LLNL. Two, single-bore quadrupole prototypes of the same design, with distinctly different conductor, were designed, built, and tested. Both prototypes reached their short sample currents with little or no training. Magnet design, and test results, are presented and discussed.

ISR Superconducting Quadrupoles

CERN Multimedia

1977-01-01

Michel Bouvier is preparing for curing the 6-pole superconducting windings inbedded in the cylindrical wall separating liquid helium from vacuum in the quadrupole aperture. The heat for curing the epoxy glue was provided by a ramp of infrared lamps which can be seen above the slowly rotating cylinder. See also 7703512X, 7702690X.

Random errors in the magnetic field coefficients of superconducting quadrupole magnets

International Nuclear Information System (INIS)

Herrera, J.; Hogue, R.; Prodell, A.; Thompson, P.; Wanderer, P.; Willen, E.

1987-01-01

The random multipole errors of superconducting quadrupoles are studied. For analyzing the multipoles which arise due to random variations in the size and locations of the current blocks, a model is outlined which gives the fractional field coefficients from the current distributions. With this approach, based on the symmetries of the quadrupole magnet, estimates are obtained of the random multipole errors for the arc quadrupoles envisioned for the Relativistic Heavy Ion Collider and for a single-layer quadrupole proposed for the Superconducting Super Collider

Tunable high-gradient permanent magnet quadrupoles

CERN Document Server

Shepherd, B J A; Marks, N; Collomb, N A; Stokes, D G; Modena, M; Struik, M; Bartalesi, A

2014-01-01

A novel type of highly tunable permanent magnet (PM) based quadrupole has been designed by the ZEPTO collaboration. A prototype of the design (ZEPTO-Q1), intended to match the specification for the CLIC Drive Beam Decelerator, was built and magnetically measured at Daresbury Laboratory and CERN. The prototype utilises two pairs of PMs which move in opposite directions along a single vertical axis to produce a quadrupole gradient variable between 15 and 60 T/m. The prototype meets CLIC's challenging specification in terms of the strength and tunability of the magnet.

Initial value gravitational quadrupole radiation theorem

International Nuclear Information System (INIS)

Winicour, J.

1987-01-01

A rigorous version of the quadrupole radiation formula is derived using the characteristic initial value formulation of a general relativistic fluid space-time. Starting from initial data for a Newtonian fluid, an algorithm is presented that determines characteristic initial data for a one-parameter family of general relativistic fluid space-times. At the initial time, a one-parameter family of space-times with this initial data osculates the evolution of the Newtonian fluid and has leading order news function equal to the third time derivative of the transverse Newtonian quadrupole moment

Quench Protection of SC Quadrupole Magnets

Science.gov (United States)

Feher, S.; Bossert, R.; Dimarco, J.; Mitchell, D.; Lamm, M. J.; Limon, P. J.; Mazur, P.; Nobrega, F.; Orris, D.; Ozelis, J. P.; Strait, J. B.; Tompkins, J. C.; Zlobin, A. V.; McInturff, A. D.

1997-05-01

The energy stored in a superconducting accelerator magnet is dissipated after a quench in the coil normal zones, heating the coil and generating a turn to turn and coil to ground voltage drop. Quench heaters are used to protect the superconducting magnet by greatly increasing the coil normal zone thus allowing the energy to be dissipated over a larger conductor volume. Such heaters will be required for the Fermilab/LBNL design of the high gradient quads (HGQ) designed for the LHC interaction regions. As a first step, heaters were installed and tested in several Tevatron low-β superconducting quadrupoles. Experimental studies in normal and superfluid helium are presented which show the heater-induced quench response as a function of magnet excitation current, magnet temperature and peak heater energy density.

Cold guided beams of polar molecules

International Nuclear Information System (INIS)

Motsch, Michael

2010-01-01

This thesis reports on experiments characterizing cold guided beams of polar molecules which are produced by electrostatic velocity filtering. This filtering method exploits the interaction between the polar molecules and the electric field provided by an electrostatic quadrupole guide to extract efficiently the slow molecules from a thermal reservoir. For molecules with large and linear Stark shifts such as deuterated ammonia (ND 3 ) or formaldehyde (H 2 CO), fluxes of guided molecules of 10 10 -10 11 molecules/s are produced. The velocities of the molecules in these beams are in the range of 10-200 m/s and correspond to typical translational temperatures of a few Kelvin. The maximum velocity of the guided molecules depends on the Stark shift, the molecular mass, the geometry of the guide, and the applied electrode voltage. Although the source is operated in the near-effusive regime, the number density of the slowest molecules is sensitive to collisions. A theoretical model, taking into account this velocity-dependent collisional loss of molecules in the vicinity of the nozzle, reproduces the density of the guided molecules over a wide pressure range. A careful adjustment of pressure allows an increase in the total number of molecules, whilst yet minimizing losses due to collisions of the sought-for slow molecules. This is an important issue for future applications. Electrostatic velocity filtering is suited for different molecular species. This is demonstrated by producing cold guided beams of the water isotopologs H 2 O, D 2 O, and HDO. Although these are chemically similar, they show linear and quadratic Stark shifts, respectively, when exposed to external electric fields. As a result, the flux of HDO is larger by one order of magnitude, and the flux of the individual isotopologs shows a characteristic dependence on the guiding electric field. The internal-state distribution of guided molecules is studied with a newly developed diagnostic method: depletion

On the representation of the electric charge distribution in ethane for calculations of the molecular quadrupole moment and intermolecular electrostatic energy

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; Alldredge, G. P.; Bruch, L. W.

1985-01-01

and gives a repulsive rather than an attractive electrostatic interaction at typical intermolecular distances. In the local multipole model, the atom-site dipoles give the largest contribution to both the molecular quadrupole moment and the intermolecular interaction. The Journal of Chemical Physics...

Strength of interactions between immobilized dye molecules and sol-gel matrices.

Science.gov (United States)

Ismail, Fanya; Schoenleber, Monika; Mansour, Rolan; Bastani, Behnam; Fielden, Peter; Goddard, Nicholas J

2011-02-21

In this paper we present a new theory to re-examine the immobilization technique of dye doped sol-gel films, define the strength and types of possible bonds between the immobilized molecule and sol-gel glass, and show that the immobilized molecule is not free inside the pores as was previously thought. Immobilizing three different pH sensitive dyes with different size and functional groups inside the same sol-gel films revealed important information about the nature of the interaction between the doped molecule and the sol-gel matrix. The samples were characterized by means of ultraviolet-visible spectrophotometer (UV-VIS), thermal gravimetric analysis (TGA), mercury porosimetry (MP), nuclear magnetic resonance spectroscopy ((29)Si NMR) and field-emission environmental scanning electron microscopy (ESEM-FEG). It was found that the doped molecule itself has a great effect on the strength and types of the bonds. A number of factors were identified, such as number and types of the functional groups, overall charge, size, pK(a) and number of the silanol groups which surround the immobilized molecule. These results were confirmed by the successful immobilization of bromocresol green (BCG) after a completely polymerized sol-gel was made. The sol-gel consisted of 50% tetraethoxysilane (TEOS) and 50% methyltriethoxysilane (MTEOS) (w/w). Moreover, the effect of the immobilized molecule on the structure of the sol-gel was studied by means of a leaky waveguide (LW) mode for doped films made before and after polymerization of the sol-gel.

Heavy-heavy and heavy-light quarks interactions generated by QCD vacuum

Directory of Open Access Journals (Sweden)

Musakhanov Mirzayusuf

2017-01-01

Full Text Available The QCD vacuum is populated by instantons that correspond to the tunneling processes in the vacuum. This mechanism creates the strong vacuum gluon fields. As result, the QCD vacuum instantons induce very strong interactions between light quarks, initially almost massless. Such a strong interactions bring a large dynamical mass M of the light quarks and bound them to produce almost massless pions in accordance with the spontaneous breaking of the chiral symmetry (SBCS. On the other hand, the QCD vacuum instantons also interact with heavy quarks and responsible for the generation of the heavy-heavy and heavy-light quarks interactions, with a traces of the SBCS. If we take the average instanton size ρ¯=0.33$\\bar \\rho = 0.33$ fm, and the average inter-instanton distance R¯=1$\\bar R = 1$ fm we obtain the dynamical light quark mass to be M = 365 MeV and the instanton media contribution to the heavy quark mass ΔM=70 MeV. These factors define the coupling between heavy-light and heavy-heavy quarks induced by the QCD vacuum instantons. We consider first the instanton effects on the heavy-heavy quarks potential, including its spin-dependent part. We also discuss those effects on the masses of the charmonia and their hyperfine mass splittings. At the second part we discuss the interaction between a heavy and light quarks generated by instantons and it’s effects.

Electric quadrupole and magnetic dipole interactions at {sup 181}Ta impurity in Zr{sub 2}Ni{sub 7} intermetallic compound: Experiment and first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Dey, C.C., E-mail: chandicharan.dey@saha.ac.in [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Srivastava, S.K. [Department of Physics and Meteorology, Indian Institute of Technology, Kharagpur 721302 (India)

2013-10-15

Electric quadrupole interactions at {sup 181}Ta impurity in the intermetallic compound Zr{sub 2}Ni{sub 7} have been studied by perturbed angular correlation technique. It has been found that there are two electric field gradients (EFG) at the {sup 181}Ta site due to two different crystalline configurations in Zr{sub 2}Ni{sub 7}, while contradictory results were reported from previous investigations. The values of EFG at room temperature have been found to be V{sub zz}=7.9×10{sup 17} V/cm{sup 2} and 7.1×10{sup 17} V/cm{sup 2} corresponding to present experimental values of quadrupole frequencies and asymmetry parameters for the two sites: ω{sub Q}{sup 1}=70.7(1) Mrad/s, η=0.28(1), δ=0.8(2)% (site fraction 84%) and ω{sub Q}{sup 2}=63(1) Mrad/s, η=0.35(5), δ∼0 (site fraction 9%). Electric field gradients and asymmetry parameters have been computed from the complementary first-principles density functional theory (DFT) to compare with present experimental results. Our calculated values of EFG are found to be in close agreement with the experimental results. No magnetic interactions in Zr{sub 2}Ni{sub 7} have been observed at 298 and 77 K which implies that there is no ferromagnetic ordering in this material down to 77 K. This observation is corroborated by theoretical calculations, wherein no magnetic moment or hyperfine field is found at any atomic site.

Theoretical investigation of flute modes in a magnetic quadrupole

International Nuclear Information System (INIS)

Wu, H.S.

1988-01-01

This research developed theories and conducted numerical investigations of electrostatic flute modes in a plasma confined in a magnetic quadrupole. Chapter I presents the discussion of relevant background. Chapter II contains a brief discussion of the basic flute-mode operator L 0 for intermediate- and low-frequency regimes. Chapter III develops a simple theory for a flute mode with frequency between the electron and ion bounce frequencies in the uniform density and temperature regions of a magnetic quadrupole. The frequency is predicted to be inversely proportional to the wave number. Chapter IV describes the kinetic approach. Chapter V contains the derivation of an eigenvalue equation for electrostatic waves with frequencies below the ion frequency in the private flux region of a magnetic quadrupole. Chapter VI develops a theory for electrostatic waves with frequency below the ion bounce frequency in the shared flux region of a magnetic quadrupole. Chapter VII contains the derivation of a dispersion equation for flute modes with frequencies between the electron and ion bounce frequencies in a plasma confined to a magnetic quadrupole. Chapter VIII presents a summary of the research described

Studying the molecular mechanisms of radiation damage : low-energy electron interactions with biomolecules and medically relevant molecules

International Nuclear Information System (INIS)

Tanzer, K.

2015-01-01

Since it was discovered in the year 2000 that secondary electrons with energies below 20 eV, which are the most abundant secondary species produced upon the interaction of ionizing radiation with biological tissue, can induce severe damages in the DNA such as single and double strand breaks, the interest for the study of the interaction of electrons with essential molecules of the human body has grown immensely. Double strand breaks can lead to cancer and are therefore a substantial threat to human health, however, the radiation research community is not sure how these strand breaks are formed upon interaction with ionizing radiation. The fact that even electrons with energies well below the ionization threshold can induce great damage in biological molecules via a resonant process called dissociative electron attachment (DEA), has even furthered the interest in these electron interactions, as it was shown to be a very efficient decomposition mechanism. A variety of studies, such as DEA studies to components of the DNA, for example, have been undertaken so far to shed more light on the role electrons play in the radiation damage of biomolecules. In this thesis two nucleobases, adenine and hypoxanthine, have been studied by observing their response towards low-energy electrons. It has been found that these nucleobases behave in a similar manner upon low-energy electron interaction, as do other nucleobases, that have been studied previously. The loss of hydrogen is suspected to act as a precursor for the decomposition of the DNA and the nucleobases can also undergo ring cleavage, which will induce substantial damage in the DNA. Furthermore, the search for improved and more efficient methods for the treatment of cancer is as important as ever, considering the ever-rising number of cancer deaths. Radiotherapy has proven to be one of the best treatments for tumors, but was found to be ineffective in hypoxic - oxygen deprived - tumors. Compounds called radiosensitizers

A Cryogenic Test Stand for LHC Quadrupole Magnets

International Nuclear Information System (INIS)

Carcagno, R.H.; Huang, Y.; Orris, D.F.; Peterson, T.J.; Rabehl, R.J.

2004-01-01

A new test stand for testing LHC interaction region (IR) quadrupole magnets at the Fermilab Magnet Test Facility has been designed and operated. The test stand uses a double bath system with a lambda plate to provide the magnet with a stagnant bath of pressurized He II at 1.9 K and 0.13 MPa. A cryostated magnet 0.91 m in diameter and up to 13 m in length can be accommodated. This paper describes the system design and operation. Issues related to both 4.5 K and 1.9 K operations and magnet quenching are highlighted. An overview of the data acquisition and cryogenics controls systems is also included

Reversible switching of ultrastrong light-molecule coupling

DEFF Research Database (Denmark)

Schwartz, T; Hutchison, J A; Genet, C

2011-01-01

We demonstrate that photochromic molecules enable switching from the weak- to ultrastrong-coupling regime reversibly, by using all-optical control. This switch is achieved by photochemically inducing conformational changes in the molecule. Remarkably, a Rabi splitting of 700 meV is measured at room...

Collisional damping of giant monopole and quadrupole resonances

International Nuclear Information System (INIS)

Yildirim, S.; Gokalp, A.; Yilmaz, O.; Ayik, S.

2001-01-01

Collisional damping widths of giant monopole and quadrupole excitations for 120 Sn and 208 Pb at zero and finite temperatures are calculated within Thomas-Fermi approximation by employing the microscopic in-medium cross-sections of Li and Machleidt and the phenomenological Skyrme and Gogny forces, and are compared with each other. The results for the collisional widths of giant monopole and quadrupole vibrations at zero temperature as a function of the mass number show that the collisional damping of giant monopole vibrations accounts for about 30 - 40% of the observed widths at zero temperature, while for giant quadrupole vibrations it accounts for only 20 - 30% of the observed widths at zero temperature. (orig.)

Spin interactions in Graphene-Single Molecule Magnets Hybrids

Science.gov (United States)

Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Aña; Luis, Fernando; Rauschenbach, Stephan; Dressel, Martin; Kern, Klaus; Burghard, Marko; Bogani, Lapo

2014-03-01

Graphene is a potential component of novel spintronics devices owing to its long spin diffusion length. Besides its use as spin-transport channel, graphene can be employed for the detection and manipulation of molecular spins. This requires an appropriate coupling between the sheets and the single molecular magnets (SMM). Here, we present a comprehensive characterization of graphene-Fe4 SMM hybrids. The Fe4 clusters are anchored non-covalently to the graphene following a diffusion-limited assembly and can reorganize into random networks when subjected to slightly elevated temperature. Molecules anchored on graphene sheets show unaltered static magnetic properties, whilst the quantum dynamics is profoundly modulated. Interaction with Dirac fermions becomes the dominant spin-relaxation channel, with observable effects produced by graphene phonons and reduced dipolar interactions. Coupling to graphene drives the spins over Villain's threshold, allowing the first observation of strongly-perturbative tunneling processes. Preliminary spin-transport experiments at low-temperature are further presented.

Table of Nuclear Electric Quadrupole Moments

International Nuclear Information System (INIS)

Stone, N.J.

2013-12-01

This Table is a compilation of experimental measurements of static electric quadrupole moments of ground states and excited states of atomic nuclei throughout the periodic table. To aid identification of the states, their excitation energy, half-life, spin and parity are given, along with a brief indication of the method and any reference standard used in the particular measurement. Experimental data from all quadrupole moment measurements actually provide a value of the product of the moment and the electric field gradient [EFG] acting at the nucleus. Knowledge of the EFG is thus necessary to extract the quadrupole moment. A single recommended value of the moment is given for each state, based, for each element, wherever possible, upon a standard reference moment for a nuclear state of that element studied in a situation in which the electric field gradient has been well calculated. For several elements one or more subsidiary reference EFG/moment references are required and their use is specified. The literature search covers the period to mid-2013. (author)

Fifth-order aberrations in magnetic quadrupole-octupole systems

International Nuclear Information System (INIS)

Ling, K.M.

1990-01-01

Explicit integral expressions are given for the fifth-order geometrical aberration coefficients in rectilinear magnetic quadrupole-octupole systems used for the transport of nonrelativistic charged particle beams. The numerical values of the fifth-order geometrical aberration coefficients for a rare earth cobalt (REC) quadrupole doublet are given as an example. 26 refs., 5 figs., 4 tabs

STITCH 2: an interaction network database for small molecules and proteins

DEFF Research Database (Denmark)

Kuhn, Michael; Szklarczyk, Damian; Franceschini, Andrea

2010-01-01

Over the last years, the publicly available knowledge on interactions between small molecules and proteins has been steadily increasing. To create a network of interactions, STITCH aims to integrate the data dispersed over the literature and various databases of biological pathways, drug......-target relationships and binding affinities. In STITCH 2, the number of relevant interactions is increased by incorporation of BindingDB, PharmGKB and the Comparative Toxicogenomics Database. The resulting network can be explored interactively or used as the basis for large-scale analyses. To facilitate links to other...... chemical databases, we adopt InChIKeys that allow identification of chemicals with a short, checksum-like string. STITCH 2.0 connects proteins from 630 organisms to over 74,000 different chemicals, including 2200 drugs. STITCH can be accessed at http://stitch.embl.de/....

Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations

Energy Technology Data Exchange (ETDEWEB)

Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.

2017-02-03

Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.

Higher-order interactions in molecular collisions studied by a novel laser spectroscopic method

International Nuclear Information System (INIS)

Kajita, M.; Tachikawa, M.; Shimizu, T.

1986-01-01

This is the first systematic experiment to study the characteristics of the dipole-quadrupole and dipole-induced dipole interactions as well as the dipole-dipole interaction. The authors developed a new method to measure the relaxation rate constant of a weak IR transition. The absorption cell is introduced inside the CO/sub 2/ laser cavity to improve sensitivity. The transient oscillation superimposed on the cw laser output is observed when the Stark pulse is applied to the absorbing molecules. The absorption increases when the better coincidence between the laser and absorption lines is obtained by application of the Stark voltage. The absorption decreases for a larger Stark voltage. The sign of the signal depends on whether the absorption intensity increases or decreases due to the Stark field. Since pressure broadening modifies the absorption line shape, the sign of the signal changes when the pressure is increased. The relaxation rate constant can be determined by observing the sign of the signal. The experiment is performed with the frequency coincidence between the CH/sub 3/CN ν/sub 7//sup r/ R(6.6) line and the CO/sub 2/ laser 9.4-μm R(22) line. The relaxation rate constants against various foreign gas molecules (polar molecules, nonpolar linear molecules, and spherical atoms and molecules) have been determined

Decay of the giant quadrupoles resonance and higher excitation states in 40Ca

International Nuclear Information System (INIS)

Alamanos, N.; Fernandez, B.; Gillibert, A.

1991-01-01

Light charged particles have been measured in coincidence with inelastically scattered fragments from the 40 Ca + 40 Ca reaction at 50 MeV/N. Such a measurement allows to unravel the different reaction mechanisms contributing to the inelastic spectrum: pick-up break-up reactions, knock out and inelastic excitations. The giant quadrupole resonance in 40 Ca is shown to present a 30% non statistical decay branch. A prominent structure at 34 MeV is attributed to target excitation, the decay of this structure is studied

Attosecond electron dynamics in molecules and liquids

Science.gov (United States)

WöRner, Hans Jakob

The ultrafast motion of electrons and holes following light-matter interaction is fundamental to a broad range of chemical and biophysical processes. In this lecture, I will discuss some of our recent experiments that measure the atomic-scale motion of charge with attosecond temporal resolution (1 as = 10-18s). The first experiment is carried out on isolated, spatially oriented molecules in the gas phase. Using high-harmonic spectroscopy, we resolve the migration of an electron hole across the molecule with a resolution of 100 as and simultaneously demonstrate extensive control over charge migration. In the second class of experiments, we use an attosecond pulse train synchronized with a near-infrared laser pulse to temporally resolve the process of photoemission from molecules in the gas phase and from a liquid-water microjet, resolving electron transport through liquid water on the attosecond time scale.

Bench-marking beam-beam simulations using coherent quadrupole effects

International Nuclear Information System (INIS)

Krishnagopal, S.; Chin, Y.H.

1992-06-01

Computer simulations are used extensively in the study of the beam-beam interaction. The proliferation of such codes raises the important question of their reliability, and motivates the development of a dependable set of bench-marks. We argue that rather than detailed quantitative comparisons, the ability of different codes to predict the same qualitative physics should be used as a criterion for such bench-marks. We use the striking phenomenon of coherent quadrupole oscillations as one such bench-mark, and demonstrate that our codes do indeed observe this behaviour. We also suggest some other tests that could be used as bench-marks

Bench-marking beam-beam simulations using coherent quadrupole effects

International Nuclear Information System (INIS)

Krishnagopal, S.; Chin, Y.H.

1992-01-01

Computer simulations are used extensively in the study of the beam-beam interaction. The proliferation of such codes raises the important question of their reliability, and motivates the development of a dependable set of bench-marks. We argue that rather than detailed quantitative comparisons, the ability of different codes to predict the same qualitative physics should be used as a criterion for such bench-marks. We use the striking phenomenon of coherent quadrupole oscillations as one such bench-mark, and demonstrate that our codes do indeed observe this behavior. We also suggest some other tests that could be used as bench-marks

A MOLECULAR DYNAMICS STUDY ON SLOW ION INTERACTIONS WITH THE POLYCYCLIC AROMATIC HYDROCARBON MOLECULE ANTHRACENE

NARCIS (Netherlands)

Postma, J.; Hoekstra, Ronnie; Tielens, A. G. G. M.; Schlathölter, Thomas

2014-01-01

Atomic collisions with polycyclic aromatic hydrocarbon (PAH) molecules are astrophysically particularly relevant for collision energies of less than 1 keV. In this regime, the interaction dynamics are dominated by elastic interactions. We have employed a molecular dynamics simulation based on

Progress in the development of superconducting quadrupoles for heavy ion fusion

International Nuclear Information System (INIS)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, B.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-01-01

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported

Progress in the development of superconducting quadrupoles for heavy ion fusion

Energy Technology Data Exchange (ETDEWEB)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, B.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-05-24

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

Progress in the Development of Superconducting Quadrupoles forHeavy-ion Fusion

Energy Technology Data Exchange (ETDEWEB)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, R.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-08-19

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

Biophysics of DNA-Protein Interactions From Single Molecules to Biological Systems

CERN Document Server

Williams, Mark C

2011-01-01

This book presents a concise overview of current research on the biophysics of DNA-protein interactions. A wide range of new and classical methods are presented by authors investigating physical mechanisms by which proteins interact with DNA. For example, several chapters address the mechanisms by which proteins search for and recognize specific binding sites on DNA, a process critical for cellular function. Single molecule methods such as force spectroscopy as well as fluorescence imaging and tracking are described in these chapters as well as other parts of the book that address the dynamics of protein-DNA interactions. Other important topics include the mechanisms by which proteins engage DNA sequences and/or alter DNA structure. These simple but important model interactions are then placed in the broader biological context with discussion of larger protein-DNA complexes . Topics include replication forks, recombination complexes, DNA repair interactions, and ultimately, methods to understand the chromatin...

Field quality of the LHC inner triplet quadrupoles being fabricated at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Gueorgui V. Velev et al.

2003-06-02

Fermilab, as part of the US-LHC Accelerator Project, has designed and is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 70 mm bore, 5.5 m long magnets operate in superfluid helium at 1.9 K with a maximum operating gradient of 214 T/m. Two quadrupoles, combined with a dipole orbit corrector, form a single LQXB cryogenic assembly, the Q2 optical element of the final focus triplets in the LHC interaction regions. Field quality was measured at room temperature during fabrication of the cold masses as well as at superfluid helium temperature in two thermal cycles for the first LQXB cryogenic assembly. Integral cold measurements were made with a 7.1 m long rotating coil and with a 0.8 m long rotating coil at 8 axial positions and in a range of currents. In addition to the magnetic measurements, this paper reports on the quench performance of the cold masses and on the measurements of their internal alignment.

ISR "Terwilliger" Quadrupole

CERN Multimedia

1983-01-01

There were 48 of these Quadrupoles in the ISR. They were distributed around the rings according to the so-called Terwilliger scheme. Their aperture was 184 mm, their core length 300 mm, their gradient 5 T/m. Due to their small length as compared to the aperture, the end fringe field errors had to be compensated by suitably shaping the poles.

Single-Molecule Interfacial Electron Transfer

Energy Technology Data Exchange (ETDEWEB)

Lu, H. Peter [Bowling Green State Univ., Bowling Green, OH (United States). Dept. of Chemistry and Center for Photochemical Sciences

2017-11-28

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static and dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO₂ and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO₂ nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO₂ nanoparticle surfaces by using ultrafast single-molecule

A new framework for interactive quality assessment with application to light field coding

Science.gov (United States)

Viola, Irene; Ebrahimi, Touradj

2017-09-01

In recent years, light field has experienced a surge of popularity, mainly due to the recent advances in acquisition and rendering technologies that have made it more accessible to the public. Thanks to image-based rendering techniques, light field contents can be rendered in real time on common 2D screens, allowing virtual navigation through the captured scenes in an interactive fashion. However, this richer representation of the scene poses the problem of reliable quality assessments for light field contents. In particular, while subjective methodologies that enable interaction have already been proposed, no work has been done on assessing how users interact with light field contents. In this paper, we propose a new framework to subjectively assess the quality of light field contents in an interactive manner and simultaneously track users behaviour. The framework is successfully used to perform subjective assessment of two coding solutions. Moreover, statistical analysis performed on the results shows interesting correlation between subjective scores and average interaction time.

Molecular-beam spectroscopy of interhalogen molecules

International Nuclear Information System (INIS)

Sherrow, S.A.

1983-08-01

A molecular-beam electric-resonance spectrometer employing a supersonic nozzle source has been used to obtain hyperfine spectra of 79 Br 35 Cl. Analyses of these spectra and of microwave spectra published by other authors have yielded new values for the electric dipole moment and for the nuclear quadrupole coupling constants in this molecule. The new constants are significantly different from the currently accepted values. Van der Waals clusters containing chlorine monofluoride have been studied under various expansion conditions by the molecular-beam electric-deflection method. The structural possibilities indicated by the results are discussed, and cluster geometries are proposed

Spontaneous transition rates for electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions for He-like calcium and sulfur ions

International Nuclear Information System (INIS)

Kingston, A.E.; Norrington, P.H.; Boone, A.W.

2002-01-01

The spontaneous decay rates for the electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2) transitions between all of the 1s 2 , 1s2 l and 1s3 l states have been obtained for helium-like calcium and sulfur ions. To assess the accuracy of the calculations, the transition probabilities were calculated using two sets of configuration interaction wavefunctions. One set of wavefunctions was generated using the fully relativistic GRASP code and the other was obtained using CIV3, in which relativistic effects are introduced using the Breit-Pauli approximation. The transition rates, A values, oscillator strengths and line strengths from our two calculations are found to be similar and to compare very well with other recent results for Δn=1 or 2 transitions. For Δn=0 transitions the agreement is much less good; this is mainly due to differences in the calculated excitation energies. (author)

Interaction between a "processed" ovalbumin peptide and Ia molecules

DEFF Research Database (Denmark)

Buus, S; Colon, S; Smith, C

1986-01-01

The binding of 125I-labeled immunogenic peptides to purified Ia molecules in detergent solution was examined by equilibrium dialysis. We used the chicken ovalbumin peptide ovalbumin-(323-339)-Tyr, which is immunogenic in the BALB/c mouse and restricted to I-Ad. 125I-labeled ovalbumin-(323-339)-Tyr......-Ak but not to I-Ek, I-Ad, or I-Ed. Thus, a specific interaction between Ia and antigen that correlates with the major histocompatibility complex restriction was demonstrated, strongly arguing in favor of a determinant selection hypothesis for such restriction....

Near optimal discrimination of binary coherent signals via atom–light interaction

Science.gov (United States)

Han, Rui; Bergou, János A.; Leuchs, Gerd

2018-04-01

We study the discrimination of weak coherent states of light with significant overlaps by nondestructive measurements on the light states through measuring atomic states that are entangled to the coherent states via dipole coupling. In this way, the problem of measuring and discriminating coherent light states is shifted to finding the appropriate atom–light interaction and atomic measurements. We show that this scheme allows us to attain a probability of error extremely close to the Helstrom bound, the ultimate quantum limit for discriminating binary quantum states, through the simple Jaynes–Cummings interaction between the field and ancilla with optimized light–atom coupling and projective measurements on the atomic states. Moreover, since the measurement is nondestructive on the light state, information that is not detected by one measurement can be extracted from the post-measurement light states through subsequent measurements.

Photoexcitation circular dichroism in chiral molecules

Science.gov (United States)

Beaulieu, S.; Comby, A.; Descamps, D.; Fabre, B.; Garcia, G. A.; Géneaux, R.; Harvey, A. G.; Légaré, F.; Mašín, Z.; Nahon, L.; Ordonez, A. F.; Petit, S.; Pons, B.; Mairesse, Y.; Smirnova, O.; Blanchet, V.

2018-05-01

Chiral effects appear in a wide variety of natural phenomena and are of fundamental importance in science, from particle physics to metamaterials. The standard technique of chiral discrimination—photoabsorption circular dichroism—relies on the magnetic properties of a chiral medium and yields an extremely weak chiral response. Here, we propose and demonstrate an orders of magnitude more sensitive type of circular dichroism in neutral molecules: photoexcitation circular dichroism. This technique does not rely on weak magnetic effects, but takes advantage of the coherent helical motion of bound electrons excited by ultrashort circularly polarized light. It results in an ultrafast chiral response and the efficient excitation of a macroscopic chiral density in an initially isotropic ensemble of randomly oriented chiral molecules. We probe this excitation using linearly polarized laser pulses, without the aid of further chiral interactions. Our time-resolved study of vibronic chiral dynamics opens a way to the efficient initiation, control and monitoring of chiral chemical change in neutral molecules at the level of electrons.

Structural requirements for the interaction between class II MHC molecules and peptide antigens

DEFF Research Database (Denmark)

Sette, A; Buus, S; Appella, E

1990-01-01

of binding, it is possible to define certain structural features of peptides that are associated with the capacity to bind to a particular MHC specificity (IA(d) or IE(d)); 3) IA(d) and IE(d) molecules recognize different and independent structures on the antigen molecule; 4) only about 10% of the single...... IA(d) and IE(d) molecules and their peptide ligands, we found that some structural characteristics apply to both antigen-MHC interactions. In particular, we found: 1) each MHC molecule is capable of binding many unrelated peptides through the same peptide-binding site; 2) despite this permissiveness...... amino acid substitutions tested on two IA(d)- and IE(d)-binding peptides had significant effect on their MHC-binding capacities, while over 80% of these substitutions significantly impaired T cell recognition of the Ia-peptide complex; 5) based on the segregation between residues that are crucial for T...

Semimicroscopic description of the giant quadrupole resonances in deformed nuclei

International Nuclear Information System (INIS)

Kurchev, G.; Malov, L.A.; Nesterenko, V.O.; Soloviev, V.G.

1976-01-01

The calculation results of the giant quadrupole isoscalar and isovector resonances performed within the random phase approximation are represented. The strength functions for E2-transitions are calculated for doubly even deformed nuclei in the regions 150 (<=) A < 190 and 228 (<=) A < 248 in the energy interval (0-40) MeV. The following integral characteristics of giant quadrupole resonances are obtained: the position, widths, the contribution to the energy weighted sum rule and the contribution to the total cross section of photoabsorption. The calculations have shown that giant quadrupole resonances are common for all the considered nuclei. The calculated characteristics of the isoscalar giant quadrupole resonance agree with the available experimental data. The calculations also show that the semimicroscopic theory can be successfully applied for the description of giant multipole resonances

Kinetic energy in the collective quadrupole Hamiltonian from the experimental data

Energy Technology Data Exchange (ETDEWEB)

Jolos, R.V., E-mail: jolos@theor.jinr.ru [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation); Kolganova, E.A. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation)

2017-06-10

Dependence of the kinetic energy term of the collective nuclear Hamiltonian on collective momentum is considered. It is shown that the fourth order in collective momentum term of the collective quadrupole Hamiltonian generates a sizable effect on the excitation energies and the matrix elements of the quadrupole moment operator. It is demonstrated that the results of calculation are sensitive to the values of some matrix elements of the quadrupole moment. It stresses the importance for a concrete nucleus to have the experimental data for the reduced matrix elements of the quadrupole moment operator taken between all low lying states with the angular momenta not exceeding 4.

Characterization of goat colostrum oligosaccharides by nano-liquid chromatography on chip quadrupole time-of-flight mass spectrometry and hydrophilic interaction liquid chromatography-quadrupole mass spectrometry.

Science.gov (United States)

Martín-Ortiz, A; Salcedo, J; Barile, D; Bunyatratchata, A; Moreno, F J; Martin-García, I; Clemente, A; Sanz, M L; Ruiz-Matute, A I

2016-01-08

A detailed qualitative and quantitative characterization of goat colostrum oligosaccharides (GCO) has been carried out for the first time. Defatted and deproteinized colostrum samples, previously treated by size exclusion chromatography (SEC) to remove lactose, were analyzed by nanoflow liquid chromatography-quadrupole-time of flight mass spectrometry (Nano-LC-Chip-Q-TOF MS). Up to 78 oligosaccharides containing hexose, hexosamine, fucose, N-acetylneuraminic acid or N-glycolylneuraminic acid monomeric units were identified in the samples, some of them detected for the first time in goat colostra. As a second step, a hydrophilic interaction liquid chromatography coupled to mass spectrometry (HILIC-MS) methodology was developed for the separation and quantitation of the main GCO, both acidic and neutral carbohydrates. Among other experimental chromatographic conditions, mobile phase additives and column temperature were evaluated in terms of retention time, resolution, peak width and symmetry of target carbohydrates. Narrow peaks (wh: 0.2-0.6min) and good symmetry (As: 0.8-1.4) were obtained for GCO using an acetonitrile:water gradient with 0.1% ammonium hydroxide at 40°C. These conditions were selected to quantify the main oligosaccharides in goat colostrum samples. Values ranging from 140 to 315mgL(-1) for neutral oligosaccharides and from 83 to 251mgL(-1) for acidic oligosaccharides were found. The combination of both techniques resulted to be useful to achieve a comprehensive characterization of GCO. Copyright © 2015 Elsevier B.V. All rights reserved.

The quintic interaction vertex in light-cone gravity

International Nuclear Information System (INIS)

Ananth, Sudarshan

2008-01-01

We consider pure gravity in light-cone gauge and derive the complete quintic interaction vertex. Up to quartic order, the Kawai-Lewellen-Tye (KLT) relations can be made manifest at the level of the Einstein-Hilbert Lagrangian. The quintic interaction vertex represents an essential first step in further extending the off-shell validity of the KLT relations to higher order vertices

Enhancement of Light-Matter Interaction in Semiconductor Nanostructures

DEFF Research Database (Denmark)

Stobbe, Søren

This thesis reports research on enhancement of light-matter interaction in semi- conductor quantum nanostructures by means of nanostructure fabrication, optical measurements, and theoretical modeling. Photonic crystal membranes of very high quality and samples for studies of quantum dots in proxi......-matter interaction is investigated. For the rst time the vacuum Rabi splitting is observed in an electrically tunable device....

Hyperfine interaction of {sup 25}Al in {alpha}-Al{sub 2}O{sub 3} and its quadrupole moment

Energy Technology Data Exchange (ETDEWEB)

Matsuta, K., E-mail: matsuta@vg.phys.sci.osaka-u.ac.jp; Mihara, M. [Osaka University, Department of Physics (Japan); Nagatomo, T. [RIKEN (Japan); Matsumiya, R. [Osaka University, Department of Physics (Japan); Momota, S. [Kochi University of Technology (Japan); Ohtsubo, T. [Niigata University, Department of Physics (Japan); Izumikawa, T. [Niigata University, Radioisotope Center (Japan); Hirano, H.; Takahashi, S. [Niigata University, Department of Physics (Japan); Nishimura, D.; Komurasaki, J. [Osaka University, Department of Physics (Japan); Kitagawa, A.; Kanazawa, M.; Torikoshi, M.; Sato, S. [National Institute of Radiological Sciences (Japan); Fukuda, M. [Osaka University, Department of Physics (Japan); Minamisono, T. [Fukui University of Technology (Japan); Sumikama, T. [Tokyo University of Science (Japan); Tanaka, K.; Takechi, M. [RIKEN (Japan)

2007-11-15

The electric quadrupole (Q) moment of short-lived nucleus {sup 25}Al (I{sup {pi}} = 5/2{sup +}, T{sub 1/2} = 7.18 s) has been measured for the first time, by means of the {beta}-NQR technique. The spin polarization of {sup 25}Al was produced in heavy ion collisions and was kept in a {alpha}-Al{sub 2}O{sub 3} single crystal for as long as 2 s and the quadrupole coupling frequency was obtained as vertical bar eqQ / h({sup 25}Al in Al{sub 2}O{sub 3}) vertical bar = (4.05 {+-}0.30) MHz. From the result, the Q moment was determined as |Q({sup 25}Al)| = (240 {+-}20) mb. The present Q moment is larger by 30% than the shell model value of 184 mb, calculated by OXBASH code, which may show additional deformation of the nucleus.

Pulsed radiofrequency microwave fields around a quadrupole particle accelerator: measurement and safety evaluation

International Nuclear Information System (INIS)

Sachdev, R.N.; Swarup, G.; Rajan, K.K.; Joseph, L.

1996-01-01

Pulsed radiofrequency microwave radiation (RFMR) fields occur during the use of high power microwaves in plasma heating in fusion research, plasma and solid state diagnostics, particle accelerators and colliders, pump sources in lasers, material processing as well as in high power radars. This paper describes the experimental work done at Trombay for measurement of pulsed RFMR fields in the working area of a radiofrequency quadrupole (RFQ) accelerator with the use of a meter calibrated in continuous field and interprets the observed fields in the light of existing protection criteria for pulsed RFMR fields. (author)

Cosmological constraints on interacting light particles

Energy Technology Data Exchange (ETDEWEB)

Brust, Christopher [Perimeter Institute for Theoretical Physics, 31 Caroline Street N, Waterloo, ON, N2L 2Y5 Canada (Canada); Cui, Yanou [Department of Physics and Astronomy, University of California, 900 University Ave, Riverside, CA, 92521 (United States); Sigurdson, Kris, E-mail: cbrust@perimeterinstitute.ca, E-mail: yanou.cui@ucr.edu, E-mail: krs@phas.ubc.ca [Department of Physics and Astronomy, University of British Columbia, 6224 Agricultural Road, Vancouver, BC, V6T 1Z1 Canada (Canada)

2017-08-01

Cosmological observations are becoming increasingly sensitive to the effects of light particles in the form of dark radiation (DR) at the time of recombination. The conventional observable of effective neutrino number, N {sub eff}, is insufficient for probing generic, interacting models of DR. In this work, we perform likelihood analyses which allow both free-streaming effective neutrinos (parametrized by N {sub eff}) and interacting effective neutrinos (parametrized by N {sub fld}). We motivate an alternative parametrization of DR in terms of N {sub tot} (total effective number of neutrinos) and f {sub fs} (the fraction of effective neutrinos which are free-streaming), which is less degenerate than using N {sub eff} and N {sub fld}. Using the Planck 2015 likelihoods in conjunction with measurements of baryon acoustic oscillations (BAO), we find constraints on the total amount of beyond the Standard Model effective neutrinos (both free-streaming and interacting) of Δ N {sub tot} < 0.39 at 2σ. In addition, we consider the possibility that this scenario alleviates the tensions between early-time and late-time cosmological observations, in particular the measurements of σ{sub 8} (the amplitude of matter power fluctuations at 8 h {sup −1} Mpc), finding a mild preference for interactions among light species. We further forecast the sensitivities of a variety of future experiments, including Advanced ACTPol (a representative CMB Stage-III experiment), CMB Stage-IV, and the Euclid satellite. This study is relevant for probing non-standard neutrino physics as well as a wide variety of new particle physics models beyond the Standard Model that involve dark radiation.

Quadrupole magnets for IR-FEL at RRCAT

International Nuclear Information System (INIS)

Ruwali, Kailash; Singh, Kushraj; Mishra, Anil Kumar; Biswas, Bhaskar

2013-01-01

The IR-FEL project at RRCAT needs quadrupole magnets for focusing 15 to 35 MeV electron beam through a dog-leg type beam line. This bend needs tighter relative tolerances on the central quadrupole triplet . The magnetic design, fabrication and magnetic characterization of five quadrupole magnets were carried out. The poles are detachable and wider than the coils. This significantly improves the good field region of the magnet. The magnet cross-section was optimized using 2D POISON code and entry-exit tapers were optimized using 3D code TOSCA.. The aperture radius of the magnet is 30 mm and the total core length is 180 mm. The integrated gradient of magnet is 0.51 T. The magnetic measurements were carried out using Danfysik make rotating coil bench model 690. Integrated gradient and multipoles present in the magnet aperture were measured at various excitation levels. The details of magnetic development and the magnetic measurements are discussed in this paper. (author)

Twisted molecular excitons as mediators for changing the angular momentum of light

Science.gov (United States)

Zang, Xiaoning; Lusk, Mark T.

2017-07-01

Molecules with CN or CN h symmetry can absorb quanta of optical angular momentum to generate twisted excitons with well-defined quasiangular momenta of their own. Angular momentum is conserved in such interactions at the level of a paraxial approximation for the light beam. A sequence of absorption events can thus be used to create a range of excitonic angular momenta. Subsequent decay can produce radiation with a single angular momentum equal to that accumulated. Such molecules can thus be viewed as mediators for changing the angular momentum of light. This sidesteps the need to exploit nonlinear light-matter interactions based on higher-order susceptibilities. A tight-binding paradigm is used to verify angular momentum conservation and demonstrate how it can be exploited to change the angular momentum of light. The approach is then extended to a time-dependent density functional theory setting where the key results are shown to hold in a many-body, multilevel setting.

Design of the LINAC4 Transfer Line Quadrupole Electromagnets

CERN Document Server

Vanherpe, L

2013-01-01

Beam focusing in the various segments of the Linac4 Transfer Line is provided by quadrupole electromagnets. In total seventeen pulsed, air-cooled quadrupole electromagnets are required. They are made of laminated electrical steel yokes and coils wound from solid copper wire. All magnets have an aperture radius of 50 mm and are required to provide an integrated field gradient of 1.8 T over a magnetic length of 300 mm. This design report summarizes the main magnetic, electrical and mechanical design parameters of the Linac4 Transfer Line Quadrupole Magnets. The effect of the vacuum chamber on the magnetic field quality and the field delay is studied.

Rf quadrupole beam dynamics

International Nuclear Information System (INIS)

Stokes, R.H.; Crandall, K.R.; Stovall, J.E.; Swenson, D.A.

1979-01-01

A method has been developed to analyze the beam dynamics of the radiofrequency quadrupole accelerating structure. Calculations show that this structure can accept a dc beam at low velocity, bunch it with high capture efficiency, and accelerate it to a velocity suitable for injection into a drift tube linac

Investigation of the interaction of ferromagnetic fluids with proteins by dynamic light scattering

Science.gov (United States)

Velichko, Elena; Nepomnyashchaya, Elina; Dudina, Alina; Pleshakov, Ivan; Aksenov, Evgenii

2018-04-01

In this article the interaction between ionically stabilized magnetic nanoparticles and blood serum albumin proteins in liquid medium are discussed. Some distributions of nanoparticles' agglomerate sizes in solutions of albumin molecules, magnetic nanoparticles and their mixtures both under the influence of magnetic field and free from it are presented. It is shown that magnetic nanoparticles interact with albumin molecules, forming agglomerates. It is also shown that at the influence of magnetic field sizes of agglomerates increase proportionally to the magnetic field density.

Nonlinear light-matter interactions in engineered optical media

Science.gov (United States)

Litchinitser, Natalia

In this talk, we consider fundamental optical phenomena at the interface of nonlinear and singular optics in artificial media, including theoretical and experimental studies of linear and nonlinear light-matter interactions of vector and singular optical beams in metamaterials. We show that unique optical properties of metamaterials open unlimited prospects to ``engineer'' light itself. Thanks to their ability to manipulate both electric and magnetic field components, metamaterials open new degrees of freedom for tailoring complex polarization states and orbital angular momentum (OAM) of light. We will discuss several approaches to structured light manipulation on the nanoscale using metal-dielectric, all-dielectric and hyperbolic metamaterials. These new functionalities, including polarization and OAM conversion, beam magnification and de-magnification, and sub-wavelength imaging using novel non-resonant hyperlens are likely to enable a new generation of on-chip or all-fiber structured light applications. The emergence of metamaterials also has a strong potential to enable a plethora of novel nonlinear light-matter interactions and even new nonlinear materials. In particular, nonlinear focusing and defocusing effects are of paramount importance for manipulation of the minimum focusing spot size of structured light beams necessary for nanoscale trapping, manipulation, and fundamental spectroscopic studies. Colloidal suspensions offer as a promising platform for engineering polarizibilities and realization of large and tunable nonlinearities. We will present our recent studies of the phenomenon of spatial modulational instability leading to laser beam filamentation in an engineered soft-matter nonlinear medium. Finally, we introduce so-called virtual hyperbolic metamaterials formed by an array of plasma channels in air as a result of self-focusing of an intense laser pulse, and show that such structure can be used to manipulate microwave beams in a free space. This

Multiplex single-molecule interaction profiling of DNA barcoded proteins

Science.gov (United States)

Gu, Liangcai; Li, Chao; Aach, John; Hill, David E.; Vidal, Marc; Church, George M.

2014-01-01

In contrast with advances in massively parallel DNA sequencing1, high-throughput protein analyses2-4 are often limited by ensemble measurements, individual analyte purification and hence compromised quality and cost-effectiveness. Single-molecule (SM) protein detection achieved using optical methods5 is limited by the number of spectrally nonoverlapping chromophores. Here, we introduce a single molecular interaction-sequencing (SMI-Seq) technology for parallel protein interaction profiling leveraging SM advantages. DNA barcodes are attached to proteins collectively via ribosome display6 or individually via enzymatic conjugation. Barcoded proteins are assayed en masse in aqueous solution and subsequently immobilized in a polyacrylamide (PAA) thin film to construct a random SM array, where barcoding DNAs are amplified into in situ polymerase colonies (polonies)7 and analyzed by DNA sequencing. This method allows precise quantification of various proteins with a theoretical maximum array density of over one million polonies per square millimeter. Furthermore, protein interactions can be measured based on the statistics of colocalized polonies arising from barcoding DNAs of interacting proteins. Two demanding applications, G-protein coupled receptor (GPCR) and antibody binding profiling, were demonstrated. SMI-Seq enables “library vs. library” screening in a one-pot assay, simultaneously interrogating molecular binding affinity and specificity. PMID:25252978

NMR of dielectrically oriented molecules

International Nuclear Information System (INIS)

Ruessink, B.H.

1986-01-01

General information on experimental aspects of EFNMR is given. It is shown that the complete 14 N quadrupole tensor (qct) of pyridine and pyrimidine in the liquid state is accessible to EFNMR. Information obtained about 17 O qct in liquid nitromethane, is compared with results from other techniques. The 33 S qct in liquid sulfolane is investigated. The EFNMR results, combined with those from spin-lattice relaxation time measurements and from Hartree-Fock-Slater MO calculations, allowed the complete assignment of the 33 S qct. The quadrupole coupling of both 10 B and 11 B in a carborane compound is investigated and, together with the results of spin-lattice relaxation time measurements, detailed information about the assignment of the boron qct's could be derived. EFNMR studies of apolar molecules are described. A limitation in EFNMR is the inhomogeneity (delta B) of the magnetic field, which is introduced by the use of non-spinning sample cells. A way out is the detection of zero quantum transitions, their widths being independent of delta B. The results and prospectives of this approach are shown for the simple three spin 1/2 system of acrylonitrile in which the small dipolar proton-proton couplings could be revealed via zero quantum transitions. (Auth.)

Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules

International Nuclear Information System (INIS)

Pederson, Mark R.; Baruah, Tunna; Basurto, Luis; Kao, Der-you

2016-01-01

We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C 60 , and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexity of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C 60 molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.

Quadrupole moments of highly deformed structures in the A ∼ 135 region: Probing the single-particle motion in a rotating potential

International Nuclear Information System (INIS)

Laird, R.W.; Riley, M.A.; Brown, T.B.; Pfohl, J.; Sheline, R.K.; Kondev, F.G.; Archer, D.E.; Clark, R.M.; Fallon, P.; Devlin, M.; LaFosse, D.R.; Sarantites, D.G.; Hartley, D.J.; Hibbert, I.M.; O'Brien, N.J.; Wadsworth, R.; Joss, D.T.; Nolan, P.J.; Paul, E.S.; Shepherd, S.L.

2002-01-01

The latest generation γ-ray detection system, GAMMASPHERE, coupled with the Microball charged-particle detector, has made possible a new class of nuclear lifetime measurement. For the first time differential lifetime measurements free from common systematic errors for over 15 different nuclei (>30 rotational bands in various isotopes of Ce, Pr, Nd, Pm, and Sm) have been extracted at high spin within a single experiment. This comprehensive study establishes the effective single-particle transition quadrupole moments in the A∼135 light rare-earth region. Detailed comparisons are made with theoretical calculations using the self-consistent cranked mean-field theory which convincingly demonstrates the validity of the additivity of single-particle quadrupole moments in this mass region

Mechanisms of interaction of monochromatic visible light with cells

Science.gov (United States)

Karu, Tiina I.

1996-01-01

Biological responses of cells to visible and near IR (laser) radiation occur due to physical and/or chemical changes in photoacceptor molecules, components of respiratory chains (cyt a/a3 in mitochondria). As a result of the photoexcitation of electronic states, the following physical and/or chemical changes can occur: alteration of redox properties and acceleration of electron transfer, changes in biochemical activity due to local transient heating of chromophores, one-electron auto-oxidation and O'2- production, and photodynamic action and 1O2 production. Different reaction channels can be activated to achieve the photobiological macroeffect. The primary physical and/or chemical changes induced by light in photoacceptor molecules are followed by a cascade of biochemical reactions in the cell that do not need further light activation and occur in the dark (photosignal transduction and amplification chains). These reactions are connected with changes in cellular homeostasis parameters. The crucial step here is thought to be an alteration of the cellular redox state: a shift towards oxidation is associated with stimulation of cellular vitality, and a shift towards reduction is linked to inhibition. Cells with a lower than normal pH, where the redox state is shifted in the reduced direction, are considered to be more sensitive to the stimulative action of light than those with the respective parameters being optimal or near optimal. This circumstance explains the possible variations in observed magnitudes of low- power laser effects. Light action on the redox state of a cell via the respiratory chain also explains the diversity of low-power laser effects. Besides explaining many controversies in the field of low-power laser effects (i.e., the diversity of effects, the variable magnitude or absence of effects in certain studies), the proposed redox-regulation mechanism may be a fundamental explanation for some clinical effects of irradiation, for example the positive

Superconducting Panofsky quadrupoles

International Nuclear Information System (INIS)

Harwood, L.H.

1981-01-01

A design for a rectangular aperture quadrupole magnet without pole-tips was introduced by Hand and Panofsky in 1959. This design was quite radical but simple to construct. Few magnets of this design were ever built because of the large power needed. With the advent of superconducting coils there has been a renewed interest in them. The mathematical basis, field characteristics, and present and future construction of these magnets are described

Synthesis, X-ray Structure, Optical, and Electrochemical Properties of a White-Light-Emitting Molecule

Directory of Open Access Journals (Sweden)

Jiun-Wei Hu

2016-01-01

Full Text Available A new white-light-emitting molecule (1 was synthesized and characterized by NMR spectroscopy, high resolution mass spectrometry, and single-crystal X-ray diffraction. Compound 1 crystallizes in the orthorhombic space group Pnma, with a = 12.6814(6, b = 7.0824(4, c = 17.4628(9 Å, α = 90°, β = 90°, γ = 90°. In the crystal, molecules are linked by weak intermolecular C-H···O hydrogen bonds, forming an infinite chain along [100], generating a C(10 motif. Compound 1 possesses an intramolecular six-membered-ring hydrogen bond, from which excited-state intramolecular proton transfer (ESIPT takes place from the phenolic proton to the carbonyl oxygen, resulting in a tautomer that is in equilibrium with the normal species, exhibiting a dual emission that covers almost all of the visible spectrum and consequently generates white light. It exhibits one irreversible one-electron oxidation and two irreversible one-electron reductions in dichloromethane at modest potentials. Furthermore, the geometric structures, frontier molecular orbitals (MOs, and the potential energy curves (PECs for 1 in the ground and the first singlet excited state were fully rationalized by density functional theory (DFT and time-dependent DFT calculations. The results demonstrate that the forward and backward ESIPT may happen on a similar timescale, enabling the excited-state equilibrium to be established.

Cryogenic buffer-gas loading and magnetic trapping of CrH and MnH molecules

NARCIS (Netherlands)

Stoll, M.; Bakker, J. M.; Steimle, T. C.; Meijer, G.; Peters, A.

2008-01-01

We report on the buffer- gas cooling and trapping of CrH and MnH molecules in a magnetic quadrupole trap with densities on the order of 10(6) cm(-3) at a temperature of 650 mK. Storage times of up to 180 ms have been observed, corresponding to a 20- fold lifetime enhancement with respect to the

Quadrupole photoionization of endohedral Xe-C60

International Nuclear Information System (INIS)

Govil, Karan; Deshmukh, P C

2009-01-01

The effect of an endohedral confinement on the quadrupole photoionization of atomic Xe is studied using the relativistic random phase approximation (RRPA). The atom's confinement is modelled by placing atomic Xe at the centre of a C 60 cage represented by an annular potential around it. A new confinement resonance is reported in the 4p quadrupole cross-section along with 'correlation confinement resonances' in 4d, 5s and 5p photoionizations at about 185 eV. The effect of the confinement on the non-dipole photoelectron angular distribution parameter γ is also reported.

High and ulta-high gradient quadrupole magnets

International Nuclear Information System (INIS)

Brunk, W.O.; Walz, D.R.

1985-05-01

Small bore conventional dc quadrupoles with apertures from 1 to 2.578cm were designed and prototypes built and measured. New fabrication techniques including the use of wire electric discharge milling (EDM) to economically generate the pole tip contours and aperture tolerances are described. Magnetic measurement data from a prototype of a 1cm aperture quadrupole with possible use in future e + /e - super colliders are presented. At a current of 400A, the lens achieved a gradient of 2.475 T/cm, and had an efficiency of 76.6%

Quadrupole formula for Kaluza-Klein modes in the braneworld

International Nuclear Information System (INIS)

Kinoshita, Shunichiro; Kudoh, Hideaki; Sendouda, Yuuiti; Sato, Katsuhiko

2005-01-01

The quadrupole formula in four-dimensional Einstein gravity is a useful tool to describe gravitational wave radiation. We derive the quadrupole formula for the Kaluza-Klein (KK) modes in the Randall-Sundrum braneworld model. The quadrupole formula provides a transparent representation of the exterior weak gravitational field induced by localized sources. We find that a general isolated dynamical source gives rise to the 1/r 2 correction to the leading 1/r gravitational field. We apply the formula to an evaluation of the effective energy carried by the KK modes from the viewpoint of an observer on the brane. Contrary to the ordinary gravitational waves (zero mode), the flux of the induced KK modes by the non-spherical part of the quadrupole moment vanishes at infinity and only the spherical part contributes to the flux. Since the effect of the KK modes appears in the linear order of the metric perturbations, the effective energy flux observed on the brane is not always positive, but can become negative depending on the motion of the localized sources

Sensitivity of (α,α') cross sections to excited-state quadrupole moments

International Nuclear Information System (INIS)

Baker, F.T.; Scott, A.; Ronningen, R.M.; Hamilton, J.H.; Kruse, T.H.; Suchannek, R.; Savin, W.

1977-01-01

Inelastic α particle scattering at 21 and 24 MeV has been used to estimate the electric quadrupole moment of the second 2 + state in 180 Hf. Sensitivity to the assumed quadrupole moment is due almost entirely to reorientation via the nuclear force. Results suggest that the technique may be a useful method of estimating excited state quadrupole moments, particularly for states with high excitation energies or with J greater than 2

Optimization of an electrostatic quadrupole doublet focusing systems

Energy Technology Data Exchange (ETDEWEB)

Hussein, Oday A., E-mail: oah@sc.nahrainuniv.edu.iq [Department of Physics, College of Science, Al-Nahrain University, Baghdad (Iraq); Sise, Omer [Department of Science Education, Faculty of Education, Suleyman Demirel University, Isparta (Turkey)

2017-05-15

Highlights: • The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. • The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. • The imaging properties of are very sensitive to the lunching angle of the electron-beam. - Abstract: The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. The optical properties as: Magnifications, spot sizes in the image plane and aberration figures were discussed. The results showed that the focusing of the lens was strong in the xy-plane in comparison with the focusing in the xz-plane. The distortion of the image was greater when the image position will be close to the lens in comparison with object position. Also, the imaging properties were very sensitive to the lunching angle of the electron-beam.

Role of Dispersive Fluorous Interaction in the Solvation Dynamics of the Perfluoro Group Containing Molecules.

Science.gov (United States)

Mondal, Saptarsi; Chaterjee, Soumit; Halder, Ritaban; Jana, Biman; Singh, Prashant Chandra

2017-08-17

Perfluoro group containing molecules possess an important self-aggregation property through the fluorous (F···F) interaction which makes them useful for diverse applications such as medicinal chemistry, separation techniques, polymer technology, and biology. In this article, we have investigated the solvation dynamics of coumarin-153 (C153) and coumarin-6H (C6H) in ethanol (ETH), 2-fluoroethanol (MFE), and 2,2,2-trifluoroethanol (TFE) using the femtosecond upconversion technique and molecular dynamics (MD) simulation to understand the role of fluorous interaction between the solute and solvent molecules in the solvation dynamics of perfluoro group containing molecules. The femtosecond upconversion data show that the time scales of solvation dynamics of C6H in ETH, MFE, and TFE are approximately the same whereas the solvation dynamics of C153 in TFE is slow as compared to that of ETH and MFE. It has also been observed that the time scale of solvation dynamics of C6H in ETH and MFE is higher than that of C153 in the same solvents. MD simulation results show a qualitative agreement with the experimental data in terms of the time scale of the slow components of the solvation for all the systems. The experimental and simulation studies combined lead to the conclusion that the solvation dynamics of C6H in all solvents as well as C153 in ETH and MFE is mostly governed by the charge distribution of ester moieties (C═O and O) of dye molecules whereas the solvation of C153 in TFE is predominantly due to the dispersive fluorous interaction (F···F) between the perfluoro groups of the C153 and solvent molecules.

Photon-counting single-molecule spectroscopy for studying conformational dynamics and macromolecular interactions

Energy Technology Data Exchange (ETDEWEB)

Laurence, Ted Alfred [Univ. of California, Berkeley, CA (United States)

2002-01-01

Single-molecule methods have the potential to provide information about conformational dynamics and molecular interactions that cannot be obtained by other methods. Removal of ensemble averaging provides several benefits, including the ability to detect heterogeneous populations and the ability to observe asynchronous reactions. Single-molecule diffusion methodologies using fluorescence resonance energy transfer (FRET) are developed to monitor conformational dynamics while minimizing perturbations introduced by interactions between molecules and surfaces. These methods are used to perform studies of the folding of Chymotrypsin Inhibitor 2, a small, single-domain protein, and of single-stranded DNA (ssDNA) homopolymers. Confocal microscopy is used in combination with sensitive detectors to detect bursts of photons from fluorescently labeled biomolecules as they diffuse through the focal volume. These bursts are analyzed to extract fluorescence resonance energy transfer (FRET) efficiency. Advances in data acquisition and analysis techniques that are providing a more complete picture of the accessible molecular information are discussed. Photon Arrival-time Interval Distribution (PAID) analysis is a new method for monitoring macromolecular interactions by fluorescence detection with simultaneous determination of coincidence, brightness, diffusion time, and occupancy (proportional to concentration) of fluorescently-labeled molecules undergoing diffusion in a confocal detection volume. This method is based on recording the time of arrival of all detected photons, and then plotting the two-dimensional histogram of photon pairs, where one axis is the time interval between each pair of photons 1 and 2, and the second axis is the number of other photons detected in the time interval between photons 1 and 2. PAID is related to Fluorescence Correlation Spectroscopy (FCS) by a collapse of this histogram onto the time interval axis. PAID extends auto- and cross-correlation FCS

Photon-counting single-molecule spectroscopy for studying conformational dynamics and macromolecular interactions

International Nuclear Information System (INIS)

Laurence, Ted Alfred

2002-01-01

Single-molecule methods have the potential to provide information about conformational dynamics and molecular interactions that cannot be obtained by other methods. Removal of ensemble averaging provides several benefits, including the ability to detect heterogeneous populations and the ability to observe asynchronous reactions. Single-molecule diffusion methodologies using fluorescence resonance energy transfer (FRET) are developed to monitor conformational dynamics while minimizing perturbations introduced by interactions between molecules and surfaces. These methods are used to perform studies of the folding of Chymotrypsin Inhibitor 2, a small, single-domain protein, and of single-stranded DNA (ssDNA) homopolymers. Confocal microscopy is used in combination with sensitive detectors to detect bursts of photons from fluorescently labeled biomolecules as they diffuse through the focal volume. These bursts are analyzed to extract fluorescence resonance energy transfer (FRET) efficiency. Advances in data acquisition and analysis techniques that are providing a more complete picture of the accessible molecular information are discussed. Photon Arrival-time Interval Distribution (PAID) analysis is a new method for monitoring macromolecular interactions by fluorescence detection with simultaneous determination of coincidence, brightness, diffusion time, and occupancy (proportional to concentration) of fluorescently-labeled molecules undergoing diffusion in a confocal detection volume. This method is based on recording the time of arrival of all detected photons, and then plotting the two-dimensional histogram of photon pairs, where one axis is the time interval between each pair of photons 1 and 2, and the second axis is the number of other photons detected in the time interval between photons 1 and 2. PAID is related to Fluorescence Correlation Spectroscopy (FCS) by a collapse of this histogram onto the time interval axis. PAID extends auto- and cross-correlation FCS

Design of the 70 mm twin aperture superconducting quadrupole for the LHC dump insertion

CERN Document Server

Kirby, G A; Taylor, T M; Trinquart, G

1996-01-01

The LHC dump insertion features a pair of superconducting quadrupoles located on either side of a 340 m long straight section. Two horizontally deflecting kickers, located in between the quadrupole pairs, and a septum in the centre of the insertion, vertically deflect the two counter-rotating beams past the quadrupoles on the downstream sides, and into the dump areas. Due to the layout, the optical ß function in the quadrupoles is around 640 m, the largest around the LHC at injection. The quadrupoles must therefore have enlarged aperture and specially designed cryostats to allow for the safe passage of both the circulating and ejected beams. In this paper we present the design of the twin aperture dump quadrupole based on the 70 mm four layer coil proposed for the LHC low-ß quadrupoles. In preparation for model construction, we report on improvements of the coil design and a study of the retaining structures.

High-intensity X-rays interaction with matter processes in plasmas, clusters, molecules and solids

CERN Document Server

Hau-Riege, Stefan P

2012-01-01

Filling the need for a book bridging the effect of matter on X-ray radiation and the interaction of x-rays with plasmas, this monograph provides comprehensive coverage of the topic. As such, it presents and explains such powerful new X-ray sources as X-ray free-electron lasers, as well as short pulse interactions with solids, clusters, molecules, and plasmas, and X-ray matter interactions as a diagnostic tool. Equally useful for researchers and practitioners working in the field.

Fiat Lux, Let There Be Light!

Science.gov (United States)

Mather, John C.

2015-01-01

Most of us think of light as helping us see things, but it is so much more important than that. Light is electromagnetic energy moving in waves through space, interacting with atoms and molecules as it goes. So are radio waves, microwaves, infrared light, ultraviolet, x-rays and gamma rays - all of them are electromagnetic energy, and the only real difference is the spacing between the wave crests. So light gives us communications with each other with radio and TV, and it gives us the ability to travel through the universe using telescopes and our imagination. But light also gives us access to scientific questions, such as: what holds the atoms and molecules together? How does the mysterious quantum mechanics work? And understanding all these, how can we build electronic devices for modern life? And if we are very ambitious, we build accelerators like the Large Hadron Collider, and particles collide and concentrate electromagnetic energy into tiny spaces, and according to Einstein's E equals mc squared, we turn energy into new particles to learn, perhaps what the universe was like when it was a tiny fraction of a second old.

CESAR, 2 MeV electron storage ring; construction period; quadrupole.

CERN Multimedia

Service Photo; CERN PhotoLab

1962-01-01

One of the 24 quadrupoles. They were made of massive (non-laminated) soft iron, which at the low field-strength (35 G on the pole-tips) presented problems. Later they were fitted with shims on all 4 poles, to correct the quadrupole and sextupole components.

Excitation of giant monopole and quadrupole resonances

Energy Technology Data Exchange (ETDEWEB)

Ogata, H. [Osaka Univ., Suita (Japan). Research Center for Nuclear Physics; Yamagata, T.; Tanaka, M. [and others; Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

1980-01-01

Recent studies on the giant monopole resonance (GMR) and the giant quadrupole resonance (GQR) in /sup 144/Sm and /sup 208/Pb using the ..cap alpha..-scattering performed at RCNP are summarized. The observed angular range covered 1.6/sup 0/ -- 7/sup 0/ with a coupled system of a dipole and a triplet quadrupole magnet. The incident energy was changed from 84 to 119 MeV. The resonance shapes and energy-weighted sum-rule strengths of the GMR and the GQR were reliably deduced as a function of incident energy. The quadrupole strength of --20% was found in the GMR region. The observed excitation function of the GMR was compared with the DWBA calculation, in which the Satchler's Version I was used as a form factor representing the compressional motion of the nucleus. It was found that the experimental excitation function of the GMR shows steeper decrease as lowering the incident energy than the DWBA prediction whereas that of the GQR is successfully described by the DWBA. This suggests that examination of the model describing the GMR is necessary.

The 1.5 post-Newtonian radiative quadrupole moment in the context of a nonlocal field theory of gravity

Science.gov (United States)

Dirkes, Alain

2018-04-01

We recently suggested a nonlocal modification of Einstein’s field equations in which Newton’s constant G was promoted to a covariant differential operator G_Λ(\\Box_g) . The latter contains two independent contributions which operate respectively in the infrared (IR) and ultraviolet (UV) energy regimes. In the light of the recent direct gravitational radiation measurements we aim to determine the UV-modified 1.5 post-Newtonian radiative quadrupole moment of a generic n-body system. We eventually use these preliminary results in the context of a binary system and observe that in the limit vanishing UV parameters we precisely recover the corresponding general relativistic results. Moreover we notice that the leading order deviation of the UV-modified radiative quadrupole moment numerically coincides with findings obtained in the framework of calculations performed previously in the context of the perihelion precession of Mercury.

Permanent quadrupole magnets

International Nuclear Information System (INIS)

Bush, E.D. Jr.

1976-01-01

A family of quadrupole magnets using a soft iron return yoke and circular cross-section permanent magnet poles were fabricated to investigate the feasibility for use in ion or electron beam focusing applications in accelerators and transport lines. Magnetic field measurements yielded promising results. In fixed-field applications, permanent magnets with sufficient gradients would be a low cost substitute for conventional electromagnets, eliminating the need for power supplies, associated wiring, and cooling. (author)

Summary of Test Results of MQXFS1 - The First Short Model 150 mm Aperture $Nb_3Sn$ Quadrupole for the High-Luminosity

Energy Technology Data Exchange (ETDEWEB)

Stoynev, S.; et al.

2017-01-01

The development of $Nb_3Sn$ quadrupole magnets for the High-Luminosity LHC upgrade is a joint venture between the US LHC Accelerator Research Program (LARP)* and CERN with the goal of fabricating large aperture quadrupoles for the LHC in-teraction regions (IR). The inner triplet (low-β) NbTi quadrupoles in the IR will be replaced by the stronger Nb3Sn magnets boosting the LHC program of having 10-fold increase in integrated luminos-ity after the foreseen upgrades. Previously LARP conducted suc-cessful tests of short and long models with up to 120 mm aperture. The first short 150 mm aperture quadrupole model MQXFS1 was assembled with coils fabricated by both CERN and LARP. The magnet demonstrated strong performance at the Fermilab’s verti-cal magnet test facility reaching the LHC operating limits. This paper reports the latest results from MQXFS1 tests with changed pre-stress levels. The overall magnet performance, including quench training and memory, ramp rate and temperature depend-ence, is also summarized.

Single Molecule Science for Personalized Nanomedicine: Atomic Force Microscopy of Biopolymer-Protein Interactions

Science.gov (United States)

Hsueh, Carlin

Nanotechnology has a unique and relatively untapped utility in the fields of medicine and dentistry at the level of single-biopolymer and -molecule diagnostics. In recent years atomic force microscopy (AFM) has garnered much interest due to its ability to obtain atomic-resolution of molecular structures and probe biophysical behaviors of biopolymers and proteins in a variety of biologically significant environments. The work presented in this thesis focuses on the nanoscale manipulation and observation of biopolymers to develop an innovative technology for personalized medicine while understanding complex biological systems. These studies described here primarily use AFM to observe biopolymer interactions with proteins and its surroundings with unprecedented resolution, providing a better understanding of these systems and interactions at the nanoscale. Transcriptional profiling, the measure of messenger RNA (mRNA) abundance in a single cell, is a powerful technique that detects "behavior" or "symptoms" at the tissue and cellular level. We have sought to develop an alternative approach, using our expertise in AFM and single molecule nanotechnology, to achieve a cost-effective high throughput method for sensitive detection and profiling of subtle changes in transcript abundance. The technique does not require amplification of the mRNA sample because the AFM provides three-dimensional views of molecules with unprecedented resolution, requires minimal sample preparation, and utilizes a simple tagging chemistry on cDNA molecules. AFM images showed collagen polymers in teeth and of Drebrin-A remodeling of filamentous actin structure and mechanics. AFM was used to image collagen on exposed dentine tubules and confirmed tubule occlusion with a desensitizing prophylaxis paste by Colgate-Palmolive. The AFM also superseded other microscopy tools in resolving F-actin helix remodeling and possible cooperative binding by a neuronal actin binding protein---Drebrin-A, an

Photophoretic trampoline—Interaction of single airborne absorbing droplets with light

Science.gov (United States)

Esseling, Michael; Rose, Patrick; Alpmann, Christina; Denz, Cornelia

2012-09-01

We present the light-induced manipulation of absorbing liquid droplets in air. Ink droplets from a printer cartridge are used to demonstrate that absorbing liquids—just like their solid counterparts—can interact with regions of high light intensity due to the photophoretic force. It is shown that droplets follow a quasi-ballistic trajectory after bouncing off a high intensity light sheet. We estimate the intensities necessary for this rebound of airborne droplets and change the droplet trajectories through a variation of the manipulating light field.

Light-cone quantization and hadron structure

International Nuclear Information System (INIS)

Brodsky, S.J.

1996-04-01

Quantum chromodynamics provides a fundamental description of hadronic and nuclear structure and dynamics in terms of elementary quark and gluon degrees of freedom. In practice, the direct application of QCD to reactions involving the structure of hadrons is extremely complex because of the interplay of nonperturbative effects such as color confinement and multi-quark coherence. In this talk, the author will discuss light-cone quantization and the light-cone Fock expansion as a tractable and consistent representation of relativistic many-body systems and bound states in quantum field theory. The Fock state representation in QCD includes all quantum fluctuations of the hadron wavefunction, including fax off-shell configurations such as intrinsic strangeness and charm and, in the case of nuclei, hidden color. The Fock state components of the hadron with small transverse size, which dominate hard exclusive reactions, have small color dipole moments and thus diminished hadronic interactions. Thus QCD predicts minimal absorptive corrections, i.e., color transparency for quasi-elastic exclusive reactions in nuclear targets at large momentum transfer. In other applications, such as the calculation of the axial, magnetic, and quadrupole moments of light nuclei, the QCD relativistic Fock state description provides new insights which go well beyond the usual assumptions of traditional hadronic and nuclear physics

X-ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser

DEFF Research Database (Denmark)

Küpper, Jochen; Stern, Stephan; Holmegaard, Lotte

2014-01-01

We report experimental results on x-ray diffraction of quantum-state-selected and strongly aligned ensembles of the prototypical asymmetric rotor molecule 2,5-diiodobenzonitrile using the Linac Coherent Light Source. The experiments demonstrate first steps toward a new approach to diffractive...... imaging of distinct structures of individual, isolated gas-phase molecules. We confirm several key ingredients of single molecule diffraction experiments: the abilities to detect and count individual scattered x-ray photons in single shot diffraction data, to deliver state-selected, e. g., structural......-isomer-selected, ensembles of molecules to the x-ray interaction volume, and to strongly align the scattering molecules. Our approach, using ultrashort x-ray pulses, is suitable to study ultrafast dynamics of isolated molecules....

Fundamentals of fluorescence microscopy exploring life with light

CERN Document Server

Mondal, Partha Pratim

2014-01-01

This book starts at an introductory level and leads reader to the most advanced developments in fluorescence imaging and super-resolution techniques that have enabled the emergence of new disciplines such as nanobioimaging, multiphoton microscopy, photodynamic therapy, nanometrology and nanosensors. The interdisciplinary subject of fluorescence microscopy and imaging requires complete knowledge of imaging optics and molecular physics. So, this book approaches the subject by introducing optical imaging concepts before going deep into the advanced imaging systems and their applications. Molecular orbital theory forms the basis for understanding fluorescent molecules and thereby facilitates complete explanation of light-matter interaction at the geometrical focus. The two disciplines have some overlap since light controls the states of molecules and conversely, molecular states control the emitted light. These two mechanisms together determine essential fluorescence  factors and phenomena such as, molecular cro...

Topology of the interactions pattern in pharmaceutically relevant polymorphs of methylxanthines (caffeine, theobromine, and theophiline): combined experimental (¹H-¹⁴N nuclear quadrupole double resonance) and computational (DFT and Hirshfeld-based) study.

Science.gov (United States)

Latosińska, Jolanta Natalia; Latosińska, Magdalena; Olejniczak, Grzegorz A; Seliger, Janez; Žagar, Veselko

2014-09-22

Three anhydrous methylxanthines: caffeine (1,3,7-trimethylxanthine; 1,3,7-trimethyl-1H-purine-2,6-(3H,7H)-dione) and its two metabolites theophylline (1,3-dimethylxanthine; 1,3-dimethyl-7H-purine-2,6-dione) and theobromine (3,7-dimethyl-xanthine; 3,7-dimethyl-7H-purine-2,6-dione), which reveal multifaceted therapeutic potential, have been studied experimentally in solid state by (1)H-(14)N NMR-NQR (nuclear magnetic resonance-nuclear quadrupole resonance) double resonance (NQDR). For each compound the complete NQR spectrum consisting of 12 lines was recorded. The multiplicity of NQR lines indicates the presence of a stable β form of anhydrous caffeine at 233 K and stable form II of anhydrous theobromine at 213 K. The assignment of signals detected in NQR experiment to particular nitrogen atoms was made on the basis of quantum chemistry calculations performed for monomer, cluster, and solid at the DFT/GGA/BLYP/DPD level. The shifts due to crystal packing interactions were evaluated, and the multiplets detected by NQR were assigned to N(9) in theobromine and N(1) and N(9) in caffeine. The ordering theobromine > theophylline > caffeine site and theophylline theobromine theobromine) to π···π stacking (caffeine). Substantial differences in the intermolecular interactions in stable forms of methylxanthines differing in methylation (site or number) were analyzed within the Hirshfeld surface-based approach. The analysis of local environment of the nitrogen nucleus permitted drawing some conclusions on the nature of the interactions required for effective processes of recognition and binding of a given methylxanthine to A1-A(2A) receptor (target for caffeine in the brain). Although the interactions responsible for linking neighboring methylxanthines molecules in crystals and methylxanthines with targets in the human organism can differ significantly, the knowledge of the topology of interactions provides reliable preliminary information about the nature of this binding.

Spin-interaction effects for ultralong-range Rydberg molecules in a magnetic field

Science.gov (United States)

Hummel, Frederic; Fey, Christian; Schmelcher, Peter

2018-04-01

We investigate the fine and spin structure of ultralong-range Rydberg molecules exposed to a homogeneous magnetic field. Each molecule consists of a 87Rb Rydberg atom the outer electron of which interacts via spin-dependent s - and p -wave scattering with a polarizable 87Rb ground-state atom. Our model includes also the hyperfine structure of the ground-state atom as well as spin-orbit couplings of the Rydberg and ground-state atom. We focus on d -Rydberg states and principal quantum numbers n in the vicinity of 40. The electronic structure and vibrational states are determined in the framework of the Born-Oppenheimer approximation for varying field strengths ranging from a few up to hundred Gauss. The results show that the interplay between the scattering interactions and the spin couplings gives rise to a large variety of molecular states in different spin configurations as well as in different spatial arrangements that can be tuned by the magnetic field. This includes relatively regularly shaped energy surfaces in a regime where the Zeeman splitting is large compared to the scattering interaction but small compared to the Rydberg fine structure, as well as more complex structures for both weaker and stronger fields. We quantify the impact of spin couplings by comparing the extended theory to a spin-independent model.

Energy transfer dynamics from individual semiconductor nanoantennae to dye molecules with implication to light-harvesting nanosystems

Science.gov (United States)

Shan, Guangcun; Hu, Mingjun; Yan, Ze; Li, Xin; Huang, Wei

2018-03-01

Semiconductor nanocrystals can be used as nanoscale optical antennae to photoexcite individual dye molecules in an ensemble via energy transfer mechanism. The theoretical framework developed by Förster and others describes how electronic excitation migrates in the photosynthetic apparatus of plants, algae, and bacteria from light absorbing pigments to reaction centers where light energy is utilized for the eventual conversion into chemical energy. Herein we investigate the effect of the average donor-acceptor spacing on the time-resolved fluorescence intensity and dynamics of single donor-acceptor pairs with the dye acceptor concentration decreasing by using quantum Monte-Carlo simulation of FRET dynamics. Our results validated that the spatial disorder controlling the microscopic energy transfer rates accounts for the scatter in donor fluorescence lifetimes and intensities, which provides a new design guideline for artificial light-harvesting nanosystems.

Strong light-matter interaction in graphene - Invited talk

DEFF Research Database (Denmark)

Xiao, Sanshui

Graphene has attracted lots of attention due to its remarkable electronic and optical properties, thus providing great promise in photonics and optoelectronics. However, the performance of these devices is generally limited by the weak light-matter interaction in graphene. The combination...

Light ions and ozone - generation and interactions with living organisms

International Nuclear Information System (INIS)

Kriha, V.; Aubrecht, L.

2005-01-01

With directly in the living organism born ions exception, LNI coming through three phases: ionisation, attachment by the electronegative molecules and the clusters formation due to local electrostatic interactions. The quantitative analysis of physical parameters leads to conclusion that we cannot find any physical property (till known) explaining the positive affect of LNI on living organisms. Analysis of possible mechanism produces several hypotheses of LNI-organism interaction. A simplified semi-quantitative model of respiratory tract was developed for estimation of ions and ozone interaction with living organisms. A formation of oxygen radicals and products of their chain-reactions in intrinsic conditions is discussed

Light in Condensed Matter in the Upper Atmosphere as the Origin of Homochirality: Circularly Polarized Light from Rydberg Matter

Science.gov (United States)

Holmlid, Leif

2009-08-01

Clouds of the condensed excited Rydberg matter (RM) exist in the atmospheres of comets and planetary bodies (most easily observed at Mercury and the Moon), where they surround the entire bodies. Vast such clouds are recently proposed to exist in the upper atmosphere of Earth (giving rise to the enormous features called noctilucent clouds, polar mesospheric clouds, and polar mesospheric summer radar echoes). It has been shown in experiments with RM that linearly polarized visible light scattered from an RM layer is transformed to circularly polarized light with a probability of approximately 50%. The circular Rydberg electrons in the magnetic field in the RM may be chiral scatterers. The magnetic and anisotropic RM medium acts as a circular polarizer probably by delaying one of the perpendicular components of the light wave. The delay process involved is called Rabi-flopping and gives delays of the order of femtoseconds. This strong effect thus gives intense circularly polarized visible and UV light within RM clouds. Amino acids and other chiral molecules will experience a strong interaction with this light field in the upper atmospheres of planets. The interaction will vary with the stereogenic conformation of the molecules and in all probability promote the survival of one enantiomer. Here, this strong effect is proposed to be the origin of homochirality. The formation of amino acids in the RM clouds is probably facilitated by the catalytic effect of RM.

Light in condensed matter in the upper atmosphere as the origin of homochirality: circularly polarized light from Rydberg matter.

Science.gov (United States)

Holmlid, Leif

2009-01-01

Clouds of the condensed excited Rydberg matter (RM) exist in the atmospheres of comets and planetary bodies (most easily observed at Mercury and the Moon), where they surround the entire bodies. Vast such clouds are recently proposed to exist in the upper atmosphere of Earth (giving rise to the enormous features called noctilucent clouds, polar mesospheric clouds, and polar mesospheric summer radar echoes). It has been shown in experiments with RM that linearly polarized visible light scattered from an RM layer is transformed to circularly polarized light with a probability of approximately 50%. The circular Rydberg electrons in the magnetic field in the RM may be chiral scatterers. The magnetic and anisotropic RM medium acts as a circular polarizer probably by delaying one of the perpendicular components of the light wave. The delay process involved is called Rabi-flopping and gives delays of the order of femtoseconds. This strong effect thus gives intense circularly polarized visible and UV light within RM clouds. Amino acids and other chiral molecules will experience a strong interaction with this light field in the upper atmospheres of planets. The interaction will vary with the stereogenic conformation of the molecules and in all probability promote the survival of one enantiomer. Here, this strong effect is proposed to be the origin of homochirality. The formation of amino acids in the RM clouds is probably facilitated by the catalytic effect of RM.

Controlling coulomb interactions in infrared stereometamaterials for unity light absorption

Science.gov (United States)

Mudachathi, Renilkumar; Moritake, Yuto; Tanaka, Takuo

2018-05-01

We investigate the influence of near field interactions between the constituent 3D split ring resonators on the absorbance and resonance frequency of a stereo metamaterial based perfect light absorber. The experimental and theoretical analyses reveal that the magnetic resonance red shifts and broadens for both the decreasing vertical and lateral separations of the constituents within the metamaterial lattice, analogous to plasmon hybridization. The strong interparticle interactions for higher density reduce the effective cross-section per resonator, which results in weak light absorption observed in both experimental and theoretical analyses. The red shift of the magnetic resonance with increasing lattice density is an indication of the dominating electric dipole interactions and we analyzed the metamaterial system in an electrostatic point of view to explain the observed resonance shift and decreasing absorption peak. From these analyses, we found that the fill factor introduces two competing factors determining the absorption efficiency such as coulomb interactions between the constituent resonators and their number density in a given array structure. We predicted unity light absorption for a fill factor of 0.17 balancing these two opposing factors and demonstrate an experimental absorbance of 99.5% at resonance with our 3D device realized using residual stress induced bending of 2D patterns.

Comparison of conventional and novel quadrupole drift tube magnets inspired by Klaus Halbach

Energy Technology Data Exchange (ETDEWEB)

Feinberg, B. [Lawrence Berkeley Lab., CA (United States)

1995-02-01

Quadrupole drift tube magnets for a heavy-ion linac provide a demanding application of magnet technology. A comparison is made of three different solutions to the problem of providing an adjustable high-field-strength quadrupole magnet in a small volume. A conventional tape-wound electromagnet quadrupole magnet (conventional) is compared with an adjustable permanent-magnet/iron quadrupole magnet (hybrid) and a laced permanent-magnet/iron/electromagnet (laced). Data is presented from magnets constructed for the SuperHILAC heavy-ion linear accelerator, and conclusions are drawn for various applications.

Interaction of a quantum well with squeezed light: Quantum-statistical properties

International Nuclear Information System (INIS)

Sete, Eyob A.; Eleuch, H.

2010-01-01

We investigate the quantum statistical properties of the light emitted by a quantum well interacting with squeezed light from a degenerate subthreshold optical parametric oscillator. We obtain analytical solutions for the pertinent quantum Langevin equations in the strong-coupling and low-excitation regimes. Using these solutions we calculate the intensity spectrum, autocorrelation function, and quadrature squeezing for the fluorescent light. We show that the fluorescent light exhibits bunching and quadrature squeezing. We also show that the squeezed light leads to narrowing of the width of the spectrum of the fluorescent light.

Dynamical quadrupole structure factor of frustrated ferromagnetic chain

Science.gov (United States)

Onishi, Hiroaki

2018-05-01

We investigate the dynamical quadrupole structure factor of a spin-1/2 J1-J2 Heisenberg chain with competing ferromagnetic J1 and antiferromagnetic J2 in a magnetic field by exploiting density-matrix renormalization group techniques. In a field-induced spin nematic regime, we observe gapless excitations at q = π according to quasi-long-range antiferro-quadrupole correlations. The gapless excitation mode has a quadratic form at the saturation, while it changes into a linear dispersion as the magnetization decreases.

Status of Long Coil Production for the MQXFB Nb3Sn Prototype Quadrupole for the HiLumi LHC

Energy Technology Data Exchange (ETDEWEB)

Lackner, Friedrich; Ferracin, Paolo; Todesco, Ezio; Triquet, Stephan; Pozzobon, Marc; Luzieux, S.; Perez, J. C.; Scheuerlein, Christian; Cavanna, Eugenio; Ohnweiler, Timm; Revilak, Philipp; Genestier, Thibault; Principe, Rosario; Prin, Herve; Duret, Max; Savary, Frederic

2017-01-01

The High luminosity LHC upgrade target is to increase the integrated luminosity by a factor 10, resulting in an integrated luminosity of 3000 fb-1. One major improvement foreseen is the reduction of the beam size at the collision points. This requires the development of 150 mm single aperture quadrupoles for the interaction regions. These quadrupoles are under development in a joint collaboration between CERN and the US-LHC Accelerator Research Program (LARP). The chosen approach for achieving a nominal quadrupole field gradient of 132.6 T/m is based on the Nb3Sn technology. The coils with a length of 7281 mm will be the longest Nb3Sn coils fabricated so far for accelerator magnets. The production of the long coils was launched in 2016 based on practise coils made from copper. This paper provides a status of the production of the first low grade and full performance coils and describes the production process and applied quality control. Furthermore an outlook for the prototype assembly is provided.

Light-material interactions in laser material processing

International Nuclear Information System (INIS)

Chiang, S.; Albright, C.E.

1989-01-01

The authors discusses how light interactions with materials in laser material processing operations occur by a variety of mechanisms depending on the material being processed, the wavelength of the laser light, the gaseous environment, and the physical state of the material surface. The high reflectivity of metals limits the fraction of the beam power absorbed by the solid metal surface. For metals in the solid state, reflectivity increases as the wavelength of the laser light and the electrical conductivity of the metal increase. The reflectivity of metals is reduced upon heating to the melting point, and further reduced upon melting. At high power densities the liquid metal surface is heated so quickly that very rapid vaporization occurs. The recoil force produced by the evaporation causes a depression in the liquid/vapor interface. The keyhole resulting from this depression allows for multiple reflections and thus increases beam absorption in the liquid

Quadrupole moment of the superdeformed band in 131Ce

International Nuclear Information System (INIS)

He, Y.; Godfrey, M.J.; Jenkins, I.; Kirwan, A.J.; Nolan, P.J.

1990-01-01

A mean lifetime measurement has been carried out on the states in the superdeformed band found in 131 Ce using the Doppler shift attenuation method (DSAM). The measured intrinsic nuclear quadrupole moment is Q o approx= 6 eb, assuming constant deformation, which corresponds to a quadrupole deformation β 2 approx= 0.35. This is considerably smaller than the value deduced for 132 Ce. (author)

Computation of a quadrupole magnet for the APS storage ring

Energy Technology Data Exchange (ETDEWEB)

Turner, L.R.; Kim, S.H.; Thompson, K.M.

1990-01-01

The storage ring of the Advanced Photon Source will include 400 quadrupole magnets for focusing the beam. A prototype quadrupole has been designed, constructed, and measured. This paper describes the two- and three-dimensional (2-D and 3-D) field computations performed for this design. 2 refs., 6 figs., 1 tab.

Realization and utilization of a harmonic light scattering experiment to select new molecules with great optical nonlinearity

International Nuclear Information System (INIS)

Dhenaut, Christophe

1995-01-01

Conception of new organic materials for nonlinear optics is generally driven by a molecular engineering approach. The usual technique for determining the quadratic hyper polarizability of designed molecules is the electric field induced second harmonic (EFISH) experiment. However this technique is limited to neutral molecules with a permanent dipole moment. We have realized an harmonic light scattering (HLS) experiment which allow the measurement of any kind of molecules, polar or non polar, neutral or ionic. Using this technique we have been able to demonstrate experimentally the validity of the octupole concept (molecules without dipole moment) which has been proposed recently. We have studied molecules corresponding to various octupolar geometries. Nonlinearities are found to be comparable to those of the best dipolar compounds. We have also investigated other molecular families with different symmetry such as polyenes, sub-phthalocyanines and phthalocyanines by EFISH and HLS techniques. We have confronted results obtained by the two experiments. It appears that these results are not easy to compare, the tensorial components accessible by each experiment being different. The two experiments seems complementary. HLS experiments allow the observation of a quadratic hyper polarizability for centrosymmetric molecules. This surprising observation could be explained by the contribution of a vibration al part to the hyper polarizability measured by HLS (but not present in EFISH). Interpretation of this dynamic process is still in progress. (author) [fr

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.

Development of LHC-IR model quadrupoles in the US

CERN Document Server

Sabbi, G

2007-01-01

Insertion quadrupoles with large aperture and high gradient are required to achieve the luminosity upgrade goal of 1035 cm-2 s-1 at the Large Hadron Collider (LHC). In 2004, the US Department of Energy established the LHC Accelerator Research Program (LARP) to develop a technology base for the upgrade. The focus of the magnet program, which is a collaboration of three US laboratories, BNL, FNAL and LBNL, is on development of high gradient quadrupoles using Nb$_{3}$Sn in order to operate at high field and with sufficient temperature margin. Other program components address issues regarding magnet design, radiation-hard materials, long magnet scale-up, quench protection, fabrication techniques and conductor and cable R&D. This paper reports on the development od model quadrupoles and outlines the long-term goals of the program.

Single-molecule spectroscopy reveals that individual low-light LH2 complexes from Rhodopseudomonas palustris 2.1.6. have a heterogeneous polypeptide composition.

Science.gov (United States)

Brotosudarmo, Tatas H P; Kunz, Ralf; Böhm, Paul; Gardiner, Alastair T; Moulisová, Vladimíra; Cogdell, Richard J; Köhler, Jürgen

2009-09-02

Rhodopseudomonas palustris belongs to the group of purple bacteria that have the ability to produce LH2 complexes with unusual absorption spectra when they are grown at low-light intensity. This ability is often related to the presence of multiple genes encoding the antenna apoproteins. Here we report, for the first time to our knowledge, direct evidence that individual low-light LH2 complexes have a heterogeneous alphabeta-apoprotein composition that modulates the site energies of Bchl a molecules, producing absorption bands at 800, 820, and 850 nm. The arrangement of the Bchl a molecules in the "tightly coupled ring" can be modeled by nine alphabeta-Bchls dimers, such that the Bchls bound to six alphabeta-pairs have B820-like site energies and the remaining Bchl a molecules have B850-like site energies. Furthermore, the experimental data can only be satisfactorily modeled when these six alphabeta-pairs with B820 Bchl a molecules are distributed such that the symmetry of the assembly is reduced to C(3). It is also clear from the measured single-molecule spectra that the energies of the electronically excited states in the mixed B820/850 ring are mainly influenced by diagonal disorder.

Employing exciton transfer molecules to increase the lifetime of phosphorescent red organic light emitting diodes

Science.gov (United States)

Lindla, Florian; Boesing, Manuel; van Gemmern, Philipp; Bertram, Dietrich; Keiper, Dietmar; Heuken, Michael; Kalisch, Holger; Jansen, Rolf H.

2011-04-01

The lifetime of phosphorescent red organic light emitting diodes (OLEDs) is investigated employing either N,N'-diphenyl-N,N'-bis(1-naphthylphenyl)-1,1'-biphenyl-4,4'-diamine (NPB), TMM117, or 4,4',4″-tris(N-carbazolyl)-triphenylamine (TCTA) as hole-conducting host material (mixed with an electron conductor). All OLED (organic vapor phase deposition-processed) show similar efficiencies around 30 lm/W but strongly different lifetimes. Quickly degrading OLED based on TCTA can be stabilized by doping exciton transfer molecules [tris-(phenyl-pyridyl)-Ir (Ir(ppy)3)] to the emission layer. At a current density of 50 mA/cm2 (12 800 cd/m2), a lifetime of 387 h can be achieved. Employing exciton transfer molecules is suggested to prevent the degradation of the red emission layer in phosphorescent white OLED.

High performance inkjet printed phosphorescent organic light emitting diodes based on small molecules commonly used in vacuum processes

Energy Technology Data Exchange (ETDEWEB)

Jung, Sung-Hoon [Department of Materials Science and Engineering, Seoul National University, Seoul, 151-742 (Korea, Republic of); Kim, Jang-Joo, E-mail: jjkim@snu.ac.kr [Department of Materials Science and Engineering, Seoul National University, Seoul, 151-742 (Korea, Republic of); Kim, Hyong-Jun, E-mail: hkim@kongju.ac.kr [Department of Chemical Engineering, Kongju National University, Cheonan, 330-717 (Korea, Republic of)

2012-09-30

High efficiency phosphorescent organic light emitting diodes (OLEDs) are realized by inkjet printing based on small molecules commonly used in vacuum processes in spite of the limitation of the limited solubility. The OLEDs used the inkjet printed 5 wt.% tris(2-phenylpyridine)iridium(III) (Ir(ppy){sub 3}) doped in 4,4 Prime -Bis(carbazol-9-yl)biphenyl (CBP) as the light emitting layer on various small molecule based hole transporting layers, which are widely used in the fabrication of OLEDs by vacuum processes. The OLEDs resulted in the high power and the external quantum efficiencies of 29.9 lm/W and 11.7%, respectively, by inkjet printing the CBP:Ir(ppy){sub 3} on a 40 nm thick 4,4 Prime ,4 Double-Prime -tris(carbazol-9-yl)triphenylamine layer. The performance was very close to a vacuum deposited device with a similar structure. - Highlights: Black-Right-Pointing-Pointer Effective inkjet printed organic light emitting diode (OLED) technique is explored. Black-Right-Pointing-Pointer Solution process on commonly used hole transporting material (HTM) is demonstrated. Black-Right-Pointing-Pointer Triplet energy overlap of HTM and emitting material is the key to the performance. Black-Right-Pointing-Pointer Simple inkjet printed OLED provides the high current efficiency of 40 cd/A.

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

Science.gov (United States)

Devi, Y. D.; Kota, V. K. B.

1993-07-01

A simple and yet useful model for deriving sdg interacting boson model (IBM) Hamiltonians is to assume that single-boson energies derive from identical particle (pp and nn) interactions and proton, neutron single-particle energies, and that the two-body matrix elements for bosons derive from pn interaction, with an IBM-2 to IBM-1 projection of the resulting p-n sdg IBM Hamiltonian. The applicability of this model in generating sdg IBM Hamiltonians is demonstrated, using a single-j-shell Otsuka-Arima-Iachello mapping of the quadrupole and hexadecupole operators in proton and neutron spaces separately and constructing a quadrupole-quadrupole plus hexadecupole-hexadecupole Hamiltonian in the analysis of the spectra, B(E2)'s, and E4 strength distribution in the example of 150Nd.

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

International Nuclear Information System (INIS)

Devi, Y.D.; Kota, V.K.B.

1993-01-01

A simple and yet useful model for deriving sdg interacting boson model (IBM) Hamiltonians is to assume that single-boson energies derive from identical particle (pp and nn) interactions and proton, neutron single-particle energies, and that the two-body matrix elements for bosons derive from pn interaction, with an IBM-2 to IBM-1 projection of the resulting p-n sdg IBM Hamiltonian. The applicability of this model in generating sdg IBM Hamiltonians is demonstrated, using a single-j-shell Otsuka-Arima-Iachello mapping of the quadrupole and hexadecupole operators in proton and neutron spaces separately and constructing a quadrupole-quadrupole plus hexadecupole-hexadecupole Hamiltonian in the analysis of the spectra, B(E2)'s, and E4 strength distribution in the example of 150 Nd

Superconducting magnets, cryostats, and cryogenics for the interaction region of the SSC

International Nuclear Information System (INIS)

Jayakumar, R.J.; Abramovich, S.; Zhmad, A.

1993-10-01

The Superconducting Super Collider (SSC) has two counterrotating 20-TeV proton beams that will be made to collide at specific interaction points to carry out high energy physics experiments. The Collider ring has two sites, West and East, for such Interaction Regions (IRs), and the conceptual design of the East Interaction Region is underway. The East IR, in the present stage of design, has two interaction points, the requirements for which have been specified in terms of distance L* to the nearest magnet and the beam luminosity. Based on these requirements, the optics for transition from arc regions or utility regions to the IR and for focusing the beams have been obtained. The optical arrangement consists of a tuning section of quadrupoles, the strength of which is adjusted to obtain the required beta squeeze; a pair of bending dipoles to reduce the beam separation from the nominal 900 mm to 450 mm; an achromat section of quadrupoles, which consist of two cold masses in one cryostnother pair of dipoles to bring the beams together at the required crossing angle; and a set of final focus quads facing the interaction point. The optics is symmetric about the interaction point, and the two interaction points are separated by a hinge region consisting of superconducting dipoles and quadrupoles similar to the arc region. In the regions where the beams are vertically bent and straightened out by dipoles, the beam traverses warm regions provided for placing beam collimators. The superconducting magnets, including the final focus quadrupoles, operate with supercritical He at 4 atm and a nominal temperature of 4.15 K. In this paper, descriptions of the magnets, the cryostats, and cryo bypasses around the warm region and interaction points are provided. Also discussed are the cooling requirements and design for the final focus quadrupole, which receives significant heat load from beam radiation

The use of lasers as sources for Raman spectrometry, resonance Raman spectrometry, and light scattering

International Nuclear Information System (INIS)

Capitini, R.; Ceccaldi, M.; Leicknam, J.P.; Plus, R.

1975-01-01

The activity of the laboratory is principally centred on the determination of molecular structures and the study of molecular interactions in solution by infrared and Raman spectrometry. With the development of work on relatively large molecules, particularly biological molecules, it became necessary to complete information on the molecular weight and on the intra and intermolecular geometry and interactions of these bodies. In order to obtain these informations Rayleigh scattering and resonance Raman spectrometry were used. The advantages of using vibrational spectrometry, particularly Raman, in conjunction with the diffusion of light for these structural and molecular interaction studies is emphasized. It is shown that these two techniques could not have developed as they have done in the last few years without the use of lasers as light source [fr

Single-molecule pull-down (SiMPull) for new-age biochemistry: methodology and biochemical applications of single-molecule pull-down (SiMPull) for probing biomolecular interactions in crude cell extracts.

Science.gov (United States)

Aggarwal, Vasudha; Ha, Taekjip

2014-11-01

Macromolecular interactions play a central role in many biological processes. Protein-protein interactions have mostly been studied by co-immunoprecipitation, which cannot provide quantitative information on all possible molecular connections present in the complex. We will review a new approach that allows cellular proteins and biomolecular complexes to be studied in real-time at the single-molecule level. This technique is called single-molecule pull-down (SiMPull), because it integrates principles of conventional immunoprecipitation with the powerful single-molecule fluorescence microscopy. SiMPull is used to count how many of each protein is present in the physiological complexes found in cytosol and membranes. Concurrently, it serves as a single-molecule biochemical tool to perform functional studies on the pulled-down proteins. In this review, we will focus on the detailed methodology of SiMPull, its salient features and a wide range of biological applications in comparison with other biosensing tools. © 2014 WILEY Periodicals, Inc.

Interactive green street enhancement using light dependent sensors and actuators

NARCIS (Netherlands)

Wouters, Ivo; Chen, W.; Oorschot, van B.; Smeenk, W.

2008-01-01

We propose and demonstrate a design of an interactive green street facility using light dependent sensors and actuators for enhancing the social cohesion of people. We show that electronics and green design can have positive effect on social interaction in a neighbourhood by a design example, called

Nuclear deformation in the configuration-interaction shell model

Science.gov (United States)

Alhassid, Y.; Bertsch, G. F.; Gilbreth, C. N.; Mustonen, M. T.

2018-02-01

We review a method that we recently introduced to calculate the finite-temperature distribution of the axial quadrupole operator in the laboratory frame using the auxiliary-field Monte Carlo technique in the framework of the configuration-interaction shell model. We also discuss recent work to determine the probability distribution of the quadrupole shape tensor as a function of intrinsic deformation β,γ by expanding its logarithm in quadrupole invariants. We demonstrate our method for an isotope chain of samarium nuclei whose ground states describe a crossover from spherical to deformed shapes.

Self-interaction corrections applied to Mg-porphyrin, C{sub 60}, and pentacene molecules

Energy Technology Data Exchange (ETDEWEB)

Pederson, Mark R. [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Baruah, Tunna; Basurto, Luis [Department of Physics, The University of Texas at El Paso, El Paso, Texas 79968 (United States); Kao, Der-you [Department of Mechanical and Aerospace Engineering, George Washington University, Washington, DC 20052 (United States)

2016-04-28

We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C{sub 60}, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexity of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C{sub 60} molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.

Raman scattering mediated by neighboring molecules

Science.gov (United States)

Williams, Mathew D.; Bradshaw, David S.; Andrews, David L.

2016-05-01

Raman scattering is most commonly associated with a change in vibrational state within individual molecules, the corresponding frequency shift in the scattered light affording a key way of identifying material structures. In theories where both matter and light are treated quantum mechanically, the fundamental scattering process is represented as the concurrent annihilation of a photon from one radiation mode and creation of another in a different mode. Developing this quantum electrodynamical formulation, the focus of the present work is on the spectroscopic consequences of electrodynamic coupling between neighboring molecules or other kinds of optical center. To encompass these nanoscale interactions, through which the molecular states evolve under the dual influence of the input light and local fields, this work identifies and determines two major mechanisms for each of which different selection rules apply. The constituent optical centers are considered to be chemically different and held in a fixed orientation with respect to each other, either as two components of a larger molecule or a molecular assembly that can undergo free rotation in a fluid medium or as parts of a larger, solid material. The two centers are considered to be separated beyond wavefunction overlap but close enough together to fall within an optical near-field limit, which leads to high inverse power dependences on their local separation. In this investigation, individual centers undergo a Stokes transition, whilst each neighbor of a different species remains in its original electronic and vibrational state. Analogous principles are applicable for the anti-Stokes case. The analysis concludes by considering the experimental consequences of applying this spectroscopic interpretation to fluid media; explicitly, the selection rules and the impact of pressure on the radiant intensity of this process.

Raman scattering mediated by neighboring molecules

Energy Technology Data Exchange (ETDEWEB)

Williams, Mathew D.; Bradshaw, David S.; Andrews, David L., E-mail: david.andrews@physics.org [School of Chemistry, University of East Anglia, Norwich NR4 7TJ (United Kingdom)

2016-05-07

Raman scattering is most commonly associated with a change in vibrational state within individual molecules, the corresponding frequency shift in the scattered light affording a key way of identifying material structures. In theories where both matter and light are treated quantum mechanically, the fundamental scattering process is represented as the concurrent annihilation of a photon from one radiation mode and creation of another in a different mode. Developing this quantum electrodynamical formulation, the focus of the present work is on the spectroscopic consequences of electrodynamic coupling between neighboring molecules or other kinds of optical center. To encompass these nanoscale interactions, through which the molecular states evolve under the dual influence of the input light and local fields, this work identifies and determines two major mechanisms for each of which different selection rules apply. The constituent optical centers are considered to be chemically different and held in a fixed orientation with respect to each other, either as two components of a larger molecule or a molecular assembly that can undergo free rotation in a fluid medium or as parts of a larger, solid material. The two centers are considered to be separated beyond wavefunction overlap but close enough together to fall within an optical near-field limit, which leads to high inverse power dependences on their local separation. In this investigation, individual centers undergo a Stokes transition, whilst each neighbor of a different species remains in its original electronic and vibrational state. Analogous principles are applicable for the anti-Stokes case. The analysis concludes by considering the experimental consequences of applying this spectroscopic interpretation to fluid media; explicitly, the selection rules and the impact of pressure on the radiant intensity of this process.