Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions.

PubMed

Écija, Patricia; Cocinero, Emilio J; Lesarri, Alberto; Millán, Judith; Basterretxea, Francisco; Fernández, José A; Castaño, Fernando

2011-04-28

The intrinsic conformational and structural properties of the bicycle exo-2-aminonorbornane have been probed in a supersonic jet expansion using Fourier-transform microwave (FT-MW) spectroscopy and quantum chemical calculations. The rotational spectrum revealed two different conformers arising from the internal rotation of the amino group, exhibiting small (MHz) hyperfine patterns originated by the (14)N nuclear quadrupole coupling interaction. Complementary ab initio (MP2) and DFT (B3LYP and M05-2X) calculations provided comparative predictions for the structural properties, rotational and centrifugal distortion data, hyperfine parameters, and isomerization barriers. Due to the similarity of the rotational constants, the structural assignment of the observed rotamers and the calculation of the torsion angles of the amino group were based on the conformational dependence of the (14)N nuclear quadrupole coupling hyperfine tensor. In the most stable conformation (ss), the two amino N-H bonds are staggered with respect to the adjacent C-H bond. In the second conformer (st), only one of the N-H bonds is staggered and the other is trans. A third predicted conformer (ts) was not detected, consistent with a predicted conformational relaxation to conformer ss through a low barrier of 5.2 kJ mol(-1).

Pulsed EPR investigations of systems modeling molybdenum enzymes: hyperfine and quadrupole parameters of oxo-17O in [Mo 17O(SPh)4]-.

PubMed

Astashkin, Andrei V; Neese, Frank; Raitsimring, Arnold M; Cooney, J Jon A; Bultman, Eric; Enemark, John H

2005-11-30

Ka band ESEEM spectroscopy was used to determine the hyperfine (hfi) and nuclear quadrupole (nqi) interaction parameters for the oxo-17O ligand in [Mo 17O(SPh)4]-, a spectroscopic model of the oxo-Mo(V) centers of enzymes. The isotropic hfi constant of 6.5 MHz found for the oxo-17O is much smaller than the values of approximately 20-40 MHz typical for the 17O nucleus of an equatorial OH(2) ligand in molybdenum enzymes. The 17O nqi parameter (e2qQ/h = 1.45 MHz, eta approximately = 0) is the first to be obtained for an oxo group in a metal complex. The parameters of the oxo-17O ligand, as well as other magnetic resonance parameters of [Mo 17O(SPh)4]- predicted by quasi-relativistic DFT calculations, were in good agreement with those obtained in experiment. From the electronic structure of the complex revealed by DFT, it follows that the SOMO is almost entirely molybdenum d(xy) and sulfur p, while the spin density on the oxo-17O is negative, determined by spin polarization mechanisms. The results of this work will enable direct experimental identification of the oxo ligand in a variety of chemical and biological systems.

Electron configuration and hydrogen-bonding pattern in several thymine and uracil analogues studied by 1H-14N NQDR and DFT/QTAIM.

PubMed

Seliger, Janez; Žagar, Veselko; Latosińska, Magdalena; Latosińska, Jolanta Natalia

2012-08-02

Some thio- and aza-derivatives of natural nucleobases uracil and thymine: 2-thiouracil, 4-thiouracil, 6-methyl-2-thiouracil, 6-azauracil, and 6-aza-2-thiothymine have been studied experimentally in solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the Density Functional Theory (DFT)/Quantum Theory of Atoms in Molecules (QTAIM). The (14)N resonance frequencies have been measured at 173 and 295 K and assigned to particular nitrogen sites (-N═ and -NH-). The temperature factor has been found negligible. The changes in the molecular skeletons, electric charge distribution, intermolecular interactions pattern, and molecular aggregations caused by oxygen replacement with sulfur and carbon replacement with nitrogen are discussed in detail. Correlations between all the principal components of the (14)N quadrupole coupling tensor have been found helpful in the search for the experimental (14)N NQR frequencies, their assignment to a particular nitrogen positions and estimation of the strength of the inter- and intramolecular interactions. The variation in the NQR parameters have been mainly related to the variation in the population of π-electron orbital. For thiouracil derivatives a general trend is that the stronger the hydrogen bond is, the lower is the asymmetry parameter, while for thymine and 6-aza-2-thiotymine, the opposite relation holds. Differences in correlations of the principal components of the (14)N quadrupole coupling tensor at the amino and iminonitrogen positions in heterocyclic rings are discussed. The effect of C→H and C→N substitution at the amino nitrogen position and C→N substitution at the iminonitrogen position on the quadrupole coupling tensor is analyzed. This study also demonstrates the advantages of combining NQR and DFT/QTAIM to predict an unsolved crystalline structure of 4-thiouracil.

Dynamic quadrupole interactions in semiconductors

NASA Astrophysics Data System (ADS)

Dang, Thien Thanh; Schell, Juliana; Lupascu, Doru C.; Vianden, Reiner

2018-04-01

The time differential perturbed angular correlation, TDPAC, technique has been used for several decades to study electric quadrupole hyperfine interactions in semiconductors such as dynamic quadrupole interactions (DQI) resulting from after-effects of the nuclear decay as well as static quadrupole interactions originating from static defects around the probe nuclei such as interstitial ions, stresses in the crystalline structure, and impurities. Nowadays, the quality of the available semiconductor materials is much better, allowing us to study purely dynamic interactions. We present TDPAC measurements on pure Si, Ge, GaAs, and InP as a function of temperature between 12 K and 110 K. The probe 111In (111Cd) was used. Implantation damage was recovered by thermal annealing. Si experienced the strongest DQI with lifetime, τg, increasing with rising temperature, followed by Ge. In contrast, InP and GaAs, which have larger band gaps and less electron concentration than Si and Ge in the same temperature range, presented no DQI. The results obtained also allow us to conclude that indirect band gap semiconductors showed the dynamic interaction, whereas the direct band gap semiconductors, restricted to GaAs and InP, did not.

17O nuclear quadrupole coupling constants of water bound to a metal ion: A gadolinium(III) case study

NASA Astrophysics Data System (ADS)

Yazyev, Oleg V.; Helm, Lothar

2006-08-01

Rotational correlation times of metal ion aqua complexes can be determined from O17 NMR relaxation rates if the quadrupole coupling constant of the bound water oxygen-17 nucleus is known. The rotational correlation time is an important parameter for the efficiency of Gd3+ complexes as magnetic resonance imaging contrast agents. Using a combination of density functional theory with classical and Car-Parrinello molecular dynamics simulations we performed a computational study of the O17 quadrupole coupling constants in model aqua ions and the [Gd(DOTA)(H2O)]- complex used in clinical diagnostics. For the inner sphere water molecule in the [Gd(DOTA)(H2O)]- complex the determined quadrupole coupling parameter χ√1+η2/3 of 8.7MHz is very similar to that of the liquid water (9.0MHz ). Very close values were also predicted for the the homoleptic aqua ions of Gd3+ and Ca2+. We conclude that the O17 quadrupole coupling parameters of water molecules coordinated to closed shell and lanthanide metal ions are similar to water molecules in the liquid state.

Analytical approach to chromatic correction in the final focus system of circular colliders

DOE PAGES

Cai, Yunhai

2016-11-28

Here, a conventional final focus system in particle accelerators is systematically analyzed. We find simple relations between the parameters of two focus modules in the final telescope. Using the relations, we derive the chromatic Courant-Snyder parameters for the telescope. The parameters are scaled approximately according to (L*/βmore » $$*\\atop{y}$$)δ, where L* is the distance from the interaction point to the first quadrupole, β$$*\\atop{y}$$ the vertical beta function at the interaction point, and δ the relative momentum deviation. Most importantly, we show how to compensate its chromaticity order by order in δ by a traditional correction module flanked by an asymmetric pair of harmonic multipoles. The method enables a circular Higgs collider with 2% momentum aperture and illuminates a path forward to 4% in the future.« less

Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex.

PubMed

Liu, Jing-Min; Zhai, Yu; Zhang, Xiao-Long; Li, Hui

2018-01-17

A thorough understanding of the intermolecular configurations of van der Waals complexes is a great challenge due to their weak interactions, floppiness and anharmonic nature. Although high-resolution microwave or infrared spectroscopy provides one of the most direct and precise pieces of experimental evidence, the origin and key role in determining such intermolecular configurations of a van der Waals system strongly depend on its highly accurate potential energy surface (PES) and a detailed analysis of its ro-vibrational wavefunctions. Here, a new five-dimensional potential energy surface for the van der Waals complex of CO-N 2 which explicitly incorporates the dependence on the stretch coordinate of the CO monomer is generated using the explicitly correlated couple cluster (CCSD(T)-F12) method in conjunction with a large basis set. Analytic four-dimensional PESs are obtained by the least-squares fitting of vibrationally averaged interaction energies for v = 0 and v = 1 to the Morse/Long-Range potential mode (V MLR ). These fits to 7966 points have root-mean-square deviations (RMSD) of 0.131 cm -1 and 0.129 cm -1 for v = 0 and v = 1, respectively, with only 315 parameters. Energy decomposition analysis is carried out, and it reveals that the dominant factor in controlling intermolecular configurations is quadrupole-quadrupole electrostatic interactions. Moreover, the rovibrational levels and wave functions are obtained for the first time. The predicted infrared transitions and intensities for the ortho-N 2 -CO complex as well as the calculated energy levels for para-N 2 -CO are in good agreement with the available experimental data with RMSD discrepancies smaller than 0.068 cm -1 . The calculated infrared band origin shift associated with the fundamental band frequency of CO is -0.721 cm -1 for ortho-N 2 -CO which is in excellent agreement with the experimental value of -0.739 cm -1 . The agreement with experimental values validates the high quality of the PESs and enhances our confidence to explain the observed mystery lines around 2163 cm -1 .

Electrostatic attraction between neutral microdroplets by ion fluctuations

NASA Astrophysics Data System (ADS)

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P2z >2 r-6 , dipole-quadrupole < P2z > < Q 2zz > r-8 , dipole-octupole < P2z > < O 2zzz > r-10 , and quadrupole-quadrupole interactions < Q 2zz >2 r-10 . The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Electrostatic attraction between neutral microdroplets by ion fluctuations.

PubMed

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P(2)(z) >(2) r(-6), dipole-quadrupole < P(2)(z) > < Q (2)(zz ) > r(-8), dipole-octupole < P(2)(z) > < O (2)(zzz ) > r(-10), and quadrupole-quadrupole interactions < Q (2)(zz ) >(2) r(-10). The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Theoretical level energies and transition data for 4p64d4, 4p64d34f and 4p54d5 configurations of W34+ ion

NASA Astrophysics Data System (ADS)

Karpuškienė, R.; Bogdanovich, P.; Kisielius, R.

2017-05-01

The ab initio quasirelativistic approach developed specifically for the calculation of spectral parameters of highly charged ions was used to derive transition data for the tungsten ion W34+. The configuration interaction method was applied to include electron correlation effects. The relativistic effects were taken into account in the Breit-Pauli approximation. The level energies, radiative lifetimes τ, Landé g-factors are determined for the ground configuration 4p64d4 and two excited configurations 4p64d34f and 4p54d5. The radiative transition wavelengths λ and emission transition probabilities A for the electric dipole, electric quadrupole, electric octupole, magnetic dipole, and magnetic quadrupole transitions among the levels of these configurations are produced.

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

NASA Astrophysics Data System (ADS)

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.

Weak quadrupole moments

NASA Astrophysics Data System (ADS)

Lackenby, B. G. C.; Flambaum, V. V.

2018-07-01

We introduce the weak quadrupole moment (WQM) of nuclei, related to the quadrupole distribution of the weak charge in the nucleus. The WQM produces a tensor weak interaction between the nucleus and electrons and can be observed in atomic and molecular experiments measuring parity nonconservation. The dominating contribution to the weak quadrupole is given by the quadrupole moment of the neutron distribution, therefore, corresponding experiments should allow one to measure the neutron quadrupoles. Using the deformed oscillator model and the Schmidt model we calculate the quadrupole distributions of neutrons, Q n , the WQMs, {Q}W(2), and the Lorentz invariance violating energy shifts in 9Be, 21Ne, 27Al, 131Xe, 133Cs, 151Eu, 153Eu, 163Dy, 167Er, 173Yb, 177Hf, 179Hf, 181Ta, 201Hg and 229Th.

Chemical (knight) shift distortions of quadrupole-split deuteron powder spectra in solids

NASA Astrophysics Data System (ADS)

Torgeson, D. R.; Schoenberger, R. J.; Barnes, R. G.

In strong magnetic fields (e.g., 8 Tesla) anisotropy of the shift tensor (chemical or Knight shift) can alter the spacings of the features of quadrupole-split deuteron spectra of polycrystalline samples. Analysis of powder spectra yields both correct quadrupole coupling and symmetry parameters and all the components of the shift tensor. Synthetic and experimental examples are given to illustrate such behavior.

The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms

NASA Astrophysics Data System (ADS)

Tang, Li-Yan; Yan, Zong-Chao; Shi, Ting-Yun; Babb, James F.; Mitroy, J.

2012-03-01

The long-range non-additive three-body dispersion interaction coefficients Z111, Z112, Z113, and Z122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z112, Z113, and Z122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.

Fourier transform microwave spectroscopy of the SiCl+ ion

NASA Astrophysics Data System (ADS)

Tanaka, Keiichi; Harada, Kensuke; Cabezas, Carlos; Endo, Yasuki

2018-03-01

Fourier transform microwave spectra for the J = 1 ← 0 and 2 ← 1 rotational transitions of the SiCl+ ion were observed for two isotopologues (35 Cl and 37 Cl) in the ground and the first excited vibrational states of the ground 1Σ+ electronic state. Thanks to the high resolution of the FTMW spectrometer, hyperfine structures due to the quadrupole moment of the chlorine nucleus and the nuclear spin-rotation interaction were fully resolved. The observed FTMW spectra were combined with previously reported MMW and diode laser spectra in an analysis to determine the mass-independent Dunham coefficients Uk,l as well as a mass scaling parameter Δ01Cl = - 0.856 (30) . The equilibrium bond length of SiCl+ determined is re = 1.9439729 (10) Å and the nuclear quadrupole coupling constant of Si35 Cl+ is eQqe = - 11.8788 (23) MHz.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nesterov, V. A., E-mail: archerix@ukpost.ua

On the basis of the energy-density method, the effect of simultaneously taking into account the Pauli exclusion principle and the monopole and quadrupole polarizations of interacting nuclei on their interaction potential is considered for the example of the {sup 16}O + {sup 16}O system by using the wave function for the two-center shell model. The calculations performed in the adiabatic approximation reveal that the inclusion of the Pauli exclusion principle and the polarization of interacting nuclei, especially their quadrupole polarization, has a substantial effect on the potential of the nucleus-nucleus interaction.

27 Al MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jian Zhi; Wan, Chuan; Vjunov, Aleksei

27Al single pulse (SP) MAS NMR spectra of HBEA zeolites with high Si/Al ratios of 71 and 75 were obtained at three magnetic field strengths of 7.05, 11.75 and 19.97 T. High field 27Al MAS NMR spectra acquired at 19.97 T show significantly improved spectral resolution, resulting in at least two well-resolved tetrahedral-Al NMR peaks. Based on the results obtained from 27Al MAS and MQMAS NMR acquired at 19.97 T, four different quadrupole peaks are used to deconvolute the 27Al SP MAS spectra acquired at vari-ous fields by using the same set of quadrupole coupling constants, asymmetric parameters and relativemore » integrated peak intensities for the tetrahedral Al peaks. The line shapes of individual peaks change from typical quadrupole line shape at low field to essentially symmetrical line shapes at high field. We demonstrate that for fully hydrated HBEA zeolites the effect of second order quadrupole interaction can be ignored and quantitative spectral analysis can be performed by directly fitting the high field spectra using mixed Gaussian/Lorentzian line shapes. Also, the analytical steps described in our work allow direct assignment of spectral intensity to individual Al tetrahedral sites (T-sites) of zeolite HBEA. Finally, the proposed concept is suggested generally applicable to other zeo-lite framework types, thus, allowing a direct probing of Al distributions by NMR spectroscopic methods in zeolites with high confi-dence.« less

Theoretical design of twelve-band infrared metamaterial perfect absorber by combining the dipole, quadrupole, and octopole plasmon resonance modes of four different ring-strip resonators.

PubMed

Zhao, Lei; Liu, Han; He, Zhihong; Dong, Shikui

2018-05-14

Multiband metamaterial perfect absorbers (MPAs) have promising applications in many fields like microbolometers, infrared detection, biosensing, and thermal emitters. In general, the single resonator can only excite a fundamental mode and achieve single absorption band. The multiband MPA can be achieved by combining several different sized resonators together. However, it's still challenging to design the MPA with absorption bands of more than four and average absorptivity of more than 90% due to the interaction between differently sized resonators. In this paper, three absorption bands are successfully achieved with average absorptivity up to 98.5% only utilizing single one our designed ring-strip resonator, which can simultaneously excite a fundamental electric dipole mode, a higher-order electric quadrupole mode, and a higher-order electric octopole mode. As the biosensor, the sensing performance of the higher-order modes is higher than the fundamental modes. Then we try to increase the absorption bands by combining different sized ring-strip resonators together and make the average absorptivity above 90% by optimizing the geometry parameters. A six-band MPA is achieved by combining two different sized ring-strip resonators with average absorptivity up to 98.8%, which can excite two dipole modes, two quadrupole modes, and two octopole modes. A twelve-band MPA is achieved by combining four different sized ring-strip resonators with average absorptivity up to 93.7%, which can excite four dipole modes, four quadrupole modes, and four octopole modes.

Measuring Parameters of Massive Black Hole Binaries with Partially Aligned Spins

NASA Technical Reports Server (NTRS)

Lang, Ryan N.; Hughes, Scott A.; Cornish, Neil J.

2011-01-01

The future space-based gravitational wave detector LISA will be able to measure parameters of coalescing massive black hole binaries, often to extremely high accuracy. Previous work has demonstrated that the black hole spins can have a strong impact on the accuracy of parameter measurement. Relativistic spin-induced precession modulates the waveform in a manner which can break degeneracies between parameters, in principle significantly improving how well they are measured. Recent studies have indicated, however, that spin precession may be weak for an important subset of astrophysical binary black holes: those in which the spins are aligned due to interactions with gas. In this paper, we examine how well a binary's parameters can be measured when its spins are partially aligned and compare results using waveforms that include higher post-Newtonian harmonics to those that are truncated at leading quadrupole order. We find that the weakened precession can substantially degrade parameter estimation, particularly for the "extrinsic" parameters sky position and distance. Absent higher harmonics, LISA typically localizes the sky position of a nearly aligned binary about an order of magnitude less accurately than one for which the spin orientations are random. Our knowledge of a source's sky position will thus be worst for the gas-rich systems which are most likely to produce electromagnetic counterparts. Fortunately, higher harmonics of the waveform can make up for this degradation. By including harmonics beyond the quadrupole in our waveform model, we find that the accuracy with which most of the binary's parameters are measured can be substantially improved. In some cases, the improvement is such that they are measured almost as well as when the binary spins are randomly aligned.

Testing the Binary Black Hole Nature of a Compact Binary Coalescence

NASA Astrophysics Data System (ADS)

Krishnendu, N. V.; Arun, K. G.; Mishra, Chandra Kant

2017-09-01

We propose a novel method to test the binary black hole nature of compact binaries detectable by gravitational wave (GW) interferometers and, hence, constrain the parameter space of other exotic compact objects. The spirit of the test lies in the "no-hair" conjecture for black holes where all properties of a Kerr black hole are characterized by its mass and spin. The method relies on observationally measuring the quadrupole moments of the compact binary constituents induced due to their spins. If the compact object is a Kerr black hole (BH), its quadrupole moment is expressible solely in terms of its mass and spin. Otherwise, the quadrupole moment can depend on additional parameters (such as the equation of state of the object). The higher order spin effects in phase and amplitude of a gravitational waveform, which explicitly contains the spin-induced quadrupole moments of compact objects, hence, uniquely encode the nature of the compact binary. Thus, we argue that an independent measurement of the spin-induced quadrupole moment of the compact binaries from GW observations can provide a unique way to distinguish binary BH systems from binaries consisting of exotic compact objects.

Testing the Binary Black Hole Nature of a Compact Binary Coalescence.

PubMed

Krishnendu, N V; Arun, K G; Mishra, Chandra Kant

2017-09-01

We propose a novel method to test the binary black hole nature of compact binaries detectable by gravitational wave (GW) interferometers and, hence, constrain the parameter space of other exotic compact objects. The spirit of the test lies in the "no-hair" conjecture for black holes where all properties of a Kerr black hole are characterized by its mass and spin. The method relies on observationally measuring the quadrupole moments of the compact binary constituents induced due to their spins. If the compact object is a Kerr black hole (BH), its quadrupole moment is expressible solely in terms of its mass and spin. Otherwise, the quadrupole moment can depend on additional parameters (such as the equation of state of the object). The higher order spin effects in phase and amplitude of a gravitational waveform, which explicitly contains the spin-induced quadrupole moments of compact objects, hence, uniquely encode the nature of the compact binary. Thus, we argue that an independent measurement of the spin-induced quadrupole moment of the compact binaries from GW observations can provide a unique way to distinguish binary BH systems from binaries consisting of exotic compact objects.

Cranking Calculation in the sdg Interacting Boson Model

NASA Astrophysics Data System (ADS)

Wang, Baolin

1998-10-01

A self-consistent cranking calculation of the intrinsic states of the sdg interacting boson model is performed. The formulae of the moment of inertia are given in a general sdg IBM multipole Hamiltonian with one- and two-body terms. In the quadrupole interaction, the intrinsic states, the quadrupole and hexadecapole deformation and the moment of inertia are investigated in the large N limit. Using a simple Hamiltonian, the results of numerical calculations for 152, 154Sm and 154-160 Gd satisfactorily reproduce the experimental data.

Theory of elastic interaction between arbitrary colloidal particles in confined nematic liquid crystals.

PubMed

Tovkach, O M; Chernyshuk, S B; Lev, B I

2012-12-01

We develop the method proposed by Chernyshuk and Lev [Phys. Rev. E 81, 041701 (2010)] for theoretical investigation of elastic interactions between colloidal particles of arbitrary shape and chirality (polar as well as azimuthal anchoring) in the confined nematic liquid crystal (NLC). General expressions for six different types of multipole elastic interactions are obtained in the confined NLC: monopole-monopole (Coulomb type), monopole-dipole, monopole-quadrupole, dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. The obtained formulas remain valid in the presence of the external electric or magnetic fields. The exact equations are found for all multipole coefficients for the weak anchoring case. For the strong anchoring coupling, the connection between the symmetry of the shape or director and multipole coefficients is obtained, which enables us to predict which multipole coefficients vanish and which remain nonzero. The particles with azimuthal helicoid anchoring are considered as an example. Dipole-dipole interactions between helicoid cylinders and cones are found in the confined NLC. In addition, the banana-shaped particles in homeotropic and planar nematic cells are considered. It is found that the dipole-dipole interaction between banana-shaped particles differs greatly from the dipole-dipole interaction between the axially symmetrical particles in the nematic cell. There is a crossover from attraction to repulsion between banana particles along some directions in nematic cells. It is shown that monopoles do not "feel" the type of nematic cell: monopole-monopole interaction turns out to be the same in homeotropic and planar nematic cells and converges to the Coulomb law as thickness increases, L→∞.

Development of MQXF: The Nb 3Sn low-β quadrupole for the HiLumi LHC

DOE PAGES

Ferracin, P.; G. Ambrosio; Anerella, M.; ...

2015-12-18

The High Luminosity (HiLumi) Large Hadron Collider (LHC) project has, as the main objective, to increase the LHC peak luminosity by a factor five and the integrated luminosity by a factor ten. This goal will be achieved mainly with a new interaction region layout, which will allow a stronger focusing of the colliding beams. The target will be to reduce the beam size in the interaction points by a factor of two, which requires doubling the aperture of the low-β (or inner triplet) quadrupole magnets. The use of Nb3Sn superconducting material and, as a result, the possibility of operating atmore » magnetic field levels in the windings higher than 11 T will limit the increase in length of these quadrupoles, called MQXF, to acceptable levels. After the initial design phase, where the key parameters were chosen and the magnet's conceptual design finalized, the MQXF project, a joint effort between the U.S. LHC Accelerator Research Program and the Conseil Europeen pour la Recherche Nucleaire (CERN), has now entered the construction and test phase of the short models. Concurrently, the preparation for the development of the full-length prototypes has been initiated. Lastly, this paper will provide an overview of the project status, describing and reporting on the performance of the superconducting material, the lessons learnt during the fabrication of superconducting coils and support structure, and the fine tuning of the magnet design in view of the start of the prototyping phase.« less

a High-Density Electron Beam and Quad-Scan Measurements at Pleiades Thomson X-Ray Source

NASA Astrophysics Data System (ADS)

Lim, J. K.; Rosenzweig, J. B.; Anderson, S. G.; Tremaine, A. M.

2007-09-01

A recent development of the photo-cathode injector technology has greatly enhanced the beam quality necessary for the creation of high density/high brightness electron beam sources. In the Thomson backscattering x-ray experiment, there is an immense need for under 20 micron electron beam spot at the interaction point with a high-intensity laser in order to produce a large x-ray flux. This has been demonstrated successfully at PLEIADES in Lawrence Livermore National Laboratory. For this Thomson backscattering experiment, we employed an asymmetric triplet, high remanence permanent-magnet quads to produce smaller electron beams. Utilizing highly efficient optical transition radiation (OTR) beam spot imaging technique and varying electron focal spot sizes enabled a quadrupole scan at the interaction zone. Comparisons between Twiss parameters obtained upstream to those parameter values deduced from PMQ scan will be presented in this report.

a High-Density Electron Beam and Quad-Scan Measurements at Pleiades Thomson X-Ray Source

NASA Astrophysics Data System (ADS)

Lim, J. K.; Rosenzweig, J. B.; Anderson, S. G.; Tremaine, A. M.

A recent development of the photo-cathode injector technology has greatly enhanced the beam quality necessary for the creation of high density/high brightness electron beam sources. In the Thomson backscattering x-ray experiment, there is an immense need for under 20 micron electron beam spot at the interaction point with a high-intensity laser in order to produce a large x-ray flux. This has been demonstrated successfully at PLEIADES in Lawrence Livermore National Laboratory. For this Thomson backscattering experiment, we employed an asymmetric triplet, high remanence permanent-magnet quads to produce smaller electron beams. Utilizing highly efficient optical transition radiation (OTR) beam spot imaging technique and varying electron focal spot sizes enabled a quadrupole scan at the interaction zone. Comparisons between Twiss parameters obtained upstream to those parameter values deduced from PMQ scan will be presented in this report.

Phase transitions in the sdg interacting boson model

NASA Astrophysics Data System (ADS)

Van Isacker, P.; Bouldjedri, A.; Zerguine, S.

2010-05-01

A geometric analysis of the sdg interacting boson model is performed. A coherent state is used in terms of three types of deformation: axial quadrupole ( β), axial hexadecapole ( β) and triaxial ( γ). The phase-transitional structure is established for a schematic sdg Hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical U(5)⊗U(9), the (prolate and oblate) deformed SU(3) and the γ-soft SO(15) limits. For realistic choices of the Hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the sd version of the model and, in particular, no transition towards a stable triaxial shape is found.

The 57Fe hyperfine interactions in human liver ferritin and its iron-polymaltose analogues: the heterogeneous iron core model

NASA Astrophysics Data System (ADS)

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

2016-12-01

Human liver ferritin and its iron-polymaltose pharmaceutical analogues Ferrum Lek, Maltofer® and Ferrifol® were studied using Mössbauer spectroscopy at 295 and 90 K. The Mössbauer spectra were fitted on the basis of a new model of heterogeneous iron core structure using five quadrupole doublets. These components were related to the corresponding more or less close-packed iron core layers/regions demonstrating some variations in the 57Fe hyperfine parameters for the studied samples.

NMR spectrum analysis for CrAs at ambient pressure

NASA Astrophysics Data System (ADS)

Kotegawa, H.; Nakahara, S.; Matsushima, K.; Tou, H.; Matsuoka, E.; Sugawara, H.; Harima, H.

2018-05-01

We report NMR spectrum analysis for CrAs, which was recently reported to be superconducting under pressure. The NMR spectrum obtained by the powdered single crystals shows a typical powder pattern reproduced by the electric field gradient (EFG) parameters and isotropic Knight shift, indicating anisotropy of Knight shift is not remarkable in CrAs. For the oriented sample, the spectrum can be understood by considering that the crystals are aligned for H ∥ b . The temperature dependence of Knight shift was successfully obtained from NMR spectrum with large nuclear quadrupole interaction.

Matter-wave solitons supported by quadrupole-quadrupole interactions and anisotropic discrete lattices

NASA Astrophysics Data System (ADS)

Zhong, Rong-Xuan; Huang, Nan; Li, Huang-Wu; He, He-Xiang; Lü, Jian-Tao; Huang, Chun-Qing; Chen, Zhao-Pin

2018-04-01

We numerically and analytically investigate the formations and features of two-dimensional discrete Bose-Einstein condensate solitons, which are constructed by quadrupole-quadrupole interactional particles trapped in the tunable anisotropic discrete optical lattices. The square optical lattices in the model can be formed by two pairs of interfering plane waves with different intensities. Two hopping rates of the particles in the orthogonal directions are different, which gives rise to a linear anisotropic system. We find that if all of the pairs of dipole and anti-dipole are perpendicular to the lattice panel and the line connecting the dipole and anti-dipole which compose the quadrupole is parallel to horizontal direction, both the linear anisotropy and the nonlocal nonlinear one can strongly influence the formations of the solitons. There exist three patterns of stable solitons, namely horizontal elongation quasi-one-dimensional discrete solitons, disk-shape isotropic pattern solitons and vertical elongation quasi-continuous solitons. We systematically demonstrate the relationships of chemical potential, size and shape of the soliton with its total norm and vertical hopping rate and analytically reveal the linear dispersion relation for quasi-one-dimensional discrete solitons.

New method in muon-hadron absorption on Thx DUO2 nano material structure at 561 MHz quantum gyro-magnetic

NASA Astrophysics Data System (ADS)

Hardiyanto, M.; Ermawaty, I. R.

2018-01-01

We present an experimental of muan-hadron tunneling chain investigation with new methods of Thx DUO2 nano structure based on Josephson’s tunneling and Abrikosov-Balseiro-Russel (ABR) formulation with quantum quadrupole interacting with a strongly localized high gyro-magnetic optical field as encountered in high-resolution near-field optical microscopy for 1.2 nano meter lambda-function. The strong gradients of these localized gyro-magnetic fields suggest that higher-order multipolar interactions will affect the standard magnetic quadrupole transition rates in 1.8 x 103 currie/mm fuel energy in nuclear moderator pool and selection rules with quatum dot. For muan-hadron absorption in Josephson’s tunnelling quantum quadrupole in the strong confinement limit we calculated the inter band of gyro-magnetic quadrupole absorption rate and the associated selection rules. Founded that the magnetic quadrupole absorption rate is comparable with the absorption rate calculated in the gyro-magneticdipole approximation of ThxDUO2 nano material structure. This implies that near-field optical techniques can extend the range of spectroscopic measurements for 545 MHz at quantum gyro-magnetic field until 561 MHz deployment quantum field at B around 455-485 tesla beyond the standard dipole approximation. However, we also show that spatial resolution could be improved by the selective excitation of ABR formulation in quantum quadrupole transitions.

Quadrupole-Quadrupole Interactions to Control Plasmon-Induced Transparency

NASA Astrophysics Data System (ADS)

Rana, Goutam; Deshmukh, Prathmesh; Palkhivala, Shalom; Gupta, Abhishek; Duttagupta, S. P.; Prabhu, S. S.; Achanta, VenuGopal; Agarwal, G. S.

2018-06-01

Radiative dipolar resonance with Lorentzian line-shape induces the otherwise dark quadrupolar resonances resulting in electromagnetically induced transparency (EIT). The two interfering excitation pathways of the dipole are earlier shown to result in a Fano line shape with a high figure of merit suitable for sensing. In metamaterials made of metal nanorods or antennas, the plasmonic EIT (PIT) efficiency depends on the overlap of the dark and bright mode spectra as well as the asymmetry resulting from the separation between the monomer (dipole) and dimer (quadrupole) that governs the coupling strength. Increasing asymmetry in these structures leads to the reduction of the figure of merit due to a broadening of the Fano resonance. We demonstrate a PIT system in which the simultaneous excitation of two dipoles result in double PIT. The corresponding two quadrupoles interact and control the quality factor (Q ) of the PIT resonance. We show an antiresonancelike symmetric line shape with nonzero asymmetry factors. The PIT resonance vanishes due to quadrupole-quadrupole coupling. A Q factor of more than 100 at 0.977 THz is observed, which is limited by the experimental resolution of 6 GHz. From polarization-dependent studies we show that the broadening of the Lorentzian resonance is due to scattering-induced excitation of orthogonally oriented dipoles in the monomer and dimer bars in the terahertz regime. The high Q factors in the terahertz frequency region demonstrated here are interesting for sensing application.

A -cation control of magnetoelectric quadrupole order in A (TiO)Cu 4(PO4)4(A =Ba ,Sr, and Pb)

NASA Astrophysics Data System (ADS)

Kimura, K.; Toyoda, M.; Babkevich, P.; Yamauchi, K.; Sera, M.; Nassif, V.; Rønnow, H. M.; Kimura, T.

2018-04-01

Ferroic magnetic quadrupole order exhibiting macroscopic magnetoelectric activity is discovered in the novel compound A (TiO ) Cu4(PO4)4 with A = Pb, which is in contrast with antiferroic quadrupole order observed in the isostructural compounds with A = Ba and Sr. Unlike the famous lone-pair stereochemical activity which often triggers ferroelectricity as in PbTiO3, the Pb2 + cation in Pb (TiO ) Cu4(PO4)4 is stereochemically inactive but dramatically alters specific magnetic interactions and consequently switches the quadrupole order from antiferroic to ferroic. Our first-principles calculations uncover a positive correlation between the degree of A -O bond covalency and a stability of the ferroic quadrupole order.

Stability of an aqueous quadrupole micro-trap

DOE PAGES

Park, Jae Hyun; Krstić, Predrag S.

2012-03-30

Recently demonstrated functionality of an aqueous quadrupole micro- or nano-trap opens a new avenue for applications of the Paul traps, like is confinement of a charged biomolecule which requires water environment for its chemical stability. Besides strong viscosity forces, motion of a charged particle in the aqueous trap is subject to dielectrophoretic and electrophoretic forces. In this study, we describe the general conditions for stability of a charged particle in an aqueous quadrupole trap. We find that for the typical micro-trap parameters, effects of both dielectrophoresis and electrophoresis significantly influence the trap stability. In particular, the aqueous quadrupole trap couldmore » play of a role of a synthetic virtual nanopore for the 3rd generation of DNA sequencing technology.« less

Gravitational radiation quadrupole formula is valid for gravitationally interacting systems

NASA Technical Reports Server (NTRS)

Walker, M.; Will, C. M.

1980-01-01

An argument is presented for the validity of the quadrupole formula for gravitational radiation energy loss in the far field of nearly Newtonian (e.g., binary stellar) systems. This argument differs from earlier ones in that it determines beforehand the formal accuracy of approximation required to describe gravitationally self-interacting systems, uses the corresponding approximate equation of motion explicitly, and evaluates the appropriate asymptotic quantities by matching along the correct space-time light cones.

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

DOE PAGES

Cho, Herman

2016-02-28

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2,5/2,7/2, and 9/2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Furthermore, applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi.

PubMed

Le, Anh; Steimle, Timothy C; Morse, Michael D; Garcia, Maria A; Cheng, Lan; Stanton, John F

2013-12-19

The (6,0)[16.0]1.5-X(2)Δ(5/2) and (7,0)[16.0]3.5-X(2)Δ(5/2) bands of IrSi have been recorded using high-resolution laser-induced fluorescence spectroscopy. The field-free spectra of the (191)IrSi and (193)IrSi isotopologues were modeled to generate a set of fine, magnetic hyperfine, and nuclear quadrupole hyperfine parameters for the X(2)Δ(5/2)(v = 0), [16.0]1.5(v = 6), and [16.0]3.5 (v = 7) states. The observed optical Stark shifts for the (193)IrSi and (191)IrSi isotopologues were analyzed to produce the permanent electric dipole moments, μ(el), of -0.414(6) D and 0.782(6) D for the X(2)Δ(5/2) and [16.0]1.5 (v = 6) states, respectively. Properties of the X(2)Δ(5/2) state computed using relativistic coupled-cluster methods clearly indicate that electron correlation plays an essential role. Specifically, inclusion of correlation changes the sign of the dipole moment and is essential for achieving good accuracy for the nuclear quadrupole coupling parameter eQq0.

Communication: On the isotope anomaly of nuclear quadrupole coupling in molecules

NASA Astrophysics Data System (ADS)

Filatov, Michael; Zou, Wenli; Cremer, Dieter

2012-10-01

The dependence of the nuclear quadrupole coupling constants (NQCC) on the interaction between electrons and a nucleus of finite size is theoretically analyzed. A deviation of the ratio of the NQCCs obtained from two different isotopomers of a molecule from the ratio of the corresponding bare nuclear electric quadrupole moments, known as quadrupole anomaly, is interpreted in terms of the logarithmic derivatives of the electric field gradient at the nuclear site with respect to the nuclear charge radius. Quantum chemical calculations based on a Dirac-exact relativistic methodology suggest that the effect of the changing size of the Au nucleus in different isotopomers can be observed for Au-containing molecules, for which the predicted quadrupole anomaly reaches values of the order of 0.1%. This is experimentally detectable and provides an insight into the charge distribution of non-spherical nuclei.

Structure and orientational ordering in a fluid of elongated quadrupolar molecules

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra

2013-01-01

A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic-nematic transition in a system of fluids of elongated molecules interacting via the Gay-Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein-Zernike equation using the Percus-Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic-nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.

Characterization of the hyperfine interaction of the excited D50 state of Eu3 +:Y2SiO5

NASA Astrophysics Data System (ADS)

Cruzeiro, Emmanuel Zambrini; Etesse, Jean; Tiranov, Alexey; Bourdel, Pierre-Antoine; Fröwis, Florian; Goldner, Philippe; Gisin, Nicolas; Afzelius, Mikael

2018-03-01

We characterize the europium (Eu3 +) hyperfine interaction of the excited state (D50) and determine its effective spin Hamiltonian parameters for the Zeeman and quadrupole tensors. An optical free induction decay method is used to measure all hyperfine splittings under a weak external magnetic field (up to 10 mT) for various field orientations. On the basis of the determined Hamiltonian, we discuss the possibility to predict optical transition probabilities between hyperfine levels for the F70⟷D50 transition. The obtained results provide necessary information to realize an optical quantum memory scheme which utilizes long spin coherence properties of 3 + 151Eu :Y2SiO5 material under external magnetic fields.

Nonlinear theory of transverse beam echoes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sen, Tanaji; Li, Yuan Shen

Transverse beam echoes can be excited with a single dipole kick followed by a single quadrupole kick. They have been used to measure diffusion in hadron beams and have other diagnostic capabilities. Here we develop theories of the transverse echo nonlinear in both the dipole and quadrupole kick strengths. The theories predict the maximum echo amplitudes and the optimum strength parameters. We find that the echo amplitude increases with smaller beam emittance and the asymptotic echo amplitude can exceed half the initial dipole kick amplitude. We show that multiple echoes can be observed provided the dipole kick is large enough.more » The spectrum of the echo pulse can be used to determine the nonlinear detuning parameter with small amplitude dipole kicks. Simulations are performed to check the theoretical predictions. In the useful ranges of dipole and quadrupole strengths, they are shown to be in reasonable agreement.« less

Nonlinear theory of transverse beam echoes

DOE PAGES

Sen, Tanaji; Li, Yuan Shen

2018-02-23

Transverse beam echoes can be excited with a single dipole kick followed by a single quadrupole kick. They have been used to measure diffusion in hadron beams and have other diagnostic capabilities. Here we develop theories of the transverse echo nonlinear in both the dipole and quadrupole kick strengths. The theories predict the maximum echo amplitudes and the optimum strength parameters. We find that the echo amplitude increases with smaller beam emittance and the asymptotic echo amplitude can exceed half the initial dipole kick amplitude. We show that multiple echoes can be observed provided the dipole kick is large enough.more » The spectrum of the echo pulse can be used to determine the nonlinear detuning parameter with small amplitude dipole kicks. Simulations are performed to check the theoretical predictions. In the useful ranges of dipole and quadrupole strengths, they are shown to be in reasonable agreement.« less

Shape Phase Transition from Octupole Deformation to Octupole Vibrations: The Analytic Quadrupole Octupole Axially Symmetric Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonatsos, Dennis; Lenis, D.; Petrellis, D.

An analytic collective model in which the relative presence of the quadrupole and octupole deformations is determined by a parameter ({phi}0), while axial symmetry is obeyed, is developed. The model [to be called the Analytic Quadrupole Octupole Axially symmetric model (AQOA)] involves an infinite well potential, provides predictions for energy and B(EL) ratios which depend only on {phi}0, draws the border between the regions of octupole deformation and octupole vibrations in an essentially parameter-independent way, and in the actinide region describes well 226Th and 226Ra, for which experimental energy data are shown to suggest that they lie close to thismore » border. The similarity of the AQOA results with {phi}0 = 45 deg. for ground state band spectra and B(E2) transition rates to the predictions of the X(5) model is pointed out.« less

Charge Dependence and Electric Quadrupole Effects on Single-Nucleon Removal in Relativistic and Intermediate Energy Nuclear Collisions

NASA Technical Reports Server (NTRS)

Norbury, John W.

1992-01-01

Single nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

Charge dependence and electric quadrupole effects on single-nucleon removal in relativistic and intermediate energy nuclear collisions

NASA Technical Reports Server (NTRS)

Norbury, J. W.; Townsend, L. W. (Principal Investigator)

1990-01-01

Single-nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

Simple Model for the Benzene Hexafluorobenzene Interaction

DOE PAGES

Tillack, Andreas F.; Robinson, Bruce H.

2017-06-05

While the experimental intermolecular distance distribution functions of pure benzene and pure hexafluorobenzene are well described by transferable all-atom force fields, the interaction between the two molecules (in a 1:1 mixture) is not well simulated. We demonstrate that the parameters of the transferable force fields are adequate to describe the intermolecular distance distribution if the charges are replaced by a set of charges that are not located at the atoms. Here, the simplest model that well describes the experimental distance distribution, between benzene and hexafluorobenzene, is that of a single ellipsoid for each molecule, representing the van der Waals interactions,more » and a set of three point charges (on the axis perpendicular to the arene plane) which give the same quadrupole moment as do the all atom charges from the transferable force fields.« less

Simple Model for the Benzene Hexafluorobenzene Interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tillack, Andreas F.; Robinson, Bruce H.

While the experimental intermolecular distance distribution functions of pure benzene and pure hexafluorobenzene are well described by transferable all-atom force fields, the interaction between the two molecules (in a 1:1 mixture) is not well simulated. We demonstrate that the parameters of the transferable force fields are adequate to describe the intermolecular distance distribution if the charges are replaced by a set of charges that are not located at the atoms. Here, the simplest model that well describes the experimental distance distribution, between benzene and hexafluorobenzene, is that of a single ellipsoid for each molecule, representing the van der Waals interactions,more » and a set of three point charges (on the axis perpendicular to the arene plane) which give the same quadrupole moment as do the all atom charges from the transferable force fields.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ambrosio, G.; Chlachidze, G.; Wanderer, P.

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 addressmore » them are also presented and discussed.« less

CESR Upgrade: Plans and Recent Performance

NASA Astrophysics Data System (ADS)

Rogers, Joseph T.

1996-05-01

We are now in the second phase of a program to substantially upgrade the luminosity of the CESR e^+ e^- collider by increasing the number of stored bunches. In the first phase, completed in 1995, we progressed from collisions of beams of 7 bunches to beams of 9 trains of two bunches each, achieving a record luminosity of 3.2 × 10^32 cm-2s-1. To avoid unwanted collisions at each side of the interaction point, we electrostatically separate the beams on antisymmetric orbits, with a ± 2.1 mrad crossing angle at the interaction point. For the second phase we have altered the interaction region quadrupole magnets to increase the physical aperture and to reduce the maximum horizontal β in this region. We plan to store 9 trains of 3 bunches in the second phase, and anticipate a luminosity of 6 × 10^32 cm-2s-1. In the third phase installation, to begin in late 1997, we will replace the interaction region quadrupoles with a combination of a permanent magnet quadrupole and superconducting quadrupole pair on each side of the interaction point, which will further reduce the β functions throughout the interaction region and at the interaction point. To accomodate the higher currents we will replace each of the four 5-cell copper RF cavities with a single-cell superconducting cavity. In this phase we expect to achieve a luminosity in excess of 10^33 cm-2s-1 with 9 trains of 5 bunches. Recent development work includes the successful test of a superconducting RF cavity in CESR, installation of low-impedance electrostatic separators, upgrades to the vacuum system, a fast digital transverse feedback system, and new beam diagnostics. Recent studies have revealed the effects of collision at a crossing angle, the behavior of the long range beam-beam interaction at parasitic crossings, and the relationship of the dominant multibunch instability to photoemission in the beam chamber.

Information technology in chemistry research and education: Part I. Ab initio studies on the hydrolysis of aromatic diazonium ions. Part II. Theoretical study and molecular modeling of non-covalent interactions. Part III. Applying information technology in chemistry education

NASA Astrophysics Data System (ADS)

Wu, Zhengyu

Part I of this dissertation studies the bonding in chemical reactions, while Part II studies the bonding related to inter- and intra-molecular interactions. Part III studies the application of IT technology in chemistry education. Part I of this dissertation (chapter 1 and chapter 2) focuses on the theoretical studies on the mechanism of the hydrolysis reactions of benzenediazonium ion and guaninediazonium ion. The major conclusion is that in hydrolysis reactions the "unimolecular mechanism" actually has to involve the reacting solvent molecule. Therefore, the unimolecular pathway can only serve as a conceptual model but will not happen in the reality. Chapter I concludes that the hydrolysis reaction of benzenediazonium ion takes the direct SN2Ar mechanism via a transition state but without going through a pre-coordination complex. Chapter 2 concludes that the formation of xanthine from the dediazoniation reaction of guaninediazonium ion in water takes the SN2Ar pathway without a transition state. And oxanine might come from an intermediate formed by the bimolecular deprotonation of the H atom on N3 of guaninediazonium ion synchronized with the pyrimidine ring opening reaction. Part II of this dissertation includes chapters 3, 4, and 5. Chapter 3 studies the quadrupole moment of benzene and quadrupole-quadrupole interactions. We concluded that the quadrupole-quadrupole interaction is important in the arene-arene interactions. Our study shows the most stable structure of benzene dimer is the point-to-face T-shaped structure. Chapter 4 studies the intermolecular interactions that result in the disorder of the crystal of 4-Chloroacetophenone-(4-methoxyphenylethylidene). We analyzed all the nearest neighbor interactions within that crystal and found that the crystal structure is determined by its thermo-dynamical properties. Our calculation perfectly reproduced the percentage of parallel-alignment of the crystal. Part III of this dissertation is focused on the application of database management system and computer technology on chemistry education. A database-supported webtool was developed to support the creation of news portfolio and peer reviews online. The responses to an in-class survey show that students embrace the use of this webtool for its conceptually clear design and its easiness of use.

Strong competition between ΘI I-loop-current order and d -wave charge order along the diagonal direction in a two-dimensional hot spot model

NASA Astrophysics Data System (ADS)

de Carvalho, Vanuildo S.; Kloss, Thomas; Montiel, Xavier; Freire, Hermann; Pépin, Catherine

2015-08-01

We study the fate of the so-called ΘI I-loop-current order that breaks both time-reversal and parity symmetries in a two-dimensional hot spot model with antiferromagnetically mediated interactions, using Fermi surfaces relevant to the phenomenology of the cuprate superconductors. We start from a three-band Emery model describing the hopping of holes in the CuO2 plane that includes two hopping parameters tp p and tp d, local onsite Coulomb interactions Ud and Up, and nearest-neighbor Vp d couplings between the fermions in the copper [Cu (3 dx2-y2) ] and oxygen [O (2 px) and O (2 py)] orbitals. By focusing on the lowest-energy band, we proceed to decouple the local interaction Ud of the Cu orbital in the spin channel using a Hubbard-Stratonovich transformation to arrive at the interacting part of the so-called spin-fermion model. We also decouple the nearest-neighbor interaction Vp d to introduce the order parameter of the ΘI I-loop-current order. In this way, we are able to construct a consistent mean-field theory that describes the strong competition between the composite order parameter made of a quadrupole-density wave and d -wave pairing fluctuations proposed in Efetov et al. [Nat. Phys. 9, 442 (2013), 10.1038/nphys2641] with the ΘI I-loop-current order parameter that is argued to be relevant for explaining important aspects of the physics of the pseudogap phase displayed in the underdoped cuprates.

Jupiter's Magnetic Field. Magnetosphere, and Interaction with the Solar Wind: Pioneer 11.

PubMed

Smith, E J; Davis, L; Jones, D E; Coleman, P J; Colburn, D S; Dyal, P; Sonett, C P

1975-05-02

The Pioneer 11 vector helium magnetometer provided precise, contititious measurements of the magnetic fields in interplanetary space, inside Jupiter's magnetosphere, and in the near vicinity of Jupiter. As with the Pioneer 10 data, evidence was seen of the dynanmic interaction of Jupiter with the solar wind which leads to a variety of phenomena (bow shock, upstream waves, nonlinear magnetosheath impulses) and to changes in the dimension of the dayside magnetosphere by as much as a factor of 2. The magnetosphere clearly appears to be blunt, not disk-shaped, with a well-defined outer boundary. In the outer magnetosphere, the magnetic field is irregular but exhibits a persistent southward component indicative of a closed magnetosphere. The data contain the first clear evidence in the dayside magnetosphere of the current sheet, apparently associated with centrifugal forces, that was a donminatnt feature of the outbound Pionieer 10 data. A modest westward spiraling of the field was again evident inbound but not outbound at higher latitudes and nearer the Sun-Jupiter direction. Measurements near periapsis, which were nearer the planet and provide better latitude and longitude coverage than Pioneer 10, have revealed a 5 percent discrepancy with the Pioneer 10 offset dipole mnodel (D(2)). A revised offset dipole (6-parameter fit) is presented as well as the results of a spherical harmonic analysis (23 parameters) consisting of an interior dipole, quadrupole, and octopole and an external dipole and quadrupole. The dipole moment and the composite field appear moderately larger than inferred from Pioneer 10. Maximum surface fields of 14 and 11 gauss in the northern and southern hemispheres are inferred. Jupiter's planetary field is found to be slightly more irregular than that of Earth.

Microwave Spectra of the Two Conformers of PROPENE-3-{d}_1 and a Semiexperimental Equilibrium Structure of Propene

NASA Astrophysics Data System (ADS)

Craig, Norman C.; Demaison, J.; Rudolph, Heinz Dieter; Gurusinghe, Ranil M.; Tubergen, Michael; Coudert, L. H.; Szalay, Peter; Császár, Attila

2017-06-01

FT microwave spectra have been observed and analyzed for the S (in-plane) and A (out-of-plane) conformers of propene-3-{d}_1 in the 10-22 GHz region. Both conformers display splittings due to deuterium quadrupole coupling; for the latter one only, a 19 MHz splitting due to internal rotation of the partially deuterated methyl group has been observed. In addition to rotational constants, the analysis yielded quadrupole coupling constants and parameters describing the tunneling splitting and its rotational dependence. Improved rotational constants for parent propene and the three ^{13}C_1 species are recently available. Use of vibration-rotation interaction constants computed at the MP2(FC)/cc-pVTZ level gave equilibrium rotational constants for these six species and for fourteen more deuterium isotopologues with diminished accuracy from early literature data. A semiexperimental equilibrium structure, r_e^{SE}, has been determined for propene by fitting fourteen structural parameters to the equilibrium rotational constants. The new r_e^{SE} structure compares well with an ab initio equilibrium structure computed with the all-electron CCSD(T)/cc-pV(Q,T)Z model and with a structure obtained using the mixed regression method with predicates and equilibrium rotational constants. N. C. Craig, P. Groner, A. R. Conrad, R. Gurusinghe, M. J. Tubergen J. Mol. Spectrosc. 248, 1-6 (2016).

Nuclear quadrupole resonance lineshape analysis for different motional models: Stochastic Liouville approach

NASA Astrophysics Data System (ADS)

Kruk, D.; Earle, K. A.; Mielczarek, A.; Kubica, A.; Milewska, A.; Moscicki, J.

2011-12-01

A general theory of lineshapes in nuclear quadrupole resonance (NQR), based on the stochastic Liouville equation, is presented. The description is valid for arbitrary motional conditions (particularly beyond the valid range of perturbation approaches) and interaction strengths. It can be applied to the computation of NQR spectra for any spin quantum number and for any applied magnetic field. The treatment presented here is an adaptation of the "Swedish slow motion theory," [T. Nilsson and J. Kowalewski, J. Magn. Reson. 146, 345 (2000), 10.1006/jmre.2000.2125] originally formulated for paramagnetic systems, to NQR spectral analysis. The description is formulated for simple (Brownian) diffusion, free diffusion, and jump diffusion models. The two latter models account for molecular cooperativity effects in dense systems (such as liquids of high viscosity or molecular glasses). The sensitivity of NQR slow motion spectra to the mechanism of the motional processes modulating the nuclear quadrupole interaction is discussed.

Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids

NASA Astrophysics Data System (ADS)

Chu, Huiying; Peng, Xiangda; Li, Yan; Zhang, Yuebin; Min, Hanyi; Li, Guohui

2018-04-01

A polarizable atomic multipole-based force field for the membrane bilayer models 1,2-dioleoyl-phosphocholine (DOPC) and 1-palmitoyl-2-oleoyl-phosphatidylethanolamine (POPE) has been developed. The force field adopts the same framework as the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) model, in which the charge distribution of each atom is represented by the permanent atomic monopole, dipole and quadrupole moments. Many-body polarization including the inter- and intra-molecular polarization is modelled in a consistent manner with distributed atomic polarizabilities. The van der Waals parameters were first transferred from existing AMOEBA parameters for small organic molecules and then optimised by fitting to ab initio intermolecular interaction energies between models and a water molecule. Molecular dynamics simulations of the two aqueous DOPC and POPE membrane bilayer systems, consisting of 72 model molecules, were then carried out to validate the force field parameters. Membrane width, area per lipid, volume per lipid, deuterium order parameters, electron density profile, etc. were consistent with experimental values.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 builtmore » 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.« less

Influence of the Pauli exclusion principle and the polarization of nuclei on the nuclear part of the interaction potential in the 40Ca +40Ca system

NASA Astrophysics Data System (ADS)

Nesterov, V. O.

2018-06-01

In the framework of the energy density method with the use of the wave function of the two-center shell model, the influence of the simultaneous account for the Pauli exclusion principle and the monopole and quadrupole polarizations of nuclei on the nuclear part of the potential of their interaction by the example of the 40Ca +40Ca system is considered. The calculations performed in the framework of the adiabatic approximation show that the consideration of the Pauli exclusion principle and the polarization of nuclei, especially the quadrupole one, essentially affects the nucleus-nucleus interaction potential.

Mass peak shape improvement of a quadrupole mass filter when operating with a rectangular wave power supply.

PubMed

Luo, Chan; Jiang, Dan; Ding, Chuan-Fan; Konenkov, Nikolai V

2009-09-01

Numeric experiments were performed to study the first and second stability regions and find the optimal configurations of a quadrupole mass filter constructed of circular quadrupole rods with a rectangular wave power supply. The ion transmission contours were calculated using ion trajectory simulations. For the first stability region, the optimal rod set configuration and the ratio r/r(0) is 1.110-1.115; for the second stability region, it is 1.128-1.130. Low-frequency direct current (DC) modulation with the parameters of m = 0.04-0.16 and nu = omega/Omega = 1/8-1/14 improves the mass peak shape of the circular rod quadrupole mass filter at the optimal r/r(0) ratio of 1.130. The amplitude modulation does not improve mass peak shape. Copyright (c) 2009 John Wiley & Sons, Ltd.

Nanofocusing of structured light for quadrupolar light-matter interactions.

PubMed

Sakai, Kyosuke; Yamamoto, Takeaki; Sasaki, Keiji

2018-05-17

The spatial structure of an electromagnetic field can determine the characteristics of light-matter interactions. A strong gradient of light in the near field can excite dipole-forbidden atomic transitions, e.g., electric quadrupole transitions, which are rarely observed under plane-wave far-field illumination. Structured light with a higher-order orbital angular momentum state may also modulate the selection rules in which an atom can absorb two quanta of angular momentum: one from the spin and another from the spatial structure of the beam. Here, we numerically demonstrate a strong focusing of structured light with a higher-order orbital angular momentum state in the near field. A quadrupole field was confined within a gap region of several tens of nanometres in a plasmonic tetramer structure. A plasmonic crystal surrounding the tetramer structure provides a robust antenna effect, where the incident structured light can be strongly coupled to the quadrupole field in the gap region with a larger alignment tolerance. The proposed system is expected to provide a platform for light-matter interactions with strong multipolar effects.

Clustering fossils in solid inflation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akhshik, Mohammad, E-mail: m.akhshik@ipm.ir

In solid inflation the single field non-Gaussianity consistency condition is violated. As a result, the long tenor perturbation induces observable clustering fossils in the form of quadrupole anisotropy in large scale structure power spectrum. In this work we revisit the bispectrum analysis for the scalar-scalar-scalar and tensor-scalar-scalar bispectrum for the general parameter space of solid. We consider the parameter space of the model in which the level of non-Gaussianity generated is consistent with the Planck constraints. Specializing to this allowed range of model parameter we calculate the quadrupole anisotropy induced from the long tensor perturbations on the power spectrum ofmore » the scalar perturbations. We argue that the imprints of clustering fossil from primordial gravitational waves on large scale structures can be detected from the future galaxy surveys.« less

Compensation of orbit distortion due to quadrupole motion using feed-forward control at KEK ATF

NASA Astrophysics Data System (ADS)

Bett, D. R.; Charrondière, C.; Patecki, M.; Pfingstner, J.; Schulte, D.; Tomás, R.; Jeremie, A.; Kubo, K.; Kuroda, S.; Naito, T.; Okugi, T.; Tauchi, T.; Terunuma, N.; Burrows, P. N.; Christian, G. B.; Perry, C.

2018-07-01

The high luminosity requirement for a future linear collider sets a demanding limit on the beam quality at the Interaction Point (IP). One potential source of luminosity loss is the motion of the ground itself. The resulting misalignments of the quadrupole magnets cause distortions to the beam orbit and hence an increase in the beam emittance. This paper describes a technique for compensating this orbit distortion by using seismometers to monitor the misalignment of the quadrupole magnets in real-time. The first demonstration of the technique was achieved at the Accelerator Test Facility (ATF) at KEK in Japan. The feed-forward system consisted of a seismometer-based quadrupole motion monitoring system, an FPGA-based feed-forward processor and a stripline kicker plus associated electronics. Through the application of a kick calculated from the position of a single quadruple, the system was able to remove about 80% of the component of the beam jitter that was correlated to the motion of the quadrupole. As a significant fraction of the orbit jitter in the ATF final focus is due to sources other than quadrupole misalignment, this amounted to an approximately 15% reduction in the absolute beam jitter.

1H NMR relaxometry and quadrupole relaxation enhancement as a sensitive probe of dynamical properties of solids—[C(NH2)3]3Bi2I9 as an example

NASA Astrophysics Data System (ADS)

Florek-Wojciechowska, M.; Wojciechowski, M.; Jakubas, R.; Brym, Sz.; Kruk, D.

2016-02-01

1H nuclear magnetic resonance relaxometry has been applied to reveal information on dynamics and structure of Gu3Bi2I9 ([Gu = C(NH2)3] denotes guanidinium cation). The data have been analyzed in terms of a theory of quadrupole relaxation enhancement, which has been extended here by including effects associated with quadrupole (14N) spin relaxation caused by a fast fluctuating component of the electric field gradient tensor. Two motional processes have been identified: a slow one occurring on a timescale of about 8 × 10-6 s which has turned out to be (almost) temperature independent, and a fast process in the range of 10-9 s. From the 1H-14N relaxation contribution (that shows "quadrupole peaks") the quadrupole parameters, which are a fingerprint of the arrangement of the anionic network, have been determined. It has been demonstrated that the magnitude of the quadrupole coupling considerably changes with temperature and the changes are not caused by phase transitions. At the same time, it has been shown that there is no evidence of abrupt changes in the cationic dynamics and the anionic substructure upon the phase transitions.

The SLAC linac as used in the SLC collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seeman, J.T.; Abrams, G.; Adolphsen, C.

The linac of the SLAC Linear Collider (SLC) must accelerate three high intensity bunches on each linac pulse from 1.2 GeV to 50 GeV with minimal increase of the small transverse emittance. The procedures and adjustments used to obtain this goal are outlined. Some of the accelerator parameters and components which interact are the beam energy, transverse position, component alignment, RF manipulation, feedback systems, quadrupole lattice, BNS damping, energy spectra, phase space matching, collimation, instrumentation and modelling. The method to bring these interdependent parameters collectively into specification has evolved over several years. This review is ordered in the sequence whichmore » is used to turn on the linac from a cold start and produce acceptable beams for the final focus and collisions. Approximate time estimates for the various activities are given. 21 refs.« less

Leakage of power from dipole to higher multipoles due to non-symmetric beam shape of the CMB missions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Santanu; Souradeep, Tarun, E-mail: santanud@iucaa.ernet.in, E-mail: tarun@iucaa.ernet.in

2015-05-01

A number of studies of WMAP and Planck claimed the low multipole (specially quadrupole) power deficiency in CMB power spectrum. Anomaly in the orientations of the low multipoles have also been claimed. There is a possibility that the power deficiency at low multipoles may not be of primordial origin and is only an observation artifact coming from the scan procedure adapted in the WMAP or Planck satellites. Therefore, it is always important to investigate all the observational artifacts that can mimic them. The CMB dipole which is much higher than the quadrupole can leak to the higher multipoles due tomore » the non-symmetric beam shape of the WMAP or Planck. We observe that a non-negligible amount of power from the dipole can get transferred to the quadrupole and the higher multipoles due to the non-symmetric beam shapes and contaminate the observed measurements. The orientation of the quadrupole generated by this power transfer is surprisingly very close to the quadrupole observed from the WMAP and Planck maps. However, our analysis shows that the orientation of the quadrupole can not be explained using only the dipole power leakage. In this paper we calculate the amount of quadrupole power leakage for different WMAP bands. For Planck we present the results in terms of upper limits on asymmetric beam parameters that can lead to significant amount of power leakage.« less

Wave functions of the Q .Q interaction in terms of unitary 9-j coefficients

NASA Astrophysics Data System (ADS)

Zamick, Larry; Harper, Matthew

2015-03-01

We obtain wave functions for two protons and two neutrons in the g9 /2 shell expressed as column vectors with amplitudes D (Jp,Jn) . When we use a quadrupole-quadrupole interaction (Q .Q ) we get, in many cases, a very strong overlap with wave functions given by a single set of unitary 9-j coefficients—U 9 j =<(jj ) 2 j(jjJB|(jj ) Jp(jj ) Jn) I> . Here JB=9 for even I T =0 states. For both even and odd T =1 states we take JB equal to 8 whilst for odd I ,T =0 we take JB to be 7. We compare the Q .Q results with those of a more realistic interaction.

Study of the 190Hg Nucleus: Testing the Existence of U(5) Symmetry

NASA Astrophysics Data System (ADS)

Jahangiri Tazekand, Z.; Mohseni, M.; Mohammadi, M. A.; Sabri, H.

2018-06-01

In this paper, we have considered the energy spectra, quadrupole transition probabilities, energy surface, charge radii, and quadrupole moment of the190Hg nucleus to describe the interplay between phase transitions and configuration mixing of intruder excitations. To this aim, we have used four different formalisms: (i) interacting boson model including configuration mixing, (ii) Z(5) critical symmetry, (iii) U(6)-based transitional Hamiltonian, and (iv) a transitional interacting boson model Hamiltonian in both interacting boson model (IBM)-1 and IBM-2 versions which are based on affine \\widehat{SU(1,1)} Lie algebra. Results show the advantages of configuration mixing and transitional Hamiltonians, in particular IBM-2 formalism, to reproduce the experimental counterparts when the weight of spherical symmetry increased.

Modified quadrupole mass analyzer RGA-100 for beam plasma research in forevacuum pressure range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolotukhin, D. B.; Tyunkov, A. V.; Yushkov, Yu. G., E-mail: yuyushkov@gmail.com

2015-12-15

The industrial quadrupole RGA-100 residual gas analyzer was modified for the research of electron beam-generated plasma at forevacuum pressure range. The standard ionizer of the RGA-100 was replaced by three electrode extracting unit. We made the optimization of operation parameters in order to provide the maximum values of measured currents of any ion species. The modified analyzer was successfully tested with beam plasma of argon, nitrogen, oxygen, and hydrocarbons.

Summary of Test Results of MQXFS1 - The First Short Model 150 mm Aperture $$Nb_3Sn$$ Quadrupole for the High-Luminosity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoynev, S.; et al.

The development ofmore » $$Nb_3Sn$$ 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.« less

14N Quadrupole Coupling in the Microwave Spectra of N-Vinylformamide

NASA Astrophysics Data System (ADS)

Kannengießer, Raphaela; Stahl, Wolfgang; Nguyen, Ha Vinh Lam; Bailey, William C.

2016-06-01

The microwave spectra of two conformers, trans and cis, of the title compound were recorded using two molecular beam Fourier transform microwave spectrometers operating in the frequency range 2 GHz to 40 GHz, and aimed at analysis of their 14N quadrupole hyperfine structures. Rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants (NQCCs) χaa and χbb - χcc, were all determined with very high accuracy. Two fits including 176 and 117 hyperfine transitions were performed for the trans and cis conformers, respectively. Standard deviations of both fits are close to the measurement accuracy of 2 kHz. The NQCCs of the two conformers are almost exactly the same, and are compared with values found for other saturated and unsaturated formamides. Complementary quantum chemical calculations - MP2/6-311++G(d,p) rotational constants, MP2/cc-pVTZ centrifugal distortion constants, and B3PW91/6-311+G(d,p)//MP2/6-311++G(d,p) nuclear quadrupole coupling constants - give spectroscopic parameters in excellent agreement with the experimental parameters. B3PW91/6-311+G(d,p) calculated electric field gradients, in conjunction with eQ/h = 4.599(12) MHz/a.u., yields more reliable NQCCs for formamides possessing conjugated π-electron systems than does the B3PW91/6-311+G(df,pd) model recommended in Ref., whereas this latter performs better for aliphatic formamides. We conclude from this that f-polarization functions on heavy atoms hinder rather than help with modeling of conjugated π-electron systems. W. C. Bailey, Chem. Phys., 2000, 252, 57 W. C. Bailey, Calculation of Nuclear Quadrupole Coupling Constants in Gaseous State Molecules, http://nqcc.wcbailey.net/index.html.

HYPERFINE STRUCTURES AND NUCLEAR MOMENTS OF Lu$sup 176$m, Br$sup 80$, Br$sup 80$m, AND I$sup 132$ (thesis)

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, M.B.

1962-09-01

The method of atomic-beam radiofrequency spectroscopy was used to determine some nuclear and atomic properties of Lu/sup 176m/, Br/sup 80/, Br/sup 80m/, and I/sup 132/. Hyperfine structure me asurements were raade to determine the magnetic dipole interaction constants and the electric quadrupole interaction constants of all these isotopes. Also the nuclear spin and the electronic g/sub J/ factor were measured for Lu/sup 176m/, and the nuclear magnetic dipole moments and the electric quadrupole moments for the isotopes were calculated. All results are listed. 62 references. (auth)

The quadrupole moments of some even–even nuclei around the mass of A ~ 80: {sup 68−80}Ge on the neighborhood of {sup 76−84}Kr and {sup 76−84}Se isotopes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoruk, Abdulkadir, E-mail: yorukabdulkadir@hotmail.com; Turkan, Nureddin, E-mail: nureddin.turkan@medeniyet.edu.tr

2016-09-15

We have carried out the calculation of the quadrupole moments Q(2{sub 1}{sup +}) and electromagnetic transition rates B(E2) of some levels within the framework of the interacting boson model for even-mass Ge nuclei. The presented predictions of the quadrupole moments and B(E2) ratios for Ge nuclei are compared with the results of some previous experimental and theoretical ones along with those of the neighboring Kr and Se isotopes and then it was seen that they agree well with the previous experimental and theoretical ones.

{sup 1}H NMR relaxometry and quadrupole relaxation enhancement as a sensitive probe of dynamical properties of solids—[C(NH{sub 2}){sub 3}]{sub 3}Bi{sub 2}I{sub 9} as an example

DOE Office of Scientific and Technical Information (OSTI.GOV)

Florek-Wojciechowska, M.; Wojciechowski, M.; Brym, Sz.

{sup 1}H nuclear magnetic resonance relaxometry has been applied to reveal information on dynamics and structure of Gu{sub 3}Bi{sub 2}I{sub 9} ([Gu = C(NH{sub 2}){sub 3}] denotes guanidinium cation). The data have been analyzed in terms of a theory of quadrupole relaxation enhancement, which has been extended here by including effects associated with quadrupole ({sup 14}N) spin relaxation caused by a fast fluctuating component of the electric field gradient tensor. Two motional processes have been identified: a slow one occurring on a timescale of about 8 × 10{sup −6} s which has turned out to be (almost) temperature independent, andmore » a fast process in the range of 10{sup −9} s. From the {sup 1}H-{sup 14}N relaxation contribution (that shows “quadrupole peaks”) the quadrupole parameters, which are a fingerprint of the arrangement of the anionic network, have been determined. It has been demonstrated that the magnitude of the quadrupole coupling considerably changes with temperature and the changes are not caused by phase transitions. At the same time, it has been shown that there is no evidence of abrupt changes in the cationic dynamics and the anionic substructure upon the phase transitions.« less

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, Herman

2016-09-01

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2, 5/2, 7/2, and 9/2. These results may be used to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Applications of NQR methods to studies of electronic structure in heavy element systems are proposed. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences, Heavy Element Chemistrymore » program.« less

Calculation of multicenter electric field gradient integrals over Slater-type orbitals using unsymmetrical one-range addition theorems.

PubMed

Guseinov, Israfil I; Görgün, Nurşen Seçkin

2011-06-01

The electric field induced within a molecule by its electrons determines a whole series of important physical properties of the molecule. In particular, the values of the gradient of this field at the nuclei determine the interaction of their quadrupole moments with the electrons. Using unsymmetrical one-range addition theorems introduced by one of the authors, the sets of series expansion relations for multicenter electric field gradient integrals over Slater-type orbitals in terms of multicenter charge density expansion coefficients and two-center basic integrals are presented. The convergence of the series is tested by calculating concrete cases for different values of quantum numbers, parameters and locations of orbitals.

47,49Ti NMR: hyperfine interactions in oxides and metals.

PubMed

Bastow, T J; Gibson, M A; Forwood, C T

1998-10-01

A 47,49Ti NMR characterisation is given of various polymorphs of TiO2 (anatase, rutile and brookite), Ti2O3, perovskites CaTiO3 and BaTiO3, FeTiO3, TiB2, titanium metal, the titanium aluminides Ti3Al, TiAl, TiAl2, TiAl3, and TiAg. Values of chemical or Knight shift, nuclear quadrupole coupling constant and asymmetry parameter were derived from the (1/2, -1/2) powder lineshapes. For TiB2, titanium metal, TiAl, and TiAl3, where +/- (1/2, 3/2), and higher satellite transitions were observed, a value for the axial component of the Knight shift was obtained.

The pharmacokinetic characters of simvastatin after co-administration with Shexiang Baoxin Pill in healthy volunteers' plasma.

PubMed

Tao, Jianfei; Jiang, Peng; Peng, Chengcheng; Li, Min; Liu, Runhui; Zhang, Weidong

2016-07-15

To investigate the effect of Shexiang Baoxin Pill (SBP), a tranditional Chinese medicine, on the pharmacokinetic (PK) parameters of simvastatin in healthy volunteers' plasma, a quantitative method was developed using an Agilent G6410A rapid performance liquid chromatography (RPLC) coupled with triple quadrupole mass spectrometry system. The established method was rapid with high extraction recovery and successfully applied for the determination of simvastatin in plasma of 16 healthy volunteers. The results demonstrated that the MRT(0-∞), T1/2 and Tmax value of simvastatin were significantly decreased, while the AUC(0-t) and Cmax values of smivastatin were increased by SBP. The pharmacokinetic study demonstrated that the metabolism parameters of simvastatin could be affected by SBP and the potential drug-drug interaction should be noted in the future clinical practice. Copyright © 2016 Elsevier B.V. All rights reserved.

Modelling non-linear effects of dark energy

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis

2018-04-01

We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.

An analytical study of double bend achromat lattice.

PubMed

Fakhri, Ali Akbar; Kant, Pradeep; Singh, Gurnam; Ghodke, A D

2015-03-01

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.

Moment of inertia, quadrupole moment, Love number of neutron star and their relations with strange-matter equations of state

NASA Astrophysics Data System (ADS)

Bandyopadhyay, Debades; Bhat, Sajad A.; Char, Prasanta; Chatterjee, Debarati

2018-02-01

We investigate the impact of strange-matter equations of state involving Λ hyperons, Bose-Einstein condensate of K- mesons and first-order hadron-quark phase transition on moment of inertia, quadrupole moment and tidal deformability parameter of slowly rotating neutron stars. All these equations of state are compatible with the 2 M_{solar} constraint. The main findings of this investigation are the universality of the I- Q and I -Love number relations, which are preserved by the EoSs including Λ hyperons and antikaon condensates, but broken in the presence of a first-order hadron-quark phase transition. Furthermore, it is also noted that the quadrupole moment approaches the Kerr value of a black hole for maximum-mass neutron stars.

A physical process of the radial acceleration of disc galaxies

NASA Astrophysics Data System (ADS)

Wilhelm, Klaus; Dwivedi, Bhola N.

2018-03-01

An impact model of gravity designed to emulate Newton's law of gravitation is applied to the radial acceleration of disc galaxies. Based on this model (Wilhelm et al. 2013), the rotation velocity curves can be understood without the need to postulate any dark matter contribution. The increased acceleration in the plane of the disc is a consequence of multiple interactions of gravitons (called `quadrupoles' in the original paper) and the subsequent propagation in this plane and not in three-dimensional space. The concept provides a physical process that relates the fit parameter of the acceleration scale defined by McGaugh et al. (2016) to the mean free path length of gravitons in the discs of galaxies. It may also explain the gravitational interaction at low acceleration levels in MOdification of the Newtonian Dynamics (MOND, Milgrom 1983, 1994, 2015, 2016). Three examples are discussed in some detail: the spiral galaxies NGC 7814, NGC 6503 and M 33.

Non-Linear Cosmological Power Spectra in Real and Redshift Space

NASA Technical Reports Server (NTRS)

Taylor, A. N.; Hamilton, A. J. S.

1996-01-01

We present an expression for the non-linear evolution of the cosmological power spectrum based on Lagrangian trajectories. This is simplified using the Zel'dovich approximation to trace particle displacements, assuming Gaussian initial conditions. The model is found to exhibit the transfer of power from large to small scales expected in self-gravitating fields. Some exact solutions are found for power-law initial spectra. We have extended this analysis into red-shift space and found a solution for the non-linear, anisotropic redshift-space power spectrum in the limit of plane-parallel redshift distortions. The quadrupole-to-monopole ratio is calculated for the case of power-law initial spectra. We find that the shape of this ratio depends on the shape of the initial spectrum, but when scaled to linear theory depends only weakly on the redshift-space distortion parameter, beta. The point of zero-crossing of the quadrupole, kappa(sub o), is found to obey a simple scaling relation and we calculate this scale in the Zel'dovich approximation. This model is found to be in good agreement with a series of N-body simulations on scales down to the zero-crossing of the quadrupole, although the wavenumber at zero-crossing is underestimated. These results are applied to the quadrupole-to-monopole ratio found in the merged QDOT plus 1.2-Jy-IRAS redshift survey. Using a likelihood technique we have estimated that the distortion parameter is constrained to be beta greater than 0.5 at the 95 percent level. Our results are fairly insensitive to the local primordial spectral slope, but the likelihood analysis suggests n = -2 un the translinear regime. The zero-crossing scale of the quadrupole is k(sub 0) = 0.5 +/- 0.1 h Mpc(exp -1) and from this we infer that the amplitude of clustering is sigma(sub 8) = 0.7 +/- 0.05. We suggest that the success of this model is due to non-linear redshift-space effects arising from infall on to caustic and is not dominated by virialized cluster cores. The latter should start to dominate on scales below the zero-crossing of the quadrupole, where our model breaks down.

Triaxial quadrupole dynamics and the inner fission barrier of some heavy even-even nuclei

NASA Astrophysics Data System (ADS)

Benrabia, K.; Medjadi, D. E.; Imadalou, M.; Quentin, P.

2017-09-01

Background: Inner fission barriers of actinide nuclei have been known for a long time to be unstable with respect to the axial symmetry. On the other hand, taking into account the effect of the relevant adiabatic mass parameter reduces or even may wash out this instability. A proper treatment of the dynamics for both axial and triaxial modes is thus crucial to accurately determine the corresponding fission barriers. This entails in particular an accurate description of pairing correlations. Purpose: We evaluate the potential energies, moments of inertia, and vibrational mass parameters in a two-dimensional relevant deformation space (corresponding to the usual β and γ quadrupole deformation parameters) for four actinide nuclei (236U, 240Pu, 248Cm, and 252Cf). We assess the relevance of our approach to describe the dynamics for a triaxial mode by computing the low energy spectra (exploring thus mainly the equilibrium deformation region). We evaluate the inner fission barrier heights releasing the axial symmetry constraint. Method: Calculations within the Hartree-Fock plus BCS approach are performed using the SkM* Skyrme effective interaction in the particle-hole channel and a seniority force in the particle-particle channel. The intensity of this residual interaction has been fixed to allow a good reproduction of some odd-even mass differences in the actinide region. Adiabatic mass parameters for the rotational and vibrational modes are calculated using the Inglis-Belyaev formula supplemented by a global renormalization factor taking into account the so-called Thouless-Valatin corrections. Spectra are obtained through the diagonalization of the corresponding Bohr collective Hamiltonian. Results: The experimental low energy spectra are qualitatively well reproduced by our calculations for the considered nuclei. Inner fission barrier heights are calculated and compared with available estimates from various experimental data. The reproduction of the data is better for 236U and 240Pu (up to about 300 keV) than for 248Cm and 252Cf (up to about one MeV). Conclusions: While these results are encouraging, they call for, in particular, a better treatment of pairing correlations, especially as far as the particle number conservation is concerned. Besides, these results could provide a basis for the determination of the least action trajectories which would generate better grounds for the evaluation of fission half lives.

Model for the dynamics of two interacting axisymmetric spherical bubbles undergoing small shape oscillations

PubMed Central

Kurihara, Eru; Hay, Todd A.; Ilinskii, Yurii A.; Zabolotskaya, Evgenia A.; Hamilton, Mark F.

2011-01-01

Interaction between acoustically driven or laser-generated bubbles causes the bubble surfaces to deform. Dynamical equations describing the motion of two translating, nominally spherical bubbles undergoing small shape oscillations in a viscous liquid are derived using Lagrangian mechanics. Deformation of the bubble surfaces is taken into account by including quadrupole and octupole perturbations in the spherical-harmonic expansion of the boundary conditions on the bubbles. Quadratic terms in the quadrupole and octupole amplitudes are retained, and surface tension and shear viscosity are included in a consistent manner. A set of eight coupled second-order ordinary differential equations is obtained. Simulation results, obtained by numerical integration of the model equations, exhibit qualitative agreement with experimental observations by predicting the formation of liquid jets. Simulations also suggest that bubble-bubble interactions act to enhance surface mode instability. PMID:22088009

Transverse phase space diagnostics for ionization injection in laser plasma acceleration using permanent magnetic quadrupoles

NASA Astrophysics Data System (ADS)

Li, F.; Nie, Z.; Wu, Y. P.; Guo, B.; Zhang, X. H.; Huang, S.; Zhang, J.; Cheng, Z.; Ma, Y.; Fang, Y.; Zhang, C. J.; Wan, Y.; Xu, X. L.; Hua, J. F.; Pai, C. H.; Lu, W.; Mori, W. B.

2018-04-01

We report the transverse phase space diagnostics for electron beams generated through ionization injection in a laser-plasma accelerator. Single-shot measurements of both ultimate emittance and Twiss parameters are achieved by means of permanent magnetic quadrupole. Beams with emittance of μm rad level are obtained in a typical ionization injection scheme, and the dependence on nitrogen concentration and charge density is studied experimentally and confirmed by simulations. A key feature of the transverse phase space, matched beams with Twiss parameter α T ≃ 0, is identified according to the measurement. Numerical simulations that are in qualitative agreement with the experimental results reveal that a sufficient phase mixing induced by an overlong injection length leads to the matched phase space distribution.

Transverse phase space diagnostics for ionization injection in laser plasma acceleration using permanent magnetic quadrupoles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, F.; Nie, Z.; Wu, Y. P.

We report the transverse phase space diagnostics for electron beams generated through ionization injection in a laser-plasma accelerator. Single-shot measurements of both ultimate emittance and Twiss parameters are achieved by means of permanent magnetic quadrupole. Beams with emittance of μm rad level are obtained in a typical ionization injection scheme, and the dependence on nitrogen concentration and charge density is studied experimentally and confirmed by simulations. A key feature of the transverse phase space, matched beams with Twiss parameter α T ≃ 0, is identified according to the measurement. Lastly, numerical simulations that are in qualitative agreement with the experimentalmore » results reveal that a sufficient phase mixing induced by an overlong injection length leads to the matched phase space distribution.« less

Transverse phase space diagnostics for ionization injection in laser plasma acceleration using permanent magnetic quadrupoles

DOE PAGES

Li, F.; Nie, Z.; Wu, Y. P.; ...

2018-02-22

We report the transverse phase space diagnostics for electron beams generated through ionization injection in a laser-plasma accelerator. Single-shot measurements of both ultimate emittance and Twiss parameters are achieved by means of permanent magnetic quadrupole. Beams with emittance of μm rad level are obtained in a typical ionization injection scheme, and the dependence on nitrogen concentration and charge density is studied experimentally and confirmed by simulations. A key feature of the transverse phase space, matched beams with Twiss parameter α T ≃ 0, is identified according to the measurement. Lastly, numerical simulations that are in qualitative agreement with the experimentalmore » results reveal that a sufficient phase mixing induced by an overlong injection length leads to the matched phase space distribution.« less

An integrated study of thermal treatment effects on the microstructure and magnetic properties of Zn-ferrite nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antic, Bratislav; Perovic, Marija; Kremenovic, Aleksandar

2015-09-30

The evolution of the magnetic state, crystal structure and microstructure parameters of nanocrystalline zinc–ferrite, tuned by thermal annealing of ~4 nm nanoparticles, was systematically studied by complementary characterization methods. Structural analysis of neutron and synchrotron x-ray radiation data revealed a mixed cation distribution in the nanoparticle samples, with the degree of inversion systematically decreasing from 0.25 in an as-prepared nanocrystalline sample to a non-inverted spinel structure with a normal cation distribution in the bulk counterpart. The results of DC magnetization and Mossbauer spectroscopy experiments indicated a superparamagnetic relaxation in ~4 nm nanoparticles, albeit with different freezing temperatures T f ofmore » 27.5 K and 46 K, respectively. The quadrupole splitting parameter decreases with the annealing temperature due to cation redistribution between the tetrahedral and octahedral sites of the spinel structure and the associated defects. DC magnetization measurements indicated the existence of significant interparticle interactions among nanoparticles (‘superspins’). Additional confirmation for the presence of interparticle interactions was found from the fit of the T f(H) dependence to the AT line, from which a value of the anisotropy constant of K eff = 5.6 × 10 5 erg cm -3 was deduced. Further evidence for strong interparticle interactions was found from AC susceptibility measurements, where the frequency dependence of the freezing temperature T f(ƒ) was satisfactory described by both Vogel–Fulcher and dynamic scaling theory, both applicable for interacting systems. The parameters obtained from these fits suggest collective freezing of magnetic moments at T f .« less

Comparative analysis of the heme iron electronic structure and stereochemistry in tetrameric rabbit hemoglobin and monomeric soybean leghemoglobin a using Mössbauer spectroscopy with a high velocity resolution

NASA Astrophysics Data System (ADS)

Alenkina, I. V.; Kumar, A.; Berkovsky, A. L.; Oshtrakh, M. I.

2018-02-01

A comparative study of tetrameric rabbit hemoglobin and monomeric soybean leghemoglobin a in the oxy- and deoxy-forms was carried out using 57Fe Mössbauer spectroscopy with a high velocity resolution in order to analyze the heme iron electronic structure and stereochemistry in relation to the Mössbauer hyperfine parameters. The Mössbauer spectra of tetrameric rabbit hemoglobin in both forms were fitted using two quadrupole doublets related to the 57Fe in ɑ- and β-subunits. In contrast, the Mössbauer spectra of monomeric soybean leghemoglobin a were fitted using: (i) two quadrupole doublets for the oxy-form related to two conformational states of the distal His E7 imidazole ring and different hydrogen bonding of oxygen molecule in the oxy-form and (ii) using three quadrupole doublets for deoxy-form related to three conformational states of the proximal His F8 imidazole ring. Small variations of Mössbauer hyperfine parameters related to small differences in the heme iron electronic structure and stereochemistry in tetrameric rabbit hemoglobin and monomeric soybean leghemoglobin a are discussed.

Relativity experiment on Helios - A status report

NASA Technical Reports Server (NTRS)

Anderson, J. D.; Melbourne, W. G.; Cain, D. L.; Lau, E. K.; Wong, S. K.; Kundt, W.

1975-01-01

The relativity experiment on Helios (Experiment 11) uses S-band and Doppler data, and spacecraft-solar-orbital data to measure the effects of general relativity in the solar system and the quadrupole moment in the solar gravitational field. Specifically, Experiment 11 is converned with measuring the following effects: (1) relativistic orbital corrections described by two parameters of the space-time metric which are both equal to unity in Einstein's theory; (2) orbital perturbations caused by a finite quadrupole moment of an oblate sun, described by zonal harmonics in the solar gravitational field.

Whither HFI/NQI?

NASA Astrophysics Data System (ADS)

Bharuth-Ram, K.

2013-05-01

A brief review is given of the Hyperfine Interactions Conference series and, in particular, of the Joint meetings of the Hyperfine Interactions and Nuclear Quadrupole Interaction (HFI/NQI) Conferences, with respect to number of participants, contributed papers and participant countries. Trends are traced and recommendations are offered to attract a wider participation at future HFI/NQI conferences.

The effective way

NASA Astrophysics Data System (ADS)

Fruchart, Michel; Vitelli, Vincenzo

2018-03-01

A theoretical framework for the design of so-called perturbative metamaterials, based on weakly interacting unit cells, has led to the experimental demonstration of a quadrupole topological insulator.

High-resolution molecular-beam spectroscopy of NaCN and Na 13CN

NASA Astrophysics Data System (ADS)

van Vaals, J. J.; Meerts, W. Leo; Dymanus, A.

The sodium cyanide molecule was studied by molecular-beam electric-resonance spectroscopy in the microwave region. We used the seeded-beam technique to produce a supersonic beam with strong translational, rotational and vibrational cooling. In the frequency range 9.5-40 GHz we observed and identified for NaCN 186 and for Na 13CN 107 hyperfine transitions in 20 and 16 rotational transitions, respectively, all in the ground vibrational state. The rotational, the five quartic and three sextic centrifugal distortion constants of NaCN are: A″ = 57921.954(7) MHz; B″ = 8369.312(2) MHz, C″ = 7272.712(2) MHz. All quadrupole and several spin-rotation coupling constants for the hyperfine interaction were evaluated. The quadrupole coupling constants (in MHz) for NaCN are: eQq12(Na) = -5.344(5), eQq12 = 2.397(7). eQq12(N) = 2.148(4), eQq12(N) = -4.142(5). From these constants and those of Na 13CN we have determined the principal components of the quadrupole coupling tensor for potassium and nitrogen. The structure of sodium cyanide evaluated from the rotational constants of NaCN and Na 13CN was found to be T shaped, similar to the structure of KCN but completely different from the linear isocyanide configuration of LiNC. The effective structural parameters for sodium cyanide in the ground vibrational state are: rCN = 1.170(4) Å, rNaC = 2.379(15) Å, rN12N = 2.233(15) Å, in gratifying agreement with ab initio calculations. Both the geometrical structure and the hyperfine coupling justify the conclusion that the CN group in gaseous sodium cyanide approximately can be considered as a free CN - ion.

Elastic and transition form factors of the Δ(1232)

DOE PAGES

Segovia, Jorge; Chen, Chen; Cloet, Ian C.; ...

2013-12-10

Predictions obtained with a confining, symmetry-preserving treatment of a vector Ⓧ vector contact interaction at leading-order in a widely used truncation of QCD’s Dyson–Schwinger equations are presented for Δ and Ω baryon elastic form factors and the γN → Δ transition form factors. This simple framework produces results that are practically indistinguishable from the best otherwise available, an outcome which highlights that the key to describing many features of baryons and unifying them with the properties of mesons is a veracious expression of dynamical chiral symmetry breaking in the hadron bound-state problem. The following specific results are of particular interest.more » The Δ elastic form factors are very sensitive to m Δ. Hence, given that the parameters which define extant simulations of lattice-regularised QCD produce Δ-resonance masses that are very large, the form factors obtained therewith are a poor guide to properties of the Δ(1232). Considering the Δ-baryon’s quadrupole moment, whilst all computations produce a negative value, the conflict between theoretical predictions entails that it is currently impossible to reach a sound conclusion on the nature of the Δ-baryon’s deformation in the infinite momentum frame. Furthermore, results for analogous properties of the Ω baryon are less contentious. In connection with the N → Δ transition, the Ash-convention magnetic transition form factor falls faster than the neutron’s magnetic form factor and nonzero values for the associated quadrupole ratios reveal the impact of quark orbital angular momentum within the nucleon and Δ; and, furthermore, these quadrupole ratios do slowly approach their anticipated asymptotic limits.« less

Spin coherent states phenomena probed by quantum state tomography in Zeeman perturbed nuclear quadrupole resonance

NASA Astrophysics Data System (ADS)

Teles, João; Auccaise, Ruben; Rivera-Ascona, Christian; Araujo-Ferreira, Arthur G.; Andreeta, José P.; Bonagamba, Tito J.

2018-07-01

Recently, we reported an experimental implementation of quantum information processing (QIP) by nuclear quadrupole resonance (NQR). In this work, we present the first quantum state tomography (QST) experimental implementation in the NQR QIP context. Two approaches are proposed, employing coherence selection by temporal and spatial averaging. Conditions for reduction in the number of cycling steps are analyzed, which can be helpful for larger spin systems. The QST method was applied to the study of spin coherent states, where the alignment-to-orientation phenomenon and the evolution of squeezed spin states show the effect of the nonlinear quadrupole interaction intrinsic to the NQR system. The quantum operations were implemented using a single-crystal sample of KClO3 and observing ^{35}Cl nuclei, which posses spin 3/2.

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

NASA Astrophysics Data System (ADS)

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.

Support Structure Design of the $$\\hbox{Nb}_{3}\\hbox{Sn}$$ Quadrupole for the High Luminosity LHC

DOE PAGES

Juchno, M.; Ambrosio, G.; Anerella, M.; ...

2014-10-31

New low-β quadrupole magnets are being developed within the scope of the High Luminosity LHC (HL-LHC) project in collaboration with the US LARP program. The aim of the HLLHC project is to study and implement machine upgrades necessary for increasing the luminosity of the LHC. The new quadrupoles, which are based on the Nb₃Sn superconducting technology, will be installed in the LHC Interaction Regions and will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. In this paper, we describe the design of the short model magnet support structure and discuss results of themore » detailed 3D numerical analysis performed in preparation for the first short model test.« less

Proton scattering by short lived sulfur isotopes

NASA Astrophysics Data System (ADS)

Maréchal, F.; Suomijärvi, T.; Blumenfeld, Y.; Azhari, A.; Bauge, E.; Bazin, D.; Brown, J. A.; Cottle, P. D.; Delaroche, J. P.; Fauerbach, M.; Girod, M.; Glasmacher, T.; Hirzebruch, S. E.; Jewell, J. K.; Kelley, J. H.; Kemper, K. W.; Mantica, P. F.; Morrissey, D. J.; Riley, L. A.; Scarpaci, J. A.; Scheit, H.; Steiner, M.

1999-09-01

Elastic and inelastic proton scattering has been measured in inverse kinematics on the unstable nucleus 40S. A phenomenological distorted wave Born approximation analysis yields a quadrupole deformation parameter β2=0.35+/-0.05 for the 2+1 state. Consistent phenomenological and microscopic proton scattering analyses have been applied to all even-even sulfur isotopes from A=32 to A=40. The second analysis used microscopic collective model densities and a modified Jeukenne-Lejeune-Mahaux nucleon-nucleon effective interaction. This microscopic analysis suggests the presence of a neutron skin in the heavy sulfur isotopes. The analysis is consistent with normalization values for λv and λw of 0.95 for both the real and imaginary parts of the Jeukenne-Lejeune-Mahaux potential.

Electrodynamical forbiddance of a strong quadrupole interaction in surface enhanced optical processes. Experimental confirmation of the existence in fullerene C{sub 60}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polubotko, A. M., E-mail: alex.marina@mail.ioffe.ru; Chelibanov, V. P., E-mail: Chelibanov@gmail.com

2017-02-15

It is demonstrated that in the SERS and SEIRA spectra of the fullerene C{sub 60}, the lines, which are forbidden in usual Raman and IR spectra and allowed in SERS and SEIRA, are absent. In addition the enhancement SERS coefficient in a single molecule detection regime is ~10{sup 8} instead of the value 10{sup 14}–10{sup 15}, characteristic for this phenomenon. These results are explained by the existence of so-called electrodynamical forbiddance of a strong quadrupole light-molecule interaction, which arises because of belonging of C{sup 60} to the icosahedral symmetry group and due to the electrodynamical law divE = 0.

Calculation of yrast spectra in the doubly even cadmium isotopes

NASA Astrophysics Data System (ADS)

Khosa, S. K.; Mattu, P. K.

1991-02-01

The observed systematics of the low-lying states in 98-110Cd nuclei and the high-spin yrast spectra with Jπmax<=14+ are examined by carrying out Hartree-Fock-Bogoliubov calculations employing a pairing-plus-quadrupole-quadrupole effective interaction operating in a reasonably large valence space outside an inert 80Zr core. Our calculations reveal that the systematics of the low-lying yrast states in 98-110Cd are intricately linked with the deformation producing tendency of the n-p interaction when operating between spin-orbit-partner (SOP) orbits. Our results indicate that such systematics depend crucially on the simultaneous increase of relative occupation probabilities of the (d5/2)-proton and (d3/2)-neutron orbits in the 98-100Cd isotopes.

Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salam, A., E-mail: salama@wfu.edu

2013-12-28

The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-orderedmore » diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.« less

Precision PEP-II optics measurement with an SVD-enhanced Least-Square fitting

NASA Astrophysics Data System (ADS)

Yan, Y. T.; Cai, Y.

2006-03-01

A singular value decomposition (SVD)-enhanced Least-Square fitting technique is discussed. By automatic identifying, ordering, and selecting dominant SVD modes of the derivative matrix that responds to the variations of the variables, the converging process of the Least-Square fitting is significantly enhanced. Thus the fitting speed can be fast enough for a fairly large system. This technique has been successfully applied to precision PEP-II optics measurement in which we determine all quadrupole strengths (both normal and skew components) and sextupole feed-downs as well as all BPM gains and BPM cross-plane couplings through Least-Square fitting of the phase advances and the Local Green's functions as well as the coupling ellipses among BPMs. The local Green's functions are specified by 4 local transfer matrix components R12, R34, R32, R14. These measurable quantities (the Green's functions, the phase advances and the coupling ellipse tilt angles and axis ratios) are obtained by analyzing turn-by-turn Beam Position Monitor (BPM) data with a high-resolution model-independent analysis (MIA). Once all of the quadrupoles and sextupole feed-downs are determined, we obtain a computer virtual accelerator which matches the real accelerator in linear optics. Thus, beta functions, linear coupling parameters, and interaction point (IP) optics characteristics can be measured and displayed.

Photonuclear absorption cross sections

NASA Technical Reports Server (NTRS)

Norbury, John W.

1989-01-01

Neutron multiplicity in photonuclear reactions; invariance of classical electromagnetism; momentum transfer models in ion collisions; cosmic ray electromagnetic interactions; quadrupole excitations in nucleus-nucleus collisons and Y-89 interactions with relativistic nuclei; and the Weizsacker-Williams theory for nucleon emission via electromagnetic excitations in nucleus-nucleus collisions are discussed.

Chemical interaction between Lilium brownii and Rhizoma Anemarrhenae, the herbal constituents of Baihe Zhimu decoction, by liquid chromatography coupled to hybrid triple quadrupole linear ion trap mass spectrometer.

PubMed

Yang, Bo; Liu, Zhirui; Wang, Qian; Xia, Peiyuan

2018-03-01

During the course of decoction, the components of herbal formula interact with each other, such that chemical extraction characteristics are altered. The crude drugs, Lilium brownii (Baihe) and Rhizoma Anemarrhenae (Zhimu), are the herbal constituents of Baihe Zhimu decoction, a traditional herbal formula. To investigate the chemical interaction between Baihe and Zhimu when decocting together, eight marker components in Baihe Zhimu decoction were simultaneously characterized and quantified in one run by a hybrid triple quadrupole linear ion trap mass spectrometer in the multiple reactions monitoring-information dependent acquisition-enhanced product ion mode. The results showed that Zhimu significantly suppressed the extraction of phenolic glycosides (the components from Baihe) when co-decocting, and Baihe clearly suppressed the extraction of xanthones and steroidal saponins (the components from Zhimu). Overall, the presently developed method would be a preferred candidate for the investigation of the chemical interaction between herbal medicines. Copyright © 2017 John Wiley & Sons, Ltd.

Modulated magnetic structure of F e3P O7 as seen by 57Fe Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Sobolev, A. V.; Akulenko, A. A.; Glazkova, I. S.; Pankratov, D. A.; Presniakov, I. A.

2018-03-01

The paper reports results of the 57Fe Mössbauer measurements on an F e3P O4O3 powder sample recorded at various temperatures, including the point of magnetic phase transition TN≈163 K . The spectra measured above TN consist of a quadrupole doublet with high quadrupole splitting of Δ300 K≈1.10 mm /s , emphasizing that F e3 + ions are located in crystal positions with a strong electric-field gradient (EFG). To predict the sign and orientation of the main components of the EFG tensor, we calculated the EFG using the density-functional-theory approach. In the temperature range T

Influence of Pt substitution on magnetic properties of multipolar ordering compounds Ce(Pd,Pt)3S4

NASA Astrophysics Data System (ADS)

Michimura, S.; Nishikawa, Ushio; Shimizu, Akihide; Kosaka, Masashi; Numakura, Ryosuke; Iizuka, Ryosuke; Katano, Susumu

2018-05-01

We have studied the magnetic properties of the multipolar ordering compounds Ce(Pd1-xPtx) 3S4 with 0.00 ≤ x ≤ 0.53 by means of magnetic susceptibility and magnetization measurements. In CePd3S4 , a simultaneous phase transition of the antiferro quadrupolar (AFQ) ordering and ferro magnetic (FM) ordering has been observed at 6.3 K. It has been suggested that the primary order parameter of CePd3S4 is the quadrupole moments, and it has not been understood why the FM ordering occurs at very high temperature which is almost the same magnetic transition temperature of GdPd3S4 . GdPd3S4 shows an antiferromagnetic (AFM) transition at 5.8 K. With increasing Pt substitution in CePd3S4 , the FM transition temperature TC (x) is rapidly suppressed to 2.4 K for x ≃ 0.3 and approaches asymptotically to 1.9 K (x = 0.53) . The results of magnetization curve suggest that the ordered state below TC (x) remains FM and AFQ ordered state for the whole range of x. For x ≥ 0.29 , TC (x) reaches at around 2 K, a new AFM transition was observed at TN (x) ≃ 7 K . We determined the T - x phase diagram, and discuss the phase transitions at TC (x) and TN (x) . The results suggest the possibility of the presence of the correlation between the magnetic interaction and the quadrupole interaction, and the correlation is not understood based on the previous multipolar model.

The 1.5 post-Newtonian radiative quadrupole moment in the context of a nonlocal field theory of gravity

NASA Astrophysics Data System (ADS)

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.

Gyroscopic effect in low-energy classical capture of a rotating quadrupolar diatom by an ion.

PubMed

Dashevskaya, Elena; Litvin, Iliya; Nikitin, Evgueni

2006-03-09

The low-energy capture of homonuclear diatoms by ions is due mainly to the long-range part of the interpartner potential with leading terms that correspond to charge-quadrupole interaction and charge-induced dipole interaction. The capture dynamics is described by the perturbed-rotor adiabatic potentials and the Coriolis interaction between manifold of states that belong to a given value of the intrinsic angular momentum. When the latter is large enough, it can noticeably affect the capture cross section calculated in the adiabatic channel approximation due to the gyroscopic property of a rotating diatom. This paper presents the low-energy (low-temperature) state-selected partial and mean capture cross sections (rate coefficients) for the charge-quadrupole interaction that include the gyroscopic effect (decoupling of intrinsic angular momentum from the collision axis), quantum correction for the diatom rotation, and the correction for the charge-induced dipole interaction. These results complement recent studies on the gyroscopic effect in the quantum regime of diatom-ion capture (Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J. J. Chem. Phys. 2004, 120, 9989-9997).

The Uses and Abuses of the Acoustic Analogy in Helicopter Rotor Noise Prediction

NASA Technical Reports Server (NTRS)

Farassat, F.; Brentner, Kenneth S.

1987-01-01

This paper is theoretical in nature and addresses applications of the acoustic analogy in helicopter rotor noise prediction. It is argued that in many instances the acoustic analogy has not been used with care in rotor noise studies. By this it is meant that approximate or inappropriate formulations have been used. By considering various mechanisms of noise generation, such abuses are identified and the remedy is suggested. The mechanisms discussed are thickness, loading, quadrupole, and blade-vortex interaction noise. The quadrupole term of the Ffowcs Williams-Hawkings equation is written in a new form which separates the contributions of regions of high gradients such as shock surfaces. It is shown by order of magnitude studies that such regions are capable of producing noise with the same directivity as the thickness noise. The inclusion of this part of quadrupole sources in current acoustic codes is quite practical. Some of the difficulties with the use of loading noise formulations of the first author in predictions of blade-vortex interaction noise are discussed. It appears that there is a need for development of new theoretical results based on the acoustic analogy in this area. Because of the impulsive character of the blade surface pressure, a time scale of integration different from that used in loading and thickness computations must he used in a computer code for prediction of blade-vortex interaction noise.

Consequences of a new experimental determination of the quadrupole moment of the sun for gravitation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moffat, J.W.

1983-03-07

A preliminary experimental determination by Hill, Bos and Goode of the interior rotation of the sun leads to a nonzero value for the quadrupole-moment coefficient J/sub 2/. This produces a deviation of 1.6% from Einstein's prediction of the precession of the perihelion of Mercury. A nonsymmetric gravitational theory can fit the measured precession with this J/sub 2/ and all other solar-system relativity experiments for one value of a post-Newtonian parameter in the theory. A prediction is made for the perihelion precession of Icarus.

Magnetic Measurements of the First Nb 3Sn Model Quadrupole (MQXFS) for the High-Luminosity LHC

DOE PAGES

DiMarco, J.; Ambrosio, G.; Chlachidze, G.; ...

2016-12-12

The US LHC Accelerator Research Program (LARP) and CERN are developing high-gradient Nb 3Sn magnets for the High Luminosity LHC interaction regions. Magnetic measurements of the first 1.5 m long, 150 mm aperture model quadrupole, MQXFS1, were performed during magnet assembly at LBNL, as well as during cryogenic testing at Fermilab’s Vertical Magnet Test Facility. This paper reports on the results of these magnetic characterization measurements, as well as on the performance of new probes developed for the tests.

New ortho-para conversion mechanism in dense solid hydrogen.

PubMed

Strzhemechny, M A; Hemley, R J

2000-12-25

Analysis of recent measurements of striking changes in the rate of ortho-para conversion of solid H(2) up to 58 GPa shows that the conversion mechanism must differ from that at ambient pressure. A new conversion mechanism is identified in which the emerging excitations are coupled to the converting molecules via electric quadrupole-quadrupole rather than nuclear spin-spin interactions. The latter only initiates conversion while the coupling enhancement associated with the new mechanism is ensured by high compression and a gap closing, with the conversion energy diminishing strongly with increasing pressure.

LHC interaction region quadrupole cryostat design

NASA Astrophysics Data System (ADS)

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

2002-05-01

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.

Multipolar universal relations between f -mode frequency and tidal deformability of compact stars

NASA Astrophysics Data System (ADS)

Chan, T. K.; Sham, Y.-H.; Leung, P. T.; Lin, L.-M.

2014-12-01

Though individual stellar parameters of compact stars usually demonstrate obvious dependence on the equation of state (EOS), EOS-insensitive universal formulas relating these parameters remarkably exist. In the present paper, we explore the interrelationship between two such formulas, namely the f -I relation connecting the f -mode quadrupole oscillation frequency ω2 and the moment of inertia I , and the I -Love-Q relations relating I , the quadrupole tidal deformability λ2, and the quadrupole moment Q , which have been proposed by Lau, Leung, and Lin [Astrophys. J. 714, 1234 (2010)] and Yagi and Yunes [Science 341, 365 (2013)], respectively. A relativistic universal relation between ωl and λl with the same angular momentum l =2 ,3 ,… , the so-called "diagonal f -Love relation" that holds for realistic compact stars and stiff polytropic stars, is unveiled here. An in-depth investigation in the Newtonian limit is further carried out to pinpoint its underlying physical mechanism and hence leads to a unified f -I -Love relation. We reach the conclusion that these EOS-insensitive formulas stem from a common physical origin—compact stars can be considered as quasiincompressible when they react to slow time variations introduced by f -mode oscillations, tidal forces and rotations.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates.

PubMed

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-07-28

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the "recombination" and "exchange" regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the "annihilation" regime. We find that the mechanism of the charge flipping in the "exchange" regime and the disappearance of the quadrupole structure in the "annihilation" regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution.

Sound radiation from a high speed axial flow fan due to the inlet turbulence quadrupole interaction

NASA Technical Reports Server (NTRS)

Goldstein, M. E.; Rosenbaum, B. M.; Albers, L. U.

1974-01-01

A formula is obtained for the total acoustic power spectra radiated out the front of the fan as a function of frequency. The formula involves the design parameters of the fan as well as the statistical properties of the incident turbulence. Numerical results are calculated for values of the parameters in the range of interest for quiet fans tested at the Lewis Research Center. As in the dipole analysis, when the turbulence correlation lengths become equal to the interblade spacing, the predicted spectra exhibit peaks around the blade passing frequency and its harmonics. There has recently been considerable conjecture about whether the stretching of turbulent eddies as they enter a stationary fan could result in the inlet turbulence being the dominant source of pure tones from nontranslating fans. The results of the current analysis show that, unless the turbulent eddies become quite elongated, this noise source contributes predominantly to the broadband spectrum.

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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.

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

PubMed

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 (R 2 = 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 (R 2 = 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. Graphical Abstract ᅟ.

Study of the rhizobacterium Azospirillum brasilense Sp245 using Mössbauer spectroscopy with a high velocity resolution: Implication for the analysis of ferritin-like iron cores

NASA Astrophysics Data System (ADS)

Alenkina, I. V.; Oshtrakh, M. I.; Tugarova, A. V.; Biró, B.; Semionkin, V. A.; Kamnev, A. A.

2014-09-01

The results of a comparative study of two samples of the rhizobacterium Azospirillum brasilense (strain Sp245) prepared in different conditions and of human liver ferritin using Mössbauer spectroscopy with a high velocity resolution demonstrated the presence of ferritin-like iron (i.e. iron similar to that found in ferritin-like proteins) in the bacterium. Mössbauer spectra of these samples were fitted in two ways: as a rough approximation using a one quadrupole doublet fit (the homogeneous iron core model) and using a superposition of quadrupole doublets (the heterogeneous iron core model). Both results demonstrated differences in the Mössbauer parameters for mammalian ferritin and for bacterial ferritin-like iron. Moreover, some differences in the Mössbauer parameters were observed between the two samples of A. brasilense Sp245 related to the differences in their preparation conditions.

Phase transition studied by 7Li nuclear magnetic resonance in LiXSO4 (X = K, Rb, Cs and NH4) single crystals

NASA Astrophysics Data System (ADS)

Lim, Ae Ran; Choh, Sung Ho; Jeong, Se-Young

2000-11-01

The temperature dependences of 7Li nuclear magnetic resonance in LiXSO4 (X = K, Rb, Cs, and NH4) single crystals grown by the slow evaporation method have been investigated by employing a Bruker FT NMR spectrometer. From the experimental data, the nuclear quadrupole constant, the asymmetry parameter and the principal axes of the EFG tensor were determined, and the results were compared with the crystal structure. The temperature dependences of the quadrupole parameters were explained with a single torsional mode of the Li-O bond by the Bayer theory. All the LiO4 tetrahedra in four different crystals showed torsional motion about the X-axis of the EFG tensor. Based on these results, the differences in atomic weight of X in the LiXSO4 single crystals are responsible for the differences in the torsional angular frequencies.

LARP Long Quadrupole: A "Long" Step Toward an LHC

ScienceCinema

Giorgio Ambrosio

2017-12-09

The beginning of the development of Nb3Sn magnets for particle accelerators goes back to the 1960’s. But only very recently has this development begun to face the challenges of fabricating Nb3Sn magnets which can meet the requirements of modern particle accelerators. LARP (the LHC Accelerator Research Program) is leading this effort focusing on long models of the Interaction Region quadrupoles for a possible luminosity upgrade of the Large Hadron Collider. A major milestone in this development is to test, by the end of 2009, 4m-long quadrupole models, which will be the first Nb3Sn accelerator-type magnets approaching the length of real accelerator magnets. The Long Quadrupoles (LQ) are “Proof-of-Principle” magnets which are to demonstrate that Nb3Sn technology is sufficiently mature for use in high energy particle accelerators. Their design is based on the LARP Technological Quadrupole (TQ) models, under development at FNAL and LBNL, which have design gradients higher than 200 T/m and an aperture of 90 mm. Several challenges must be addressed for the successful fabrication of long Nb3Sn coils and magnets. These challenges and the solutions adopted will be presented together with the main features of the LQ magnets. Several R&D lines are participating to this effort and their contributions will be also presented.

Are neutron stars crushed? Gravitomagnetic tidal fields as a mechanism for binary-induced collapse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Favata, Marc

Numerical simulations of binary neutron stars by Wilson, Mathews, and Marronetti indicated that neutron stars that are stable in isolation can be made to collapse to black holes when placed in a binary. This claim was surprising as it ran counter to the Newtonian expectation that a neutron star in a binary should be more stable, not less. After correcting an error found by Flanagan, Wilson and Mathews found that the compression of the neutron stars was significantly reduced but not eliminated. This has motivated us to ask the following general question: Under what circumstances can general-relativistic tidal interactions causemore » an otherwise stable neutron star to be compressed? We have found that if a nonrotating neutron star possesses a current-quadrupole moment, interactions with a gravitomagnetic tidal field can lead to a compressive force on the star. If this current quadrupole is induced by the gravitomagnetic tidal field, it is related to the tidal field by an equation-of-state-dependent constant called the gravitomagnetic Love number. This is analogous to the Newtonian Love number that relates the strength of a Newtonian tidal field to the induced mass quadrupole moment of a star. The compressive force is almost never larger than the Newtonian tidal interaction that stabilizes the neutron star against collapse. In the case in which a current quadrupole is already present in the star (perhaps as an artifact of a numerical simulation), the compressive force can exceed the stabilizing one, leading to a net increase in the central density of the star. This increase is small (< or approx. 1%) but could, in principle, cause gravitational collapse in a star that is close to its maximum mass. This paper also reviews the history of the Wilson-Mathews-Marronetti controversy and, in an appendix, extends the discussion of tidally induced changes in the central density to rotating stars.« less

First determination of ground state electromagnetic moments of Fe 53

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, A. J.; Minamisono, K.; Rossi, D. M.

Here, the hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ= –0.65(1)μ N and Q=+35(15)e 2fm 2, respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental valuesmore » agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full fp shell model space, which support the soft nature of the 56Ni nucleus.« less

Spontaneous structural distortion of the metallic Shastry-Sutherland system Dy B4 by quadrupole-spin-lattice coupling

NASA Astrophysics Data System (ADS)

Sim, Hasung; Lee, Seongsu; Hong, Kun-Pyo; Jeong, Jaehong; Zhang, J. R.; Kamiyama, T.; Adroja, D. T.; Murray, C. A.; Thompson, S. P.; Iga, F.; Ji, S.; Khomskii, D.; Park, Je-Geun

2016-11-01

Dy B4 has a two-dimensional Shastry-Sutherland (Sh-S) lattice with strong Ising character of the Dy ions. Despite the intrinsic frustrations, it undergoes two successive transitions: a magnetic ordering at TN=20 K and a quadrupole ordering at TQ=12.5 K . From high-resolution neutron and synchrotron x-ray powder diffraction studies, we have obtained full structural information on this material in all phases and demonstrate that structural modifications occurring at quadrupolar transition lead to the lifting of frustrations inherent in the Sh-S model. Our paper thus provides a complete experimental picture of how the intrinsic frustration of the Sh-S lattice can be lifted by the coupling to quadrupole moments. We show that two other factors, i.e., strong spin-orbit coupling and long-range Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in metallic Dy B4 , play an important role in this behavior.

First determination of ground state electromagnetic moments of Fe 53

DOE PAGES

Miller, A. J.; Minamisono, K.; Rossi, D. M.; ...

2017-11-16

Here, the hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ= –0.65(1)μ N and Q=+35(15)e 2fm 2, respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental valuesmore » agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full fp shell model space, which support the soft nature of the 56Ni nucleus.« less

A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis.

PubMed

Astani, Elahe K; Heshmati, Emran; Chen, Chun-Jung; Hadipour, Nasser L

2016-07-01

A theoretical study at the level of density functional theory (DFT) was performed to characterize noncovalent intermolecular interactions, especially hydrogen bond interactions, in the active site of enzyme human androsterone sulphotransferase (SULT2A1/ADT). Geometry optimization, interaction energy, (2)H, (14)N, and (17)O electric field gradient (EFG) tensors, (1)H, (13)C, (17)O, and (15)N chemical shielding (CS) tensors, Natural Bonding Orbital (NBO) analysis, and quantum theory of atoms in molecules (QTAIM) analysis of this active site were investigated. It was found that androsterone (ADT) is able to form hydrogen bonds with residues Ser80, Ile82, and His99 of the active site. The interaction energy calculations and NBO analysis revealed that the ADT molecule forms the strongest hydrogen bond with Ser80. Results revealed that ADT interacts with the other residues through electrostatic and Van der Waals interactions. Results showed that these hydrogen bonds influence on the calculated (2)H, (14)N, and (17)O quadrupole coupling constants (QCCs), as well as (1)H, (13)C, (17)O, and (15)N CS tensors. The magnitude of the QCC and CS changes at each nucleus depends directly on its amount of contribution to the hydrogen bond interaction. Copyright © 2016 Elsevier Inc. All rights reserved.

Effect of the magnetic dipole interaction on a spin-1 system

NASA Astrophysics Data System (ADS)

Hu, Fangqi; Jia, Wei; Zhao, Qing

2018-05-01

We consider a hybrid system composed of a spin-1 triplet coupled to a nuclear spin. We study the effect of the axisymmetric and the quadrupole term of the magnetic dipole interaction between the two electrons forming the triplet on the energy spectrum in a static magnetic field. The energy spectrum obtained by directly diagonalizing the Hamiltonian of the system shows that these two terms not only remove the special crossings that appear in the absence of the magnetic dipole interaction, but also produce new (avoided) crossings by lifting the relevant levels. Specially, the gaps between the avoided crossing levels increase with the strength of the quadrupole term. In order to accurately illustrate these effects, we present the results for the discriminant and von Neumann entropy of one electron interacting with the rest of the whole system. Finally, by numerically solving the time-dependent Schrödinger equations of the system, we discover that the polarization oscillation of electron and nuclear spin is in-phase and the total average longitudinal spin is not conserved at location of avoided crossing, but the two results are opposite beyond that.

The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2-AuCl

NASA Astrophysics Data System (ADS)

Obenchain, Daniel A.; Frank, Derek S.; Grubbs, G. S.; Pickett, Herbert M.; Novick, Stewart E.

2017-05-01

The pure rotational transitions of H2-AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer equipped with a laser ablation source. The structure was found to be T-shaped, with the H-H bond interacting with the gold atom. Both 35Cl and 37Cl isotopologues have been measured for both ortho and para states of H2. Rotational constants, quartic centrifugal distortion constants, and nuclear quadrupole coupling constants for gold and chlorine have been determined. The use of the nuclear spin-nuclear spin interaction terms Daa, Dbb, and Dcc for H2 were required to fit the ortho state of hydrogen, as well as a nuclear-spin rotation constant Caa. The values of the nuclear quadrupole coupling constant of gold are χa a=-817.9929 (35 ) MHz, χb b=504.0 (27 ) MHz, and χc c=314.0 (27 ) . This is large compared to the eQq of AuCl, 9.63 312(13) MHz, which indicates a strong, covalent interaction between gold and dihydrogen.

A METHOD TO EXTRACT THE REDSHIFT DISTORTION {beta} PARAMETER IN CONFIGURATION SPACE FROM MINIMAL COSMOLOGICAL ASSUMPTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tocchini-Valentini, Domenico; Barnard, Michael; Bennett, Charles L.

2012-10-01

We present a method to extract the redshift-space distortion {beta} parameter in configuration space with a minimal set of cosmological assumptions. We show that a novel combination of the observed monopole and quadrupole correlation functions can remove efficiently the impact of mild nonlinearities and redshift errors. The method offers a series of convenient properties: it does not depend on the theoretical linear correlation function, the mean galaxy density is irrelevant, only convolutions are used, and there is no explicit dependence on linear bias. Analyses based on dark matter N-body simulations and Fisher matrix demonstrate that errors of a few percentmore » on {beta} are possible with a full-sky, 1 (h {sup -1} Gpc){sup 3} survey centered at a redshift of unity and with negligible shot noise. We also find a baryonic feature in the normalized quadrupole in configuration space that should complicate the extraction of the growth parameter from the linear theory asymptote, but that does not have a major impact on our method.« less

Coil End Parts Development Using BEND and Design for MQXF by LARP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Miao; Ambrosio, G.; Bermudez, S. Izquierdo

2016-09-06

End parts are critical components for saddle-shaped coils. They have a structural function where the cables are deformed in order to cross over the magnet aperture. Based on the previous design of the US LARP program for 90 mm aperture quadrupoles (TQ/LQ) and 120 mm aperture quadrupoles (HQ/LHQ) using BEND, the coil ends of the low-β quadruples (MQXF) for the HiLumi LHC upgrade were developed. This paper shows the design of the MQXF coil ends, the analysis of the coil ends during the coil fabrication, the autopsy analysis of the coil ends and the feedback to BEND parameters.

Wetting, meniscus structure, and capillary interactions of microspheres bound to a cylindrical liquid interface.

PubMed

Kim, Paul Y; Dinsmore, Anthony D; Hoagland, David A; Russell, Thomas P

2018-03-14

Wetting, meniscus structure, and capillary interactions for polystyrene microspheres deposited on constant curvature cylindrical liquid interfaces, constructed from nonvolatile ionic or oligomeric liquids, were studied by optical interferometry and optical microscopy. The liquid interface curvature resulted from the preferential wetting of finite width lines patterned onto planar silicon substrates. Key variables included sphere diameter, nominal (or average) contact angle, and deviatoric interfacial curvature. Menisci adopted the quadrupolar symmetry anticipated by theory, with interfacial deformation closely following predicted dependences on sphere diameter and nominal contact angle. Unexpectedly, the contact angle was not constant locally around the contact line, the nominal contact angle varied among seemingly identical spheres, and the maximum interface deviation did not follow the predicted dependence on deviatoric interfacial curvature. Instead, this deviation was up to an order-of-magnitude larger than predicted. Trajectories of neighboring microspheres visually manifested quadrupole-quadrupole interactions, eventually producing square sphere packings that foreshadow interfacial assembly as a potential route to hierarchical 2D particle structures.

Modeling the physisorption of graphene on metals

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Tang, Hong; Patra, Abhirup; Bhattarai, Puskar; Perdew, John P.

2018-04-01

Many processes of technological and fundamental importance occur on surfaces. Adsorption is one of these phenomena that has received the most attention. However, it presents a great challenge to conventional density functional theory. Starting with the Lifshitz-Zaremba-Kohn second-order perturbation theory, here we develop a long-range van der Waals (vdW) correction for physisorption of graphene on metals. The model importantly includes quadrupole-surface interaction and screening effects. The results show that, when the vdW correction is combined with the Perdew-Burke-Enzerhof functional, it yields adsorption energies in good agreement with the random-phase approximation, significantly improving upon other vdW methods. We also find that, compared with the leading-order interaction, the higher-order quadrupole-surface correction accounts for about 25 % of the total vdW correction, suggesting the importance of the higher-order term.

Implementation of Magnetic Dipole Interaction in the Planewave-Basis Approach for Slab Systems

NASA Astrophysics Data System (ADS)

Oda, Tatsuki; Obata, Masao

2018-06-01

We implemented the magnetic dipole interaction (MDI) in a first-principles planewave-basis electronic structure calculation based on spin density functional theory. This implementation, employing the two-dimensional Ewald summation, enables us to obtain the total magnetic anisotropy energy of slab materials with contributions originating from both spin-orbit and magnetic dipole-dipole couplings on the same footing. The implementation was demonstrated using an iron square lattice. The result indicates that the magnetic anisotropy of the MDI is much less than that obtained from the atomic magnetic moment model due to the prolate quadrupole component of the spin magnetic moment density. We discuss the reduction in the anisotropy of the MDI in the case of modulation of the quadrupole component and the effect of magnetic field arising from the MDI on atomic scale.

Fast computation of quadrupole and hexadecapole approximations in microlensing with a single point-source evaluation

NASA Astrophysics Data System (ADS)

Cassan, Arnaud

2017-07-01

The exoplanet detection rate from gravitational microlensing has grown significantly in recent years thanks to a great enhancement of resources and improved observational strategy. Current observatories include ground-based wide-field and/or robotic world-wide networks of telescopes, as well as space-based observatories such as satellites Spitzer or Kepler/K2. This results in a large quantity of data to be processed and analysed, which is a challenge for modelling codes because of the complexity of the parameter space to be explored and the intensive computations required to evaluate the models. In this work, I present a method that allows to compute the quadrupole and hexadecapole approximations of the finite-source magnification with more efficiency than previously available codes, with routines about six times and four times faster, respectively. The quadrupole takes just about twice the time of a point-source evaluation, which advocates for generalizing its use to large portions of the light curves. The corresponding routines are available as open-source python codes.

Measuring masses of large biomolecules and bioparticles using mass spectrometric techniques.

PubMed

Peng, Wen-Ping; Chou, Szu-Wei; Patil, Avinash A

2014-07-21

Large biomolecules and bioparticles play a vital role in biology, chemistry, biomedical science and physics. Mass is a critical parameter for the characterization of large biomolecules and bioparticles. To achieve mass analysis, choosing a suitable ion source is the first step and the instruments for detecting ions, mass analyzers and detectors should also be considered. Abundant mass spectrometric techniques have been proposed to determine the masses of large biomolecules and bioparticles and these techniques can be divided into two categories. The first category measures the mass (or size) of intact particles, including single particle quadrupole ion trap mass spectrometry, cell mass spectrometry, charge detection mass spectrometry and differential mobility mass analysis; the second category aims to measure the mass and tandem mass of biomolecular ions, including quadrupole ion trap mass spectrometry, time-of-flight mass spectrometry, quadrupole orthogonal time-of-flight mass spectrometry and orbitrap mass spectrometry. Moreover, algorithms for the mass and stoichiometry assignment of electrospray mass spectra are developed to obtain accurate structure information and subunit combinations.

Hyperfine field, electric field gradient, quadrupole coupling constant and magnetic properties of challenging actinide digallide

NASA Astrophysics Data System (ADS)

Khan, Sajid; Yazdani-Kachoei, M.; Jalali-Asadabadi, S.; Ahmad, Iftikhar

2017-12-01

In this paper, we explore the structural and magnetic properties as well as electric field gradient (EFG), hyperfine field (HFF) and quadrupole coupling constant in actinide digallide AcGa2 (Ac = U, Np, Pu) using LDA, GGA, LDA+U, GGA+U and hybrid functional with Wu-Cohen Generalized Gradient approximation HF-WC. Relativistic effects of the electrons are considered by including spin-orbit coupling. The comparison of the calculated structural parameters and magnetic properties with the available experimental results confirms the consistency and hence effectiveness of our theoretical tools. The calculated magnetic moments demonstrate that UGa2 and NpGa2 are ferromagnetic while PuGa2 is antiferromagnetic in nature. The EFG of AcGa2 is reported for the first time. The HFF, EFG and quadrupole coupling constant in AcGa2 (Ac = U, Np, Pu) are mainly originated from f-f and p-p contributions of Ac atom and p-p contribution of Ga atom.

ACCELERATORS: Beam based alignment of the SSRF storage ring

NASA Astrophysics Data System (ADS)

Zhang, Man-Zhou; Li, Hao-Hu; Jiang, Bo-Cheng; Liu, Gui-Min; Li, De-Ming

2009-04-01

There are 140 beam position monitors (BPMs) in the Shanghai Synchrotron Radiation Facility (SSRF) storage ring used for measuring the closed orbit. As the BPM pickup electrodes are assembled directly on the vacuum chamber, it is important to calibrate the electrical center offset of the BPM to an adjacent quadrupole magnetic center. A beam based alignment (BBA) method which varies individual quadrupole magnet strength and observes its effects on the orbit is used to measure the BPM offsets in both the horizontal and vertical planes. It is a completely automated technique with various data processing methods. There are several parameters such as the strength change of the correctors and the quadrupoles which should be chosen carefully in real measurement. After several rounds of BBA measurement and closed orbit correction, these offsets are set to an accuracy better than 10 μm. In this paper we present the method of beam based calibration of BPMs, the experimental results of the SSRF storage ring, and the error analysis.

Manifestation of a strong quadrupole interaction and peculiarities in the SERS and SEHRS spectra of 4,4'-bipyridine

NASA Astrophysics Data System (ADS)

Golovin, A. V.; Polubotko, A. M.

2017-07-01

The paper analyzes Surface Enhanced Raman Scattering (SERS) and Surface Enhanced Hyper Raman Scattering (SEHRS) spectra of 4,4'-bypiridine molecule for two possible geometries, which are described by D 2 and D 2 h symmetry groups. It is pointed out on appearance of sufficiently strong lines, caused by vibrations with the unit irreducible representation for both possible configurations. Appearance of these lines in the SEHRS spectrum points out the existence of a strong quadrupole light-molecule interaction. In addition one observes the lines, caused by vibrations both with the unit irreducible representations A or A g and the irreducible representation B 1 or B 1 u . The last ones describe transformational properties of the d z component of the dipole moment, which is perpendicular to the surface. This property of the spectrum is caused by peculiarity of the geometry of the molecule, which consists of two benzene rings, which are weakly connected with each other. The linear combinations of the vibrations of the rings create two nearly degenerated symmetric and anti symmetrical states, which cannot be identified in the experimental spectra. The result is in a full agreement with the dipole-quadrupole theory of SERS and SEHRS.

Analysis and correction of linear optics errors, and operational improvements in the Indus-2 storage ring

NASA Astrophysics Data System (ADS)

Husain, Riyasat; Ghodke, A. D.

2017-08-01

Estimation and correction of the optics errors in an operational storage ring is always vital to achieve the design performance. To achieve this task, the most suitable and widely used technique, called linear optics from closed orbit (LOCO) is used in almost all storage ring based synchrotron radiation sources. In this technique, based on the response matrix fit, errors in the quadrupole strengths, beam position monitor (BPM) gains, orbit corrector calibration factors etc. can be obtained. For correction of the optics, suitable changes in the quadrupole strengths can be applied through the driving currents of the quadrupole power supplies to achieve the desired optics. The LOCO code has been used at the Indus-2 storage ring for the first time. The estimation of linear beam optics errors and their correction to minimize the distortion of linear beam dynamical parameters by using the installed number of quadrupole power supplies is discussed. After the optics correction, the performance of the storage ring is improved in terms of better beam injection/accumulation, reduced beam loss during energy ramping, and improvement in beam lifetime. It is also useful in controlling the leakage in the orbit bump required for machine studies or for commissioning of new beamlines.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates

PubMed Central

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-01-01

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the “recombination” and “exchange” regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the “annihilation” regime. We find that the mechanism of the charge flipping in the “exchange” regime and the disappearance of the quadrupole structure in the “annihilation” regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution. PMID:27464981

Prediction of thermodynamic properties of coal derivatives. Progress report, September 1, 1981-August 31, 1982

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donohue, M.D.

It is the purpose of this research program to develop a model to predict the thermodynamic properties of coal derivatives. Unlike natural gas and petroleum, coal and its gasification and liquefaction products are predominantly aromatic and have substantial quadrupole moments. Because of these quadrupole forces, the numerous correlational techniques that have been developed for petroleum products cannot be used to predict the thermodynamic properties of coal derivatives. We are presently developing a correlation that will be useful in predicting the thermodynamic properties of coal derivatives. This theory is based on the Perturbed-Hard-Chain theory, but is different from PHCT in twomore » respects. First, PHCT uses a square-well to describe the intermolecular potential energy between two molecules. In our new theory, the Lennard-Jones potential energy function is used. The second difference is that we take into account the effect of quadrupole forces on the intermolecular potential energy. In PHCT these forces were ignored. In PHCT the contributions to the partition function (or equation of state) that arise from the attractive forces between molecules (regardless of whether these forces are treated as a square-well or by Lennard-Jones) are calculated by assuming that they are perturbations on a hard sphere. In calculating the contributions to the partition function that arise from the quadrupole-quadrupole interactions, we use a second order perturbation about the Lennard-Jones. For aromatic molecules, the effect of this additional perturbation is significant.« less

The pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions.

PubMed

Wang, Fang; Steimle, Timothy C; Adam, Allan G; Cheng, Lan; Stanton, John F

2013-11-07

The J = 1 ← J = 0 and J = 2 ← J = 1 rotational transitions of ruthenium monocarbide, RuC, have been recorded using the separated field pump/probe microwave optical double resonance technique and analyzed to determine the fine and hyperfine parameters for the X(1)Σ(+) state. The (101)Ru(I = 5/2) electric quadrupole parameter, eq0Q, and nuclear spin-rotation interaction parameter, C(I)(eff), were determined to be 433.19(8) MHz and -0.049(6) MHz, respectively. The equilibrium bond distance, r(e), was determined to be 1.605485(2) Å. Hartree-Fock and coupled-cluster calculations were carried out for the properties of the X(1)Σ(+) state. Electron-correlation effects are pronounced for all properties studied. It is shown that (a) the moderate scalar-relativistic contribution to eq0Q is entirely due to the coupling between scalar-relativistic and electron-correlation effects, (b) the spin-free exact two-component theory in its one-electron variant offers a reliable and efficient treatment of scalar-relativistic effects, and (c) non-relativistic theory performs quite well for the prediction of C(I)(elec), provided that electron correlation is treated accurately.

The pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions

NASA Astrophysics Data System (ADS)

Wang, Fang; Steimle, Timothy C.; Adam, Allan G.; Cheng, Lan; Stanton, John F.

2013-11-01

The J = 1 ← J = 0 and J = 2 ← J = 1 rotational transitions of ruthenium monocarbide, RuC, have been recorded using the separated field pump/probe microwave optical double resonance technique and analyzed to determine the fine and hyperfine parameters for the X1Σ+ state. The 101Ru(I = 5/2) electric quadrupole parameter, eq0Q, and nuclear spin-rotation interaction parameter, C_I^{eff}, were determined to be 433.19(8) MHz and -0.049(6) MHz, respectively. The equilibrium bond distance, re, was determined to be 1.605485(2) Å. Hartree-Fock and coupled-cluster calculations were carried out for the properties of the X1Σ+ state. Electron-correlation effects are pronounced for all properties studied. It is shown that (a) the moderate scalar-relativistic contribution to eq0Q is entirely due to the coupling between scalar-relativistic and electron-correlation effects, (b) the spin-free exact two-component theory in its one-electron variant offers a reliable and efficient treatment of scalar-relativistic effects, and (c) non-relativistic theory performs quite well for the prediction of C_I^{elec}, provided that electron correlation is treated accurately.

Observable signatures of a classical transition

NASA Astrophysics Data System (ADS)

Johnson, Matthew C.; Lin, Wei

2016-03-01

Eternal inflation arising from a potential landscape predicts that our universe is one realization of many possible cosmological histories. One way to access different cosmological histories is via the nucleation of bubble universes from a metastable false vacuum. Another way to sample different cosmological histories is via classical transitions, the creation of pocket universes through the collision between bubbles. Using relativistic numerical simulations, we examine the possibility of observationally determining if our observable universe resulted from a classical transition. We find that classical transitions produce spatially infinite, approximately open Friedman-Robertson-Walker universes. The leading set of observables in the aftermath of a classical transition are negative spatial curvature and a contribution to the Cosmic Microwave Background temperature quadrupole. The level of curvature and magnitude of the quadrupole are dependent on the position of the observer, and we determine the possible range of observables for two classes of single-scalar field models. For the first class, where the inflationary phase has a lower energy than the vacuum preceding the classical transition, the magnitude of the observed quadrupole generally falls to zero with distance from the collision while the spatial curvature grows to a constant. For the second class, where the inflationary phase has a higher energy than the vacuum preceding the classical transition, the magnitude of the observed quadrupole generically falls to zero with distance from the collision while the spatial curvature grows without bound. We find that the magnitude of the quadrupole and curvature grow with increasing centre of mass energy of the collision, and explore variations of the parameters in the scalar field lagrangian.

Observable signatures of a classical transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Matthew C.; Lin, Wei, E-mail: mjohnson@perimeterinstitute.ca, E-mail: lewisweilin@gmail.com

2016-03-01

Eternal inflation arising from a potential landscape predicts that our universe is one realization of many possible cosmological histories. One way to access different cosmological histories is via the nucleation of bubble universes from a metastable false vacuum. Another way to sample different cosmological histories is via classical transitions, the creation of pocket universes through the collision between bubbles. Using relativistic numerical simulations, we examine the possibility of observationally determining if our observable universe resulted from a classical transition. We find that classical transitions produce spatially infinite, approximately open Friedman-Robertson-Walker universes. The leading set of observables in the aftermath ofmore » a classical transition are negative spatial curvature and a contribution to the Cosmic Microwave Background temperature quadrupole. The level of curvature and magnitude of the quadrupole are dependent on the position of the observer, and we determine the possible range of observables for two classes of single-scalar field models. For the first class, where the inflationary phase has a lower energy than the vacuum preceding the classical transition, the magnitude of the observed quadrupole generally falls to zero with distance from the collision while the spatial curvature grows to a constant. For the second class, where the inflationary phase has a higher energy than the vacuum preceding the classical transition, the magnitude of the observed quadrupole generically falls to zero with distance from the collision while the spatial curvature grows without bound. We find that the magnitude of the quadrupole and curvature grow with increasing centre of mass energy of the collision, and explore variations of the parameters in the scalar field lagrangian.« less

Interacting Boson Model and nucleons

NASA Astrophysics Data System (ADS)

Otsuka, Takaharu

2012-10-01

An overview on the recent development of the microscopic derivation of the Interacting Boson Model is presented with some remarks not found elsewhere. The OAI mapping is reviewed very briefly, including the basic correspondence from nucleon-pair to boson. The new fermionboson mapping method is introduced, where intrinsic states of nucleons and bosons for a wide variation of shapes play an important role. Nucleon intrinsic states are obtained from mean field models, which is Skyrme model in examples to be shown. This method generates IBM-2 Hamiltonian which can describe and predict various situations of quadrupole collective states, including U(5), SU(3), O(6) and E(5) limits. The method is extended so that rotational response (cranking) can be handled, which enables us to describe rotational bands of strongly deformed nuclei. Thus, we have obtained a unified framework for the microscopic derivation of the IBM covering all known situations of quadrupole collectivity at low energy.

Interaction of Strain and Nuclear Spins in Silicon: Quadrupolar Effects on Ionized Donors

NASA Astrophysics Data System (ADS)

Franke, David P.; Hrubesch, Florian M.; Künzl, Markus; Becker, Hans-Werner; Itoh, Kohei M.; Stutzmann, Martin; Hoehne, Felix; Dreher, Lukas; Brandt, Martin S.

2015-07-01

The nuclear spins of ionized donors in silicon have become an interesting quantum resource due to their very long coherence times. Their perfect isolation, however, comes at a price, since the absence of the donor electron makes the nuclear spin difficult to control. We demonstrate that the quadrupolar interaction allows us to effectively tune the nuclear magnetic resonance of ionized arsenic donors in silicon via strain and determine the two nonzero elements of the S tensor linking strain and electric field gradients in this material to S11=1.5 ×1022 V /m2 and S44=6 ×1022 V /m2 . We find a stronger benefit of dynamical decoupling on the coherence properties of transitions subject to first-order quadrupole shifts than on those subject to only second-order shifts and discuss applications of quadrupole physics including mechanical driving of magnetic resonance, cooling of mechanical resonators, and strain-mediated spin coupling.

Self-consistent Hartree-Fock RPA calculations in 208Pb

NASA Astrophysics Data System (ADS)

Taqi, Ali H.; Ali, Mohammed S.

2018-01-01

The nuclear structure of 208Pb is studied in the framework of the self-consistent random phase approximation (SCRPA). The Hartree-Fock mean field and single particle states are used to implement a completely SCRPA with Skyrme-type interactions. The Hamiltonian is diagonalised within a model space using five Skyrme parameter sets, namely LNS, SkI3, SkO, SkP and SLy4. In view of the huge number of the existing Skyrme-force parameterizations, the question remains which of them provide the best description of data. The approach attempts to accurately describe the structure of the spherical even-even nucleus 208Pb. To illustrate our approach, we compared the binding energy, charge density distribution, excitation energy levels scheme with the available experimental data. Moreover, we calculated isoscalar and isovector monopole, dipole, and quadrupole transition densities and strength functions.

Elucidation of electronic structure by the analysis of hyperfine interactions: The MnH A 7Π-X 7Sigma + (0,0) band

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1991-08-01

We present a complete analysis of the hyperfine structure of the MnH A 7Π-X 7Σ+ (0,0) band near 5680 Å, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the 55Mn (I=5/2) and 1H (I=1/2) nuclear spins are observed as well as 55Mn electric quadrupole effects. The manganese Fermi contact interaction in the X 7Σ+ state is the dominant contributor to the observed hyperfine splittings; the ΔF=0, ΔN=0, ΔJ=±1 matrix elements of this interaction mix the electron spin components of the ground state quite strongly at low N, destroying the ``goodness'' of J as a quantum number and inducing rotationally forbidden, ΔJ=±2 and ±3 transitions. The hyperfine splittings of over 50 rotational transitions covering all 7 spin components of both states were analyzed and fitted by least squares, allowing the accurate determination of 14 different hyperfine parameters. Using single electronic configurations to describe the A 7Π and X 7Σ+ states and Herman-Skillman atomic radial wave functions to represent the molecular orbitals, we calculated a priori values for the 55Mn and 1H hyperfine parameters which agree closely with experiment. We show that the five high-spin coupled Mn 3d electrons do not contribute to the manganese hyperfine structure but are responsible for the observed proton magnetic dipolar couplings. Furthermore, the results suggest that the Mn 3d electrons are not significantly involved in bonding and demonstrate that the molecular hyperfine interactions may be quantitatively understood using simple physical interpretations.

A molecular scale perspective: Monte Carlo simulation for rupturing of ultra thin polymer film melts

NASA Astrophysics Data System (ADS)

Singh, Satya Pal

2017-04-01

Monte Carlo simulation has been performed to study the rupturing process of thin polymer film under strong confinement. The change in mean square displacement; pair correlation function; density distribution; average bond length and microscopic viscosity are sampled by varying the molecular interaction parameters such as the strength and the equilibrium positions of the bonding, non-bonding potentials and the sizes of the beads. The variation in mean square angular displacement χθ = [ < Δθ2 > - < Δθ>2 ] fits very well to a function of type y (t) = A + B *e-t/τ. This may help to study the viscous properties of the films and its dependence on different parameters. The ultra thin film annealed at high temperature gets ruptured and holes are created in the film mimicking spinodal dewetting. The pair correlation function and density profile reveal rich information about the equilibrium structure of the film. The strength and equilibrium bond length of finite extensible non-linear elastic potential (FENE) and non-bonding Morse potential have clear impact on microscopic rupturing of the film. The beads show Rouse or repetition motion forming rim like structures near the holes created inside the film. The higher order interaction as dipole-quadrupole may get prominence under strong confinement. The enhanced excluded volume interaction under strong confinement may overlap with the molecular dispersion forces. It can work to reorganize the molecules at the bottom of the scale and can imprint its signature in complex patterns evolved.

Dynamics of charged particles in a Paul radio-frequency quadrupole trap

NASA Technical Reports Server (NTRS)

Prestage, J. D.; Williams, A.; Maleki, L.; Djomehri, M. J.; Harabetian, E.

1991-01-01

A molecular-dynamics simulation of hundreds of ions confined in a Paul trap has been performed. The simulation includes the trapped particles' micromotion and interparticle Coulomb interactions. A random walk in velocity was implemented to bring the secular motion to a given temperature which was numerically measured. When the coupling Gamma is large the ions from concentric shells which undergo a quadrupole oscillation at the RF frequency, while the ions within a shell form a 2D hexagonal lattice. Ion clouds at 5 mK show no RF heating for q(z) less than about 0.6, whereas rapid heating is seen for qz = 0.8.

Laser ablated hydantoin: A high resolution rotational study.

PubMed

Alonso, Elena R; Kolesniková, Lucie; Alonso, José L

2017-09-28

Laser ablation techniques coupled with broadband and narrowband Fourier transform microwave spectroscopies have allowed the high resolution rotational study of solid hydantoin, an important target in astrochemistry as a possible precursor of glycine. The complicated hyperfine structure arising from the presence of two 14 N nuclei in non-equivalent positions has been resolved and interpreted in terms of the nuclear quadrupole coupling interactions. The results reported in this work provide a solid base for the interstellar searches of hydantoin in the astrophysical surveys. The values of the nuclear quadrupole coupling constants have been also discussed in terms of the electronic environment around the respective nitrogen atom.

Inductively coupled plasma mass spectrometer with axial field in a quadrupole reaction cell.

PubMed

Bandura, Dmitry R; Baranov, Vladimir I; Tanner, Scott D

2002-10-01

A novel reaction cell for ICP-MS with an electric field provided inside the quadrupole along its axis is described. The field is implemented via a DC bias applied to additional auxiliary electrodes inserted between the rods of the quadrupole. The field reduces the settling time of the pressurized quadrupole when its mass bandpass is dynamically tuned. It also improves the transmission of analyte ions. It is shown that for the pressurized cell with the field activated, the recovery time for a change in quadrupole operating parameters is reduced to <4 ms, which allows fast tuning of the mass bandpass in concert with and at the speed of the analyzing quadrupole. When the cell is operated with ammonia, the field reduces ion-ammonia cluster formation, further enhancing the transmission of atomic ions that have a high cluster formation rate. Ni x (NH3)n+ cluster formation in a cell operated with a wide bandpass (i.e., Ni+ precursors are stable in the cell) is shown to be dependent on the axial field strength. Clusters at n = 2-4 can be suppressed by 9, 1200, and >610 times, respectively. The use of a retarding axial field for in-situ energy discrimination against cluster and polyatomic ions is shown. When the cell is pressurized with O2 for suppression of 129Xe+, the formation of 127IH2+ by reactions with gas impurities limits the detection of 129I to isotopic abundance of approximately 10(-6). In-cell energy discrimination against 127IH2+ utilizing a retarding axial field is shown to reduce the abundance of the background at m/z = 129 to ca. 3 x 10(-8) of the 127I+ signal. In-cell energy discrimination against 127IH2+ is shown to cause less I+ loss than a post-cell potential energy barrier for the same degree of 127IH2+ suppression.

Nature of the tensor order in Cd 2 Re 2 O 7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Matteo, S.; Norman, M. R.

The pyrochlore metal Cd 2Re 2O 7 has been recently investigated by second-harmonic generation (SHG) reflectivity. In this paper, we develop a general formalism that allows for the identification of the relevant tensor components of the SHG from azimuthal scans. We demonstrate that the secondary order parameter identified by SHG at the structural phase transition is the x 2 - y 2 component of the axial toroidal quadrupole. This differs from the 3z 2 - r 2 symmetry of the atomic displacements associated with the I4m2 crystal structure that was previously thought to be its origin. Within the same formalism,more » we suggest that the primary order parameter detected in the SHG experiment is the 3z 2 - r 2 component of the magnetic quadrupole. We discuss the general mechanism driving the phase transition in our proposed framework, and suggest experiments, particularly resonant x-ray scattering ones, that could clarify this issue.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lackner, Friedrich; Ferracin, Paolo; Todesco, Ezio

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 bemore » 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.« less

Octupole deformations in high-K isomeric states of heavy and superheavy nuclei

NASA Astrophysics Data System (ADS)

Minkov, N.; Walker, P. M.

2016-01-01

We study the effects of quadrupole-octupole deformations on the energy and magnetic properties of high-K isomeric states in even-even heavy and superheavy nuclei. The neutron two-quasiparticle (2qp) isomeric energies and magnetic dipole moments are calculated within a deformed shell model with the Bardeen-Cooper- Schrieffer (BCS) pairing interaction over a wide range of quadrupole and octupole deformations. We found that in most cases the magnetic moments exhibit a pronounced sensitivity to the octupole deformation, while the 2qp energies indicate regions of nuclei in which the presence of high-K isomeric states may be associated with the presence of octupole softness or even with octupole deformation. In the present work we also examine the influence of the BCS pairing strength on the energy of the blocked isomer configuration. We show that the formation of 2qp energy minima in the space of quadrupole-octupole and eventually higher multipolarity deformations is a subtle effect depending on nuclear pairing correlations.

First determination of ground state electromagnetic moments of 53Fe

NASA Astrophysics Data System (ADS)

Miller, A. J.; Minamisono, K.; Rossi, D. M.; Beerwerth, R.; Brown, B. A.; Fritzsche, S.; Garand, D.; Klose, A.; Liu, Y.; Maaß, B.; Mantica, P. F.; Müller, P.; Nörtershäuser, W.; Pearson, M. R.; Sumithrarachchi, C.

2017-11-01

The hyperfine coupling constants of neutron deficient 53Fe were deduced from the atomic hyperfine spectrum of the 3 d64 s25D4↔3 d64 s 4 p 5F5 transition, measured using the bunched-beam collinear laser spectroscopy technique. The low-energy 53Fe beam was produced by projectile-fragmentation reactions followed by gas stopping, and used for the first time for laser spectroscopy. Ground state magnetic-dipole and electric-quadrupole moments were determined as μ =-0.65 (1 ) μN and Q =+35 (15 ) e2fm2 , respectively. The multiconfiguration Dirac-Fock method was used to calculate the electric field gradient to deduce Q from the quadrupole hyperfine coupling constant, since the quadrupole coupling constant has not been determined for any Fe isotopes. Both experimental values agree well with nuclear shell model calculations using the GXPF1A effective interaction performed in a full f p shell model space, which support the soft nature of the 56Ni nucleus.

Solid-state (185/187)Re NMR and GIPAW DFT study of perrhenates and Re2(CO)10: chemical shift anisotropy, NMR crystallography, and a metal-metal bond.

PubMed

Widdifield, Cory M; Perras, Frédéric A; Bryce, David L

2015-04-21

Advances in solid-state nuclear magnetic resonance (SSNMR) methods, such as dynamic nuclear polarization (DNP), intricate pulse sequences, and increased applied magnetic fields, allow for the study of systems which even very recently would be impractical. However, SSNMR methods using certain quadrupolar probe nuclei (i.e., I > 1/2), such as (185/187)Re remain far from fully developed due to the exceedingly strong interaction between the quadrupole moment of these nuclei and local electric field gradients (EFGs). We present a detailed high-field (B0 = 21.1 T) experimental SSNMR study on several perrhenates (KReO4, AgReO4, Ca(ReO4)2·2H2O), as well as ReO3 and Re2(CO)10. We propose solid ReO3 as a new rhenium SSNMR chemical shift standard due to its reproducible and sharp (185/187)Re NMR resonances. We show that for KReO4, previously poorly understood high-order quadrupole-induced effects (HOQIE) on the satellite transitions can be used to measure the EFG tensor asymmetry (i.e., ηQ) to nearly an order-of-magnitude greater precision than competing SSNMR and nuclear quadrupole resonance (NQR) approaches. Samples of AgReO4 and Ca(ReO4)2·2H2O enable us to comment on the effects of counter-ions and hydration upon Re(vii) chemical shifts. Calcium-43 and (185/187)Re NMR tensor parameters allow us to conclude that two proposed crystal structures for Ca(ReO4)2·2H2O, which would be considered as distinct, are in fact the same structure. Study of Re2(CO)10 provides insights into the effects of Re-Re bonding on the rhenium NMR tensor parameters and rhenium oxidation state on the Re chemical shift value. As overtone NQR experiments allowed us to precisely measure the (185/187)Re EFG tensor of Re2(CO)10, we were able to measure rhenium chemical shift anisotropy (CSA) for the first time in a powdered sample. Experimental observations are supported by gauge-including projector augmented-wave (GIPAW) density functional theory (DFT) calculations, with NMR tensor calculations also provided for NH4ReO4, NaReO4 and RbReO4. These calculations are able to reproduce many of the experimental trends in rhenium δiso values and EFG tensor magnitudes. Using KReO4 as a prototypical perrhenate-containing system, we establish a correlation between the tetrahedral shear strain parameter (|ψ|) and the nuclear electric quadrupolar coupling constant (CQ), which enables the refinement of the structure of ND4ReO4. Shortcomings in traditional DFT approaches, even when including relativistic effects via the zeroth-order regular approximation (ZORA), for calculating rhenium NMR tensor parameters are identified for Re2(CO)10.

Numerical Simulations of Flare-productive Active Regions: δ-sunspots, Sheared Polarity Inversion Lines, Energy Storage, and Predictions

NASA Astrophysics Data System (ADS)

Toriumi, Shin; Takasao, Shinsuke

2017-11-01

Solar active regions (ARs) that produce strong flares and coronal mass ejections (CMEs) are known to have a relatively high non-potentiality and are characterized by δ-sunspots and sheared magnetic structures. In this study, we conduct a series of flux emergence simulations from the convection zone to the corona and model four types of active regions that have been observationally suggested to cause strong flares, namely the spot-spot, spot-satellite, quadrupole, and inter-AR cases. As a result, we confirm that δ-spot formation is due to the complex geometry and interaction of emerging magnetic fields, and we find that the strong-field, high-gradient, highly sheared polarity inversion line (PIL) is created by the combined effect of the advection, stretching, and compression of magnetic fields. We show that free magnetic energy builds up in the form of a current sheet above the PIL. It is also revealed that photospheric magnetic parameters that predict flare eruptions reflect the stored free energy with high accuracy, while CME-predicting parameters indicate the magnetic relationship between flaring zones and entire ARs.

Numerical simulation of NQR/NMR: Applications in quantum computing.

PubMed

Possa, Denimar; Gaudio, Anderson C; Freitas, Jair C C

2011-04-01

A numerical simulation program able to simulate nuclear quadrupole resonance (NQR) as well as nuclear magnetic resonance (NMR) experiments is presented, written using the Mathematica package, aiming especially applications in quantum computing. The program makes use of the interaction picture to compute the effect of the relevant nuclear spin interactions, without any assumption about the relative size of each interaction. This makes the program flexible and versatile, being useful in a wide range of experimental situations, going from NQR (at zero or under small applied magnetic field) to high-field NMR experiments. Some conditions specifically required for quantum computing applications are implemented in the program, such as the possibility of use of elliptically polarized radiofrequency and the inclusion of first- and second-order terms in the average Hamiltonian expansion. A number of examples dealing with simple NQR and quadrupole-perturbed NMR experiments are presented, along with the proposal of experiments to create quantum pseudopure states and logic gates using NQR. The program and the various application examples are freely available through the link http://www.profanderson.net/files/nmr_nqr.php. Copyright © 2011 Elsevier Inc. All rights reserved.

Isotropic–Nematic Phase Transitions in Gravitational Systems. II. Higher Order Multipoles

NASA Astrophysics Data System (ADS)

Takács, Ádám; Kocsis, Bence

2018-04-01

The gravitational interaction among bodies orbiting in a spherical potential leads to the rapid relaxation of the orbital planes’ distribution, a process called vector resonant relaxation. We examine the statistical equilibrium of this process for a system of bodies with similar semimajor axes and eccentricities. We extend the previous model of Roupas et al. by accounting for the multipole moments beyond the quadrupole, which dominate the interaction for radially overlapping orbits. Nevertheless, we find no qualitative differences between the behavior of the system with respect to the model restricted to the quadrupole interaction. The equilibrium distribution resembles a counterrotating disk at low temperature and a spherical structure at high temperature. The system exhibits a first-order phase transition between the disk and the spherical phase in the canonical ensemble if the total angular momentum is below a critical value. We find that the phase transition erases the high-order multipoles, i.e., small-scale structure in angular momentum space, most efficiently. The system admits a maximum entropy and a maximum energy, which lead to the existence of negative temperature equilibria.

Design of An Improved Miniature Ion Neutral Mass Spectrometer for NASA Applications

NASA Technical Reports Server (NTRS)

Swaminathan, Viji K.; Alig, Roger C.

1997-01-01

The ion optics of NASA's Ion Neutral Mass Spectrometer (INMS) sensor was simulated with three dimensional models of the open source, the quadrupole deflector, the exit lens system and the quadrupole mass analyzer to design more compact models with lower weight. Comparison of calculated transmission with experimental results shows good agreement. Transmission analyses with varying geometrical parameters and voltages throw light on possible ways of reducing the size of the sensor. Trajectories of ions of mass 1-99 amu were simulated to analyze and optimize transmission. Analysis of open source transmission with varying angle of attack shows that the angular acceptance can be considerably increased by programming the voltages on the ion trap/ collimator. Analysis of transmission sensitivity to voltages and misalignments of the quadrupole deflector rods indicate that increased transmission is possible with a geometrically asymmetrical deflector and a deflector can be designed with much lower sensitivities of transmission. Bringing the disks closer together can decrease the size of the quadrupole deflector and also increase transmission. The exit lens system can be redesigned to be smaller by eliminating at least one electrode entirely without loss of transmission. Ceramic materials were investigated to find suitable candidates for use in the construction of lighter weight mass spectrometer. A high-sensitivity, high-resolution portable gas chromatograph mass spectrometer with a mass range of 2-700 amu has been built and will be commercialized in Phase 3.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomatova, Natalia V.; Jackson, Jennifer M.; Sturhahn, Wolfgang

The physical properties of silicate melts within Earth's mantle affect the chemical and thermal evolution of its interior. Chemistry and coordination environments affect such properties. We have measured the hyperfine parameters of iron-bearing rhyolitic and basaltic glasses up to ~120 GPa and ~100 GPa, respectively, in a neon pressure medium using time domain synchrotron Mössbauer spectroscopy. The spectra for rhyolitic and basaltic glasses are well explained by three high-spin Fe2+-like sites with distinct quadrupole splittings. Absence of detectable ferric iron was confirmed with optical absorption spectroscopy. The sites with relatively high and intermediate quadrupole splittings are likely a result ofmore » fivefold and sixfold coordination environments of ferrous iron that transition to higher coordination with increasing pressure. The ferrous site with a relatively low quadrupole splitting and isomer shift at low pressures may be related to a fourfold or a second fivefold ferrous iron site, which transitions to higher coordination in basaltic glass, but likely remains in low coordination in rhyolitic glass. These results indicate that iron experiences changes in its coordination environment with increasing pressure without undergoing a high-spin to low-spin transition. We compare our results to the hyperfine parameters of silicate glasses of different compositions. With the assumption that coordination environments in silicate glasses may serve as a good indicator for those in a melt, this study suggests that ferrous iron in chemically complex silicate melts likely exists in a high-spin state throughout most of Earth's mantle.« less

UHB Engine Fan Broadband Noise Reduction Study

NASA Technical Reports Server (NTRS)

Gliebe, Philip R.; Ho, Patrick Y.; Mani, Ramani

1995-01-01

A study has been completed to quantify the contribution of fan broadband noise to advanced high bypass turbofan engine system noise levels. The result suggests that reducing fan broadband noise can produce 3 to 4 EPNdB in engine system noise reduction, once the fan tones are eliminated. Further, in conjunction with the elimination of fan tones and an increase in bypass ratio, a potential reduction of 7 to 10 EPNdB in system noise can be achieved. In addition, an initial assessment of engine broadband noise source mechanisms has been made, concluding that the dominant source of fan broadband noise is the interaction of incident inlet boundary layer turbulence with the fan rotor. This source has two contributors, i.e., unsteady life dipole response and steady loading quadrupole response. The quadrupole contribution was found to be the most important component, suggesting that broadband noise reduction can be achieved by the reduction of steady loading field-turbulence field quadrupole interaction. Finally, for a controlled experimental quantification and verification, the study recommends that further broadband noise tests be done on a simulated engine rig, such as the GE Aircraft Engine Universal Propulsion Simulator, rather than testing on an engine statically in an outdoor arena The rig should be capable of generating forward and aft propagating fan noise, and it needs to be tested in a large freejet or a wind tunnel.

UHB engine fan broadband noise reduction study

NASA Astrophysics Data System (ADS)

Gliebe, Philip R.; Ho, Patrick Y.; Mani, Ramani

1995-06-01

A study has been completed to quantify the contribution of fan broadband noise to advanced high bypass turbofan engine system noise levels. The result suggests that reducing fan broadband noise can produce 3 to 4 EPNdB in engine system noise reduction, once the fan tones are eliminated. Further, in conjunction with the elimination of fan tones and an increase in bypass ratio, a potential reduction of 7 to 10 EPNdB in system noise can be achieved. In addition, an initial assessment of engine broadband noise source mechanisms has been made, concluding that the dominant source of fan broadband noise is the interaction of incident inlet boundary layer turbulence with the fan rotor. This source has two contributors, i.e., unsteady life dipole response and steady loading quadrupole response. The quadrupole contribution was found to be the most important component, suggesting that broadband noise reduction can be achieved by the reduction of steady loading field-turbulence field quadrupole interaction. Finally, for a controlled experimental quantification and verification, the study recommends that further broadband noise tests be done on a simulated engine rig, such as the GE Aircraft Engine Universal Propulsion Simulator, rather than testing on an engine statically in an outdoor arena The rig should be capable of generating forward and aft propagating fan noise, and it needs to be tested in a large freejet or a wind tunnel.

Corrections to atomic ground state energy due to interaction between atomic electric quadrupole and optical field

NASA Astrophysics Data System (ADS)

Hu, Jie; Chen, Yu; Bai, Yi-Xiu; He, Pei-Song; Sun, Qing; Ji, An-Chun

2018-04-01

Not Available Project supported by the National Natural Science Foundation of China (Grant Nos. 21503138, 11247324, 61405003, 11604225, 11404225, and 11474205) and the Fund from Beijing Education Committees, China (Grant No. KM201710028004).

Working Around Cosmic Variance: Remote Quadrupole Measurements of the CMB

NASA Astrophysics Data System (ADS)

Adil, Arsalan; Bunn, Emory

2018-01-01

Anisotropies in the CMB maps continue to revolutionize our understanding of the Cosmos. However, the statistical interpretation of these anisotropies is tainted with a posteriori statistics. The problem is particularly emphasized for lower order multipoles, i.e. in the cosmic variance regime of the power spectrum. Naturally, the solution lies in acquiring a new data set – a rather difficult task given the sample size of the Universe.The CMB temperature, in theory, depends on: the direction of photon propagation, the time at which the photons are observed, and the observer’s location in space. In existing CMB data, only the first parameter varies. However, as first pointed out by Kamionkowski and Loeb, a solution lies in making the so-called “Remote Quadrupole Measurements” by analyzing the secondary polarization produced by incoming CMB photons via the Sunyaev-Zel’dovich (SZ) effect. These observations allow us to measure the projected CMB quadrupole at the location and look-back time of a galaxy cluster.At low redshifts, the remote quadrupole is strongly correlated to the CMB anisotropy from our last scattering surface. We provide here a formalism for computing the covariance and relation matrices for both the two-point correlation function on the last scattering surface of a galaxy cluster and the cross correlation of the remote quadrupole with the local CMB. We then calculate these matrices based on a fiducial model and a non-standard model that suppresses power at large angles for ~104 clusters up to z=2. We anticipate to make a priori predictions of the differences between our expectations for the standard and non-standard models. Such an analysis is timely in the wake of the CMB S4 era which will provide us with an extensive SZ cluster catalogue.

Fast Beam-Based BPM Calibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bertsche, K.; Loos, H.; Nuhn, H.-D.

2012-10-15

The Alignment Diagnostic System (ADS) of the LCLS undulator system indicates that the 33 undulator quadrupoles have extremely high position stability over many weeks. However, beam trajectory straightness and lasing efficiency degrade more quickly than this. A lengthy Beam Based Alignment (BBA) procedure must be executed every two to four weeks to re-optimize the X-ray beam parameters. The undulator system includes RF cavity Beam Position Monitors (RFBPMs), several of which are utilized by an automatic feedback system to align the incoming electron-beam trajectory to the undulator axis. The beam trajectory straightness degradation has been traced to electronic drifts of themore » gain and offset of the BPMs used in the beam feedback system. To quickly recover the trajectory straightness, we have developed a fast beam-based procedure to recalibrate the BPMs. This procedure takes advantage of the high-precision monitoring capability of the ADS, which allows highly repeatable positioning of undulator quadrupoles. This report describes the ADS, the position stability of the LCLS undulator quadrupoles, and some results of the new recovery procedure.« less

Theoretical study of NMR, infrared and Raman spectra on triple-decker phthalocyanines

NASA Astrophysics Data System (ADS)

Suzuki, Atsushi; Oku, Takeo

2016-02-01

Electronic structures and magnetic properties of multi-decker phthalocyanines were studied by theoretical calculation. Electronic structures, excited processes at multi-states, isotropic chemical shifts of 13C, 14N and 1H-nuclear magnetic resonance (NMR), principle V-tensor in electronic field gradient (EFG) tensor and asymmetry parameters (η), vibration mode in infrared (IR) and Raman spectra of triple-decker phthalocyanines were calculated by density functional theory (DFT) and time-dependent DFT using B3LYP as basis function. Electron density distribution was delocalized on the phthalocyanine rings with electron static potential. Considerable separation of chemical shifts in 13C, 14N and 1H-NMR was originated from nuclear spin interaction between nitrogen and carbon atoms, nuclear quadrupole interaction based on EFG and η of central metal under crystal field. Calculated optical absorption at multi-excited process was derived from overlapping π-orbital on the phthalocyanine rings. The vibration modes in IR and Raman spectra were based on in-plane deformation and stretching vibrations of metal-ligand coordination bond on the deformed structure.

Are the low-lying isovector 1 + states scissors vibrations?

NASA Astrophysics Data System (ADS)

Faessler, A.

At the Technische Hochschule in Darmstadt the group of Richter and coworkers found in 1983/84 in deformed rare earth nuclei low-lying isovector 1 + states. Such states have been predicted in the generalized Bohr-Mottelson model and in the interacting boson model no. 2 (IBA2). In the generalized Bohr-Mottelson model one allows for proton and neutron quadrupole deformations separately. If one includes only static proton and neutron deformations the generalized Bohr-Mottelson model reduces to the two rotor model. It describes the excitation energy of these states in good agreement with the data but overestimates the magnetic dipole transition probabilities by a factor 5. In the interacting boson model (IBA2) where only the outermost nucleons participate in the excitation the magnetic dipole transition probability is only overestimated by a factor 2. The too large collectivity in both models results from the fact that they concentrate the whole strength of the scissors vibrations into one state. A microscopic description is needed to describe the spreading of the scissors strength over several states. For a microscopic determination of these scissors states one uses the Quasi-particle Random Phase Approximation (QRPA). But this approach has a serious difficulty. Since one rotates for the calculation the nucleus into the intrinsic system the state corresponding to the rotation of the whole nucleus is a spurious state. The usual procedure to remove this spuriosity is to use the Thouless theorem which says that a spurious state created by an operator which commutes with the total hamiltonian (here the total angular momentum, corresponding to a rotation of the whole system) produces the spurious state if applied to the ground state. It says further the energy of this spurious state lies at zero excitation energy (it is degenerate with the ground state) and is orthogonal to all physical states. Thus the usual approach is to vary the quadrupole-quadrupole force strength so that a state lies at zero excitation energy and to identify that with the spuríous state. This procedure assumes that a total angular momentum commutes with a total hamiltonian. But this is not the case since the total hamiltonian contains a deformed Saxon-Woods potential. Thus one has to take care explicitly that the spurious state is removed. This we do in our approach by introducing Lagrange multipliers for each excited states and requesting that these states are orthogonal to the spurious state which is explicitly constructed by applying the total angular momentum operator to the ground state. To reduce the number of free parameters in the hamiltonian we take the Saxon-Woods potential for the deformed nuclei from the literature (with minor adjustments) and determine the proton-proton, neutron-neutron and the proton-neutron quadrupole force constant by requesting that the hamiltonian commutes with the total angular momentum in the (QRPA) ground state. This yields equations fixing all three coupling constants for the quadrupole-quadrupole force allowing even for isospin symmetry violation. The spin-spin force is taken from the Reid soft core potential. A possible spin-quadrupole force has been taken from the work of Soloviev but it turns out that this is not important. The calculation shows that the strength of the scissors vibrations are spread over many states. The main 1 + state at around 3 MeV has an overlap of the order of 14 % of the scissors state. 50% of that state are spread over the physical states up to an excitation energy of 6 MeV. The rest is distributed over higher lying states. The expectation value of the many-body hamiltonian in the scissors vibrational state shows roughly an excitation energy of 7 MeV above the ground state. The results also support the experimental findings that these states are mainly orbital excitations. States are not very collective. Normally only a proton and neutron particle-hole pair are with a large amplitude participating in forming these states. But those protons and neutrons which are excited perform scissors type vibrations.

Mössbauer study of Brazilian soapstone

NASA Astrophysics Data System (ADS)

Gonçalves, M. A.; de Jesus Filho, M. F.; Garg, V. K.

1991-11-01

Steatite mineral rocks, soapstone, have been studied by X-ray diffraction, optical microscopic analysis (modal analysis), electron probe micro analysis and Mössbauer spectroscopy for characterization, mineral percentages and chemical composition. Mössbauer spectra show both, magnetic interactions corresponding to magnetite and doublets corresponding to talc. chlorite, dolomite and tremolite. The temperature dependence of the quadrupole splitting in dolomite has been explained in terms of crystal field interaction.

Design of general apochromatic drift-quadrupole beam lines

NASA Astrophysics Data System (ADS)

Lindstrøm, C. A.; Adli, E.

2016-07-01

Chromatic errors are normally corrected using sextupoles in regions of large dispersion. In low emittance linear accelerators, use of sextupoles can be challenging. Apochromatic focusing is a lesser-known alternative approach, whereby chromatic errors of Twiss parameters are corrected without the use of sextupoles, and has consequently been subject to renewed interest in advanced linear accelerator research. Proof of principle designs were first established by Montague and Ruggiero and developed more recently by Balandin et al. We describe a general method for designing drift-quadrupole beam lines of arbitrary order in apochromatic correction, including analytic expressions for emittance growth and other merit functions. Worked examples are shown for plasma wakefield accelerator staging optics and for a simple final focus system.

The compensation of quadrupole errors and space charge effects by using trim quadrupoles

NASA Astrophysics Data System (ADS)

An, YuWen; Wang, Sheng

2011-12-01

The China Spallation Neutron Source (CSNS) accelerators consist of an H-linac and a proton Rapid Cycling Synchrotron (RCS). RCS is designed to accumulate and accelerate proton beam from 80 MeV to 1.6 GeV with a repetition rate of 25 Hz. The main dipole and quadruple magnet will operate in AC mode. Due to the adoption of the resonant power supplies, saturation errors of magnetic field cannot be compensated by power supplies. These saturation errors will disturb the linear optics parameters, such as tunes, beta function and dispersion function. The strong space charge effects will cause emittance growth. The compensation of these effects by using trim quadruples is studied, and the corresponding results are presented.

I -Love- Q relations for white dwarf stars

NASA Astrophysics Data System (ADS)

Boshkayev, K.; Quevedo, H.; Zhami, B.

2017-02-01

We investigate the equilibrium configurations of uniformly rotating white dwarfs, using Chandrasekhar and Salpeter equations of state in the framework of Newtonian physics. The Hartle formalism is applied to integrate the field equation together with the hydrostatic equilibrium condition. We consider the equations of structure up to the second order in the angular velocity, and compute all basic parameters of rotating white dwarfs to test the so-called moment of inertia, rotational Love number, and quadrupole moment (I-Love-Q) relations. We found that the I-Love-Q relations are also valid for white dwarfs regardless of the equation of state and nuclear composition. In addition, we show that the moment of inertia, quadrupole moment, and eccentricity (I-Q-e) relations are valid as well.

Industrial production of RHIC magnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anerella, M.D.; Fisher, D.H.; Sheedy, E.

1996-07-01

RHIC 8 cm aperture dipole magnets and quadrupole cold masses are being built for Brookhaven National Laboratory (BNL) by Northrop Grumman Corporation at a production rate of one dipole magnet and two quadrupole cold masses per day. This work was preceded by a lengthy Technology Transfer effort which is described elsewhere. This paper describes the tooling which is being used for the construction effort, the production operations at each workstation, and also the use of trend plots of critical construction parameters as a tool for monitoring performance in production. A report on the improvements to production labor since the startmore » of the programs is also provided. The magnet and cold mass designs, and magnetic test results are described in more detail in a separate paper.« less

Performance evaluation of the zero-multipole summation method in modern molecular dynamics software.

PubMed

Sakuraba, Shun; Fukuda, Ikuo

2018-05-04

The zero-multiple summation method (ZMM) is a cutoff-based method for calculating electrostatic interactions in molecular dynamics simulations, utilizing an electrostatic neutralization principle as a physical basis. Since the accuracies of the ZMM have been revealed to be sufficient in previous studies, it is highly desirable to clarify its practical performance. In this paper, the performance of the ZMM is compared with that of the smooth particle mesh Ewald method (SPME), where the both methods are implemented in molecular dynamics software package GROMACS. Extensive performance comparisons against a highly optimized, parameter-tuned SPME implementation are performed for various-sized water systems and two protein-water systems. We analyze in detail the dependence of the performance on the potential parameters and the number of CPU cores. Even though the ZMM uses a larger cutoff distance than the SPME does, the performance of the ZMM is comparable to or better than that of the SPME. This is because the ZMM does not require a time-consuming electrostatic convolution and because the ZMM gains short neighbor-list distances due to the smooth damping feature of the pairwise potential function near the cutoff length. We found, in particular, that the ZMM with quadrupole or octupole cancellation and no damping factor is an excellent candidate for the fast calculation of electrostatic interactions. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Isolated rotor noise due to inlet distortion or turbulence

NASA Technical Reports Server (NTRS)

Mani, R.

1974-01-01

Theoretical formulation, analysis, and results are presented that are necessary to analyze quadrupole noise generated from a loaded, subsonic rotor because of its interaction with an inflow distortion or inlet turbulence. The ratio of quadrupole to dipole noise is largely a function of the axial Mach number, wheel tip Mach number, rotor solidity, and total pressure ratio across the rotor. It is relatively independent of the specific form of the inflow distortion or inlet turbulence. Comparisons with experimental data only succeed in predicting gross levels at a given speed and fail to predict the variation of noise at fixed speed with flow and pressure ratio. Likely sources of this discrepancy are discussed.

Covariant spectator theory of np scattering: Deuteron quadrupole moment

DOE PAGES

Gross, Franz

2015-01-26

The deuteron quadrupole moment is calculated using two CST model wave functions obtained from the 2007 high precision fits to np scattering data. Included in the calculation are a new class of isoscalar np interaction currents automatically generated by the nuclear force model used in these fits. The prediction for model WJC-1, with larger relativistic P-state components, is 2.5% smaller that the experiential result, in common with the inability of models prior to 2014 to predict this important quantity. However, model WJC-2, with very small P-state components, gives agreement to better than 1%, similar to the results obtained recently frommore » XEFT predictions to order N 3LO.« less

Decoupling correction system in RHIC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trbojevic, D.; Tepikian, S.; Peggs, S.

A global linear decoupling in the Relativistic Heavy Ion Collider (RHIC) is going to be performed with the three families of skew quadrupoles. The operating horizontal and vertical betatron tunes in the RHIC will be separated by one unit [nu][sub x]=28.19 and [nu][sub y]=29.18. The linear coupling is corrected by minimizing the tune splitting [Delta][nu]-the off diagonal matrix [bold m] (defined by Edwards and Teng). The skew quadrupole correction system is located close to each of the six interaction regions. A detail study of the system is presented by the use of the TEAPOT accelerator physics code. [copyright] 1994 Americanmore » Institute of Physics« less

Spectroscopy of samarium isotopes in the sdg interacting boson model

NASA Astrophysics Data System (ADS)

Devi, Y. D.; Kota, V. K. B.

1992-05-01

Successful spectroscopic calculations for the 0+1, 2+1, and 4+1 levels in 146-158Sm are carried out in sdg boson space with the restriction that the s-boson number ns>=2 and the g-boson number ng<=2. Observed energies, quadrupole and magnetic moments, E2 and E4 transition strengths, nuclear radii, and two-nucleon transfer intensities are reproduced with a simple two-parameter Hamiltonian. For a good simultaneous description of ground, β, and γ bands, a Hamiltonian interpolating the dynamical symmetries in the sdg model is employed. Using the resulting wave functions, in 152,154Sm, the observed B(E40+1-->4+γ) values are well reproduced and E4 strength distributions are predicted. Moreover, a particular ratio scrR involving two-nucleon transfer strengths showing a peak at neutron number 90 is well described by the calculations.

Beam echoes in the presence of coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gross, Axel

2017-10-03

Transverse beam echoes could provide a new technique of measuring diusion characteristics orders of magnitude faster than the current methods; however, their interaction with many accelerator parameters is poorly understood. Using a program written in C, we explored the relationship between coupling and echo strength. We found that echoes could be generated in both dimensions, even with a dipole kick in only one dimension. We found that the echo eects are not destroyed even when there is strong coupling, falling o only at extremely high coupling values. We found that at intermediate values of skew quadrupole strength, the decoherence timemore » of the beam is greatly increased, causing a destruction of the echo eects. We found that this is caused by a narrowing of the tune width of the particles. Results from this study will help to provide recommendations to IOTA (Integrable Optics Test Accelerator) for their upcoming echo experiment.« less

Valence fluctuating compound α-YbAlB4 studied by 174Yb Mössbauer spectroscopy and X-ray diffraction using synchrotron radiation

NASA Astrophysics Data System (ADS)

Oura, Momoko; Ikeda, Shugo; Masuda, Ryo; Kobayashi, Yasuhiro; Seto, Makoto; Yoda, Yoshitaka; Hirao, Naohisa; Kawaguchi, Saori I.; Ohishi, Yasuo; Suzuki, Shintaro; Kuga, Kentaro; Nakatsuji, Satoru; Kobayashi, Hisao

2018-05-01

The structural properties and the Yb 4 f electronic state of the valence fluctuating α-YbAlB4 have been investigated by powder X-ray diffraction under pressure and 174Yb Mössbauer spectroscopy with magnetic fields at low temperature, respectively, using synchrotron radiation. Powder X-ray diffraction patterns showed that the crystal structure does not change up to p ∼ 18 GPa at 8 K and the volume decreases smoothly. However, the pressure dependence of the difference in the structure factor between the (060) and (061) diffraction lines changes at ∼ 3.4 GPa, indicating the change of atomic coordination parameters. The 174Yb Mössbauer spectroscopy measurements at 2 K with 10 and 50 kOe suggest that the electrical quadrupole interaction changes by applied magnetic fields.

STM imaging ortho- and para-fluorothiophenol self-assembled monolayers on Au(111).

PubMed

Jiang, Peng; Deng, Ke; Fichou, Denis; Xie, Si-Shen; Nion, Aymeric; Wang, Chen

2009-05-05

Self-assembled monolayers (SAMs) of para- and ortho-fluorothiophenol (p- and o-FTP) spontaneously formed on Au(111) substrate have been contrasted through investigation by a scanning tunneling microscope (STM) at room temperature. High-resolution STM imaging reveals that p-FTP adopts a 6 x radical3R30 degrees molecule arrangement containing six molecules. Two different kinds of p-FTP molecule dimer line structures have been formed on Au(111) by intermolecular pi-pi stacking along 112 substrate directions, besides a single p-FTP molecule line. In contrast, o-FTP molecules self-assemble into a much looser wave-like SAM, which can be described as a 5 x 3 radical3R30 degrees structure containing two molecules. Periodic density functional theory (DFT) calculations for the two systems suggest that these kinds of FTP molecules preferentially take the asymmetrical positions between 3-fold face-centered cubic (fcc) hollow and bridge sites on Au(111), tilting from the substrate surface. Theoretical simulation gives apparent average tilted angles of 58 degrees and 68 degrees for p-FTP and o-FTP with respect to the surface normal, respectively. This simulation shows that o-FTP is more inclined to lie down toward the Au(111) surface compared to p-FTP. The difference between p-FTP and o-FTP SAM structures can be qualitatively understood in terms of the variation of intermolecular dipole-dipole orientation. This suggests that, besides well-known Au-S and pi-pi interactions, electrostatic interactions including dipole-dipole, quadrupole-quadrupole, and dipole-quadrupole interactions might also play an important role in influencing the SAM structures formed by aromatic thiols with a permanent dipole moment.

Measurement of the orientation of buffer-gas-cooled, electrostatically-guided ammonia molecules

NASA Astrophysics Data System (ADS)

Steer, Edward W.; Petralia, Lorenzo S.; Western, Colin M.; Heazlewood, Brianna R.; Softley, Timothy P.

2017-02-01

The extent to which the spatial orientation of internally and translationally cold ammonia molecules can be controlled as molecules pass out of a quadrupole guide and through different electric field regions is examined. Ammonia molecules are collisionally cooled in a buffer gas cell, and are subsequently guided by a three-bend electrostatic quadrupole into a detection chamber. The orientation of ammonia molecules is probed using (2 + 1) resonance-enhanced multiphoton ionisation (REMPI), with the laser polarisation axis aligned both parallel and perpendicular to the time-of-flight axis. Even with the presence of a near-zero field region, the ammonia REMPI spectra indicate some retention of orientation. Monte Carlo simulations propagating the time-dependent Schrödinger equation in a full basis set including the hyperfine interaction enable the orientation of ammonia molecules to be calculated - with respect to both the local field direction and a space-fixed axis - as the molecules pass through different electric field regions. The simulations indicate that the orientation of ∼95% of ammonia molecules in JK =11 could be achieved with the application of a small bias voltage (17 V) to the mesh separating the quadrupole and detection regions. Following the recent combination of the buffer gas cell and quadrupole guide apparatus with a linear Paul ion trap, this result could enable one to examine the influence of molecular orientation on ion-molecule reaction dynamics and kinetics.

The pure rotational spectrum of ruthenium monocarbide, RuC, and relativistic ab initio predictions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Fang; Steimle, Timothy C.; Adam, Allan G.

2013-11-07

The J = 1 ← J = 0 and J = 2 ← J = 1 rotational transitions of ruthenium monocarbide, RuC, have been recorded using the separated field pump/probe microwave optical double resonance technique and analyzed to determine the fine and hyperfine parameters for the X{sup 1}Σ{sup +} state. The {sup 101}Ru(I = 5/2) electric quadrupole parameter, eq{sub 0}Q, and nuclear spin-rotation interaction parameter, C{sub I}{sup eff}, were determined to be 433.19(8) MHz and −0.049(6) MHz, respectively. The equilibrium bond distance, r{sub e}, was determined to be 1.605485(2) Å. Hartree-Fock and coupled-cluster calculations were carried out for the propertiesmore » of the X{sup 1}Σ{sup +} state. Electron-correlation effects are pronounced for all properties studied. It is shown that (a) the moderate scalar-relativistic contribution to eq{sub 0}Q is entirely due to the coupling between scalar-relativistic and electron-correlation effects, (b) the spin-free exact two-component theory in its one-electron variant offers a reliable and efficient treatment of scalar-relativistic effects, and (c) non-relativistic theory performs quite well for the prediction of C{sub I}{sup elec}, provided that electron correlation is treated accurately.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimada, Rintaro; Hamaguchi, Hiro-o, E-mail: hhama@nctu.edu.tw

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 themore » 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.« less

A Study of the Momentum Distributions of the Final State Hadrons in Neutrino - Nucleus Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swider, Gregory M.

1980-12-01

In an experiment using the Fermilab 15-foot Bubble Chamber/Two-Plane EMI with a 47 percent (atomic) neon-in-hydrogen fill exposed to the quadrupole-triplet neutrino beam, we have identified some 9600 neutrino charged-current events....

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

NASA Astrophysics Data System (ADS)

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.

Influence of the electron density on the characteristics of terahertz waves generated under laser–cluster interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frolov, A. A., E-mail: frolov@ihed.ras.ru

2016-12-15

A theory of generation of terahertz radiation under laser–cluster interaction, developed earlier for an overdense cluster plasma [A. A. Frolov, Plasma Phys. Rep. 42. 637 (2016)], is generalized for the case of arbitrary electron density. The spectral composition of radiation is shown to substantially depend on the density of free electrons in the cluster. For an underdense cluster plasma, there is a sharp peak in the terahertz spectrum at the frequency of the quadrupole mode of a plasma sphere. As the electron density increases to supercritical values, this spectral line vanishes and a broad maximum at the frequency comparable withmore » the reciprocal of the laser pulse duration appears in the spectrum. The dependence of the total energy of terahertz radiation on the density of free electrons is analyzed. The radiation yield is shown to increase significantly under resonance conditions, when the laser frequency is close to the eigenfrequency of the dipole or quadrupole mode of a plasma sphere.« less

Rapid Quantification of Four Anthocyanins in Red Grape Wine by Hydrophilic Interaction Liquid Chromatography/Triple Quadrupole Linear Ion Trap Mass Spectrometry.

PubMed

Sun, Yongming; Xia, Biqi; Chen, Xiangzhun; Duanmu, Chuansong; Li, Denghao; Han, Chao

2015-01-01

The identification and quantification of four anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, and malvidin-3-O-glucoside) in red grape wine were carried out by hydrophilic interaction liquid chromatography/triple quadrupole linear ion trap MS (HILIC/QTrap-MS/MS). Samples were diluted directly and separated on a Merck ZIC HILIC column with 20 mM ammonium acetate solution-acetonitrile mobile phase. Quantitative data acquisition was carried out in the multiple reaction monitoring mode. Additional identification and confirmation of target compounds were performed using the enhanced product ion mode of the linear ion trap. The LOQs were in the range 0.05-1.0 ng/mL. The average recoveries were in the range 94.6 to 104.5%. The HILIC/QTrap-MS/MS platform offers the best sensitivity and specificity for characterization and quantitative determination of the four anthocyanins in red grape wines and fulfills the quality criteria for routine laboratory application.

Superfluid quenching of the moment of inertia in a strongly interacting Fermi gas

NASA Astrophysics Data System (ADS)

Riedl, S.; Sánchez Guajardo, E. R.; Kohstall, C.; Hecker Denschlag, J.; Grimm, R.

2011-03-01

We report on the observation of a quenched moment of inertia resulting from superfluidity in a strongly interacting Fermi gas. Our method is based on setting the hydrodynamic gas in slow rotation and determining its angular momentum by detecting the precession of a radial quadrupole excitation. The measurements distinguish between the superfluid and collisional origins of hydrodynamic behavior, and show the phase transition.

The Distribution of Galaxies’ Gravitational Field Stemming from Their Tidal Interaction

NASA Astrophysics Data System (ADS)

Stephanovich, Vladimir; Godłowski, Włodzimierz

2015-09-01

We calculate the distribution function of astronomical objects’ (like galaxies and/or smooth halos of different kinds) gravitational fields due to their tidal interaction. For that we apply the statistical method of Chandrasekhar, used originally to calculate the famous Holtzmark distribution. We show that in our approach the distribution function is never Gaussian, its form being dictated by the potential of interaction between objects. This calculation permits us to perform a theoretical analysis of the relation between angular momentum and mass (richness) of the galaxy clusters. To do so, we follow the ideas of Catelan & Theuns and Heavens & Peacock. The main difference is that here we reduce the problem to a discrete many-body case, where all physical properties of the system are determined by the interaction potential V({{\\boldsymbol{r}}}{ij}). The essence of reduction is that we use the multipole (up to quadrupole here) expansion of Newtonian potential so that all hydrodynamic, “extended” characteristics of an object, such as its density mass, are “integrated out,” leaving its “point-like” characteristics, such as mass and quadrupole moment. In that sense we do not distinguish between galaxies and smooth components such as halos. We compare our theoretical results with observational data.

Piriformospora indica Stimulates Root Metabolism of Arabidopsis thaliana.

PubMed

Strehmel, Nadine; Mönchgesang, Susann; Herklotz, Siska; Krüger, Sylvia; Ziegler, Jörg; Scheel, Dierk

2016-07-08

Piriformospora indica is a root-colonizing fungus, which interacts with a variety of plants including Arabidopsis thaliana. This interaction has been considered as mutualistic leading to growth promotion of the host. So far, only indolic glucosinolates and phytohormones have been identified as key players. In a comprehensive non-targeted metabolite profiling study, we analyzed Arabidopsis thaliana's roots, root exudates, and leaves of inoculated and non-inoculated plants by ultra performance liquid chromatography/electrospray ionization quadrupole-time-of-flight mass spectrometry (UPLC/(ESI)-QTOFMS) and gas chromatography/electron ionization quadrupole mass spectrometry (GC/EI-QMS), and identified further biomarkers. Among them, the concentration of nucleosides, dipeptides, oligolignols, and glucosinolate degradation products was affected in the exudates. In the root profiles, nearly all metabolite levels increased upon co-cultivation, like carbohydrates, organic acids, amino acids, glucosinolates, oligolignols, and flavonoids. In the leaf profiles, we detected by far less significant changes. We only observed an increased concentration of organic acids, carbohydrates, ascorbate, glucosinolates and hydroxycinnamic acids, and a decreased concentration of nitrogen-rich amino acids in inoculated plants. These findings contribute to the understanding of symbiotic interactions between plant roots and fungi of the order of Sebacinales and are a valid source for follow-up mechanistic studies, because these symbioses are particular and clearly different from interactions of roots with mycorrhizal fungi or dark septate endophytes.

Detection of Quadrupole Interactions by Muon Level Crossing Resonance

NASA Astrophysics Data System (ADS)

Cox, S. F. J.

1992-02-01

The positive muon proves to be a very versatile and sensitive magnetic resonance probe: implanted in virtually any material its polarisation may be monitored via the asymmetry in its radioactive decay, giving information on the sites occupied by the muon in lattices or molecules, and the local fields experienced at these sites. The scope of these experiments has been greatly extended by the development of a technique of cross relaxation or level crossing resonance which allows quadrupole splittings on nuclei adjacent to the muon to be measured. The principles of the technique and the conditions necessary for detection of the spectra are described, together with a number of applications. Of especial interest is the manner in which muons mimic the behaviour of protons in matter. In metal lattices, for instance, muons invariably adopt the same interstitial sites as do protons in the dilute hydride phases, so that they can be used to study problems of localisation and diffusion common to those of hydrogen in metals. Studies of the muon level crossing resonance in copper have given valuable information on the crystallographic site, electronic structure and low temperature mobility of the interstitial defect. In semiconductors, muons are expected to trap at other impurities - notably acceptors - in processes analogous to the passivation of dopants by hydrogen. Muon resonance offers the exciting prospect of spectroscopic study of these passivation complexes. In molecular materials, substitution of protons by muons can be thought of rather like deuteration. Muons implanted in ice produce a significant change in the quadrupole coupling constant of adjacent 17O nuclei which may be traced to the effects of the large muon zero point energy; the resonance spectrum also exhibits temperature dependent features which may be informative on the nature and lifetime of defects in the ice structure. Muon level crossing resonance has already been studied in an oxide superconductor and this relatively young field is now wide open for quadrupole interaction studies in other materials, using a variety of nuclei.

Density functional calculations of the Mössbauer parameters in hexagonal ferrite SrFe12O19

NASA Astrophysics Data System (ADS)

Ikeno, Hidekazu

2018-03-01

Mössbauer parameters in a magnetoplumbite-type hexagonal ferrite, SrFe12O19, are computed using the all-electron band structure calculation based on the density functional theory. The theoretical isomer shift and quadrupole splitting are consistent with experimentally obtained values. The absolute values of hyperfine splitting parameters are found to be underestimated, but the relative scale can be reproduced. The present results validate the site-dependence of Mössbauer parameters obtained by analyzing experimental spectra of hexagonal ferrites. The results also show the usefulness of theoretical calculations for increasing the reliability of interpretation of the Mössbauer spectra.

Atomistic simulations of CO2 and N2 within cage-type silica zeolites.

PubMed

Madison, Lindsey; Heitzer, Henry; Russell, Colin; Kohen, Daniela

2011-03-01

The behavior of CO(2) and N(2), both as single components and as binary mixtures, in two cage-type silica zeolites was studied using atomistic simulations. The zeolites considered, ITQ-3 and paradigm cage-type zeolite ZK4 (the all-silica analog of LTA), were chosen so that the principles illustrated can be generalized to other adsorbent/adsorbate systems with similar topology and types of interactions. N(2) was chosen both because of the potential uses of N(2)/CO(2) separations and because it differs from CO(2) most significantly in the magnitude of its Coulombic interactions with zeolites. Despite similarities between N(2) and CO(2) diffusion in other materials, we show here that the diffusion of CO(2) within cage-type zeolites is dominated by an energy barrier to diffusion located at the entrance to the narrow channels connecting larger cages. This barrier originates in Coulombic interactions between zeolites and CO(2)'s quadrupole and results in well-defined orientations for the diffusing molecules. Furthermore, CO(2)'s favorable electrostatic interactions with the zeolite framework result in preferential binding in the windows between cages. N(2)'s behavior, in contrast, is more consistent with that of molecules previously studied. Our analysis suggests that CO(2)'s behavior might be common for adsorbates with quadrupoles that interact strongly with a material that has narrow windows between cages.

Probing the Electronic Environment of Methylindoles using Internal Rotation and (14)N Nuclear Quadrupole Coupling.

PubMed

Gurusinghe, Ranil M; Tubergen, Michael J

2016-05-26

High-resolution rotational spectra were recorded in the 10.5-21.0 GHz frequency range for seven singly methylated indoles. (14)N nuclear quadrupole hyperfine structure and spectral splittings arising from tunneling along the internal rotation of the methyl group were resolved for all indole species. The nuclear quadrupole coupling constants were used to characterize the electronic environment of the nitrogen atom, and the program XIAM was used to fit the barrier to internal rotation to the measured transition frequencies. The best fit barriers were found to be 277.1(2), 374.32(4), 414.(5), 331.6(2), 126.8675(15), 121.413(4), and 426(3) cm(-1) for 1-methylindole through 7-methylindole, respectively. The fitted barriers were found to be in good agreement with barriers calculated at the ωB97XD/6-311++G(d,p) level. The complete set of experimental barriers is compared to theoretical investigations of the origins of methyl torsional barriers and confirms that the magnitude of these barriers is an overall effect of individual hyperconjugative and structural interactions of many bonding/antibonding orbitals.

Transition Quadrupole Collectivity of Ar and Cl Isotopes Near N = 28

NASA Astrophysics Data System (ADS)

Winkler, R.; Gade, A.; Brown, B. A.; Glasmacher, T.; Baugher, T. R.; Bazin, D.; Grinyer, G. F.; McDaniel, S.; Meharchand, R.; Ratkiewicz, A.; Stroberg, R.; Walsh, K.; Weisshaar, D.; Riley, L. A.

2010-11-01

Measurements of the reduced quadrupole transition strengths, B(E2; 0^+ -> 2^+) of even-even nuclei guide our understanding of the onset collectivity with the addition of valence nucleons beyond the known shell structure of the atomic nucleus. The study of the quadrupole collectivity of neutron-rich ^47,48Ar and ^45,46Cl via relativistic Coulomb excitation was performed using a cocktail of exotic beams produced by the coupled cyclotron facility at NSCL. Particle tracking and identification was achieved on an event-by-event basis using the S800 high-resolution spectrograph. Gamma rays emitted at the reaction target position in coincidence with the detection of scattered particles were observed with the segmented high-purity Germanium array SeGA, a vital tool for the Doppler reconstruction of each observed event. Results from the present work provide insight into the persistence of the N = 28 shell closure and will be discussed in the framework of the shell model utilizing modern effective interactions in the sdpf valence space. This work is supported by the National Science Foundation under Grants No. PHY-0606007 and PHY-0758099.

Stepped MS(All) Relied Transition (SMART): An approach to rapidly determine optimal multiple reaction monitoring mass spectrometry parameters for small molecules.

PubMed

Ye, Hui; Zhu, Lin; Wang, Lin; Liu, Huiying; Zhang, Jun; Wu, Mengqiu; Wang, Guangji; Hao, Haiping

2016-02-11

Multiple reaction monitoring (MRM) is a universal approach for quantitative analysis because of its high specificity and sensitivity. Nevertheless, optimization of MRM parameters remains as a time and labor-intensive task particularly in multiplexed quantitative analysis of small molecules in complex mixtures. In this study, we have developed an approach named Stepped MS(All) Relied Transition (SMART) to predict the optimal MRM parameters of small molecules. SMART requires firstly a rapid and high-throughput analysis of samples using a Stepped MS(All) technique (sMS(All)) on a Q-TOF, which consists of serial MS(All) events acquired from low CE to gradually stepped-up CE values in a cycle. The optimal CE values can then be determined by comparing the extracted ion chromatograms for the ion pairs of interest among serial scans. The SMART-predicted parameters were found to agree well with the parameters optimized on a triple quadrupole from the same vendor using a mixture of standards. The parameters optimized on a triple quadrupole from a different vendor was also employed for comparison, and found to be linearly correlated with the SMART-predicted parameters, suggesting the potential applications of the SMART approach among different instrumental platforms. This approach was further validated by applying to simultaneous quantification of 31 herbal components in the plasma of rats treated with a herbal prescription. Because the sMS(All) acquisition can be accomplished in a single run for multiple components independent of standards, the SMART approach are expected to find its wide application in the multiplexed quantitative analysis of complex mixtures. Copyright © 2015 Elsevier B.V. All rights reserved.

A Quantitative Determination of Magnetic Nanoparticle Separation Using On-Off Field Operation of Quadrupole Magnetic Field-Flow Fractionation (QMgFFF)

PubMed Central

Orita, Toru; Moore, Lee R.; Joshi, Powrnima; Tomita, Masahiro; Horiuchi, Takashi; Zborowski, Maciej

2014-01-01

Quadrupole Magnetic Field-Flow Fractionation (QMgFFF) is a technique for characterization of sub-micrometer magnetic particles based on their retention in the magnetic field from flowing suspensions. Different magnetic field strengths and volumetric flow rates were tested using on-off field application and two commercial nanoparticle preparations that significantly differed in their retention parameter, λ (by nearly 8-fold). The fractograms showed a regular pattern of higher retention (98.6% v. 53.3%) for the larger particle (200 nm v. 90 nm) at the higher flow rate (0.05 mL/min v. 0.01 mL/min) at the highest magnetic field (0.52 T), as expected because of its lower retention parameter. The significance of this approach is a demonstration of a system that is simpler in operation than a programmed field QMgFFF in applications to particle mixtures consisting of two distinct particle fractions. This approach could be useful for detection of unwanted particulate contaminants, especially important in industrial and biomedical applications. PMID:23842422

Modeling the temporal and spatial variations of the vertical structure of Jupiter's atmosphere using observations of the 3-0 hydrogen quadrupole lines

NASA Technical Reports Server (NTRS)

Cunningham, C. C.; Hunten, D. M.; Tomasko, M. G.

1986-01-01

An observational program was established in 1983 to monitor the spatial and temporal variations in the Jovian atmosphere over short and long time scales. The program involves tracking several different longitudes as they rotate around the planet from one limb to another. This tracking experiment was done at many different wavelengths including the 3-0 S(1) and S(0) hydrogen quadrupole lines as well as several broad band methane absorptions. The June 1983 hydrogen quadrupole data was reduced and equivalent widths were measured for approximately 25 east-west positions across the planet at 7 different latitudes for both wavelengths. The data for the South Tropical Zone (20 deg. S) was modeled extensively and the effects of the various model parameters on the value of the calculated equivalent widths of both lines was measured as a longitude rotated from the east (or morning) limb to the west (or evening) limb. The value of the equivalent width is also quite sensitive to the height of the NH3 cloud top and to the value used for the single scattering albedo. A combination of these parameters changing on a diurnal time scale could also explain these observations. This gradual increase from one limb to the other appears in the data for both the North and South Equatorial Belts as well as the equatorial region and the North Tropical Zone. Models that used only normal hydrogen and models that used only equilibrium hydrogen were studied.

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

PubMed Central

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

2016-01-01

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: 0.2–0.6 min) 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 315 mg L−1 for neutral oligosaccharides and from 83 to 251 mg L−1 for acidic oligosaccharides were found. The combination of both techniques resulted to be useful to achieve a comprehensive characterization of GCO. PMID:26427327

Resonance energy transfer: when a dipole fails.

PubMed

Andrews, David L; Leeder, Jamie M

2009-05-14

The Coulombic coupling of electric dipole (E1) transition moments is the most commonly studied and widely operative mechanism for energy migration in multichromophore systems. However a significant number of exceptions exist, in which donor decay and/or acceptor excitation processes are E1-forbidden. The alternative transfer mechanisms that can apply in such cases include roles for higher multipole transitions, exciton- or phonon-assisted interactions, and non-Coulombic interactions based on electron exchange. A quantum electrodynamical formulation provides a rigorous basis to assess the first of these, specifically addressing the relative significance of higher multipole contributions to the process of energy transfer in donor-acceptor systems where electric dipole transitions are precluded by symmetry. Working within the near-zone limit, where donor-acceptor separations are small in comparison to the chromophore scale, the analysis highlights the contributions of both electric quadrupole-electric quadrupole (E2-E2) coupling and the seldom considered second-order electric dipole-electric dipole (E1(2)-E1(2)) coupling. For both forms of interaction, experimentally meaningful rate equations are secured by the use of orientational averaging, and the mechanisms are analyzed with reference to systems in which E1-forbidden transitions are commonly reported.

Emittance measurements of the CLIO electron beam

NASA Astrophysics Data System (ADS)

Chaput, R.; Devanz, G.; Joly, P.; Kergosien, B.; Lesrel, J.

1997-02-01

We have designed a setup to measure the transverse emittance at the CLIO accelerator exit, based on the "3 gradients" method. The beam transverse size is measured simply by scanning it with a steering coil across a fixed jaw and recording the transmitted current, at various quadrupole strengths. A code then performs a complete calculation of the emittance using the transfer matrix of the quadrupole instead of the usual classical lens approximation. We have studied the influence of various parameters on the emittance: Magnetic field on the e-gun and the peak current. We have also improved a little the emittance by replacing a mismatched pipe between the buncher and accelerating section to avoid wake-field effects; The resulting improvements of the emittance have led to an increase in the FEL emitted power.

Coupling control and optimization at the Canadian Light Source

NASA Astrophysics Data System (ADS)

Wurtz, W. A.

2018-06-01

We present a detailed study using the skew quadrupoles in the Canadian Light Source storage ring lattice to control the parameters of a coupled lattice. We calculate the six-dimensional beam envelop matrix and use it to produce a variety of objective functions for optimization using the Multi-Objective Particle Swarm Optimization (MOPSO) algorithm. MOPSO produces a number of skew quadrupole configurations that we apply to the storage ring. We use the X-ray synchrotron radiation diagnostic beamline to image the beam and we make measurements of the vertical dispersion and beam lifetime. We observe satisfactory agreement between the measurements and simulations. These methods can be used to adjust phase space coupling in a rational way and have applications to fine-tuning the vertical emittance and Touschek lifetime and measuring the gas scattering lifetime.

Detection of caffeine in tea, instant coffee, green tea beverage, and soft drink by direct analysis in real time (DART) source coupled to single-quadrupole mass spectrometry.

PubMed

Wang, Lei; Zhao, Pengyue; Zhang, Fengzu; Bai, Aijuan; Pan, Canping

2013-01-01

Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.

Defining the next generation munitions handler

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cassiday, B.K.; Koury, G.J.; Pin, F.G.

1995-07-01

RHIC 8 cm aperture dipole magnets and quadrupole cold masses are being built for Brookhaven National Laboratory (BNL) by Northrop-Grumman Corporation at a production rate of one dipole magnet and two quadrupole cold masses per day. This work was preceded by a lengthy Technology Transfer effort which is described elsewhere. This paper describes the tooling which is being used for the construction effort, the production operations at each workstation, and also the use of trend plots of critical construction parameters as a tool for monitoring performance in production. A report on the improvements to production labor since the start ofmore » the programs is also provided. The magnet and cold mass designs, and magnetic test results are described in more detail in a separate paper.« less

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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.

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

PubMed

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

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.

Quench Protection of SC Quadrupole Magnets

NASA Astrophysics Data System (ADS)

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.

Detecting primordial gravitational waves with circular polarization of the redshifted 21 cm line. I. Formalism

NASA Astrophysics Data System (ADS)

Hirata, Christopher M.; Mishra, Abhilash; Venumadhav, Tejaswi

2018-05-01

We propose a new method to measure the tensor-to-scalar ratio r using the circular polarization of the 21 cm radiation from the pre-reionization epoch. Our method relies on the splitting of the F =1 hyperfine level of neutral hydrogen due to the quadrupole moment of the cosmic microwave background (CMB). We show that unlike the Zeeman effect, where MF=±1 have opposite energy shifts, the CMB quadrupole shifts MF=±1 together relative to MF=0 . This splitting leads to a small circular polarization of the emitted 21 cm radiation. In this paper (Paper I in a series on this effect), we present calculations on the microphysics behind this effect, accounting for all processes that affect the hyperfine transition. We conclude with an analytic formula for the circular polarization from the Dark Ages as a function of pre-reionization parameters and the value of the remote quadrupole of the CMB. We also calculate the splitting of the F =1 hyperfine level due to other anisotropic radiation sources and show that they are not dominant. In a companion paper (Paper II) we make forecasts for measuring the tensor-to-scalar ratio r using future radio arrays.

The pure rotational spectra of the open-shell diatomic molecules PbI and SnI

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evans, Corey J., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk; Needham, Lisa-Maria E.; Walker, Nicholas R., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk

2015-12-28

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X {sup 2}Π{sub 1/2} ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y{submore » 01}, Y{sub 02}, Y{sub 11}, and Y{sub 21}, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.« less

DIRECT MERCURY ANALYSIS IN ENVIRONMENTAL SOLIDS BY ICPMS WITH ON-LINE SAMPLE ASHING AND MERCURY PRE-CONCENTRATION USING THE DIRECT MERCURY ANALYZER

EPA Science Inventory

A Direct Mercury Analyzer based on sample combustion and mercury concentration by gold amalgamation, followed by atomic absorption determination, was interfaced with a quadrupole and a magnet sector ICPMS. In this paper, we discuss design and operating parameters and eval...

Microwave spectrum and structural parameters for the formamide-formic acid dimer.

PubMed

Daly, Adam M; Sargus, Bryan A; Kukolich, Stephen G

2010-11-07

The rotational spectra for six isotopologues of the complex formed between formamide and formic acid have been measured using a pulsed-beam Fourier transform microwave spectrometer and analyzed to obtain rotational constants and quadrupole coupling parameters. The rotational constants and quadrupole coupling strengths obtained for H  (12)COOH-H(2)  (14)NCOH are A = 5889.465(2), B = 2148.7409(7), 1575.1234(6), eQq(aa) = 1.014(5), eQq(bb) = 1.99(1), and eQq(cc) = -3.00(1) MHz. Using the 15 rotational constants obtained for the H  (13)COOH, HCOOD, DCOOH, and H(2)  (15)NCHO isotopologues, key structural parameters were obtained from a least-squares structure fit. Hydrogen bond distances of 1.78 Å for R(O3⋯H1) and 1.79 Å for R(H4⋯O1) were obtained. The "best fit" value for the angle(C-O-H) of formic acid is significantly larger than the monomer value of 106.9° with an optimum value of 121.7(3)°. The complex is nearly planar with inertial defect Δ = -0.158 amu  Å(2). The formamide proton is moved out of the molecular plane by 15(3)° for the best fit structure. Density functional theory using B3PW91, HCTH407, and TPSS as well as MP2 and CCSD calculations were performed using 6-311++G(d,p) and the results were compared to experimentally determined parameters.

Larp Nb3Sn Quadrupole Magnets for the Lhc Luminosity Upgrade

NASA Astrophysics Data System (ADS)

Ferracin, P.

2010-04-01

The US LHC Accelerator Research Program (LARP) is a collaboration between four US laboratories (BNL, FNAL, LBNL, and SLAC) aimed at contributing to the commissioning and operation of the LHC and conducting R&D on its luminosity upgrade. Within LARP, the Magnet Program's main goal is to demonstrate that Nb3Sn superconducting magnets are a viable option for a future upgrade of the LHC Interaction Regions. Over the past four years, LARP has successfully fabricated and tested several R&D magnets: 1) the subscale quadrupole magnet SQ, to perform technology studies with 300 mm long racetrack coils, 2) the technology quadrupole TQ, to investigate support structure behavior with 1 m long cos 2θ coils, and 3) the long racetrack magnet LR, to test 3.6 m long racetrack coils. The next milestone consists in the fabrication and test of the 3.7 m long quadrupole magnet LQ, with the goal of demonstrating that Nb3Sn technology is mature for use in high energy accelerators. After an overview of design features and test result of the LARP magnets fabricated so far, this paper focuses on the status of the fabrication of LQ: we describe the production of the 3.4 m long cos 2θ coils, and the of the qualification support structure. Finally, the status of the development of the next 1 m long model HQ, conceived to explore stress and field limits of Nb3Sn superconducting, magnets, is presented.

Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon.

PubMed

Hanni, Matti; Lantto, Perttu; Vaara, Juha

2009-04-14

Nuclear magnetic resonance (NMR) of atomic (129/131)Xe is used as a versatile probe of the structure and dynamics of various host materials, due to the sensitivity of the Xe NMR parameters to intermolecular interactions. The principles governing this sensitivity can be investigated using the prototypic system of interacting Xe atoms. In the pairwise additive approximation (PAA), the binary NMR chemical shift, nuclear quadrupole coupling (NQC), and spin-rotation (SR) curves for the xenon dimer are utilized for fast and efficient evaluation of the corresponding NMR tensors in small xenon clusters Xe(n) (n = 2-12). If accurate, the preparametrized PAA enables the analysis of the NMR properties of xenon clusters, condensed xenon phases, and xenon gas without having to resort to electronic structure calculations of instantaneous configurations for n > 2. The binary parameters for Xe(2) at different internuclear distances were obtained at the nonrelativistic Hartree-Fock level of theory. Quantum-chemical (QC) calculations at the corresponding level were used to obtain the NMR parameters of the Xe(n) (n = 2-12) clusters at the equilibrium geometries. Comparison of PAA and QC data indicates that the direct use of the binary property curves of Xe(2) can be expected to be well-suited for the analysis of Xe NMR in the gaseous phase dominated by binary collisions. For use in condensed phases where many-body effects should be considered, effective binary property functions were fitted using the principal components of QC tensors from Xe(n) clusters. Particularly, the chemical shift in Xe(n) is strikingly well-described by the effective PAA. The coordination number Z of the Xe site is found to be the most important factor determining the chemical shift, with the largest shifts being found for high-symmetry sites with the largest Z. This is rationalized in terms of the density of virtual electronic states available for response to magnetic perturbations.

Implementation of dipolar direct current (DDC) collision-induced dissociation in storage and transmission modes on a quadrupole/time-of-flight tandem mass spectrometer.

PubMed

Webb, Ian K; Londry, Frank A; McLuckey, Scott A

2011-09-15

Means for effecting dipolar direct current collision-induced dissociation (DDC CID) on a quadrupole/time-of-flight in a mass spectrometer have been implemented for the broadband dissociation of a wide range of analyte ions. The DDC fragmentation method in electrodynamic storage and transmission devices provides a means for inducing fragmentation of ions over a large mass-to-charge range simultaneously. It can be effected within an ion storage step in a quadrupole collision cell that is operated as a linear ion trap or as ions are continuously transmitted through the collision cell. A DDC potential is applied across one pair of rods in the quadrupole collision cell of a QqTOF hybrid mass spectrometer to effect fragmentation. In this study, ions derived from a small drug molecule, a model peptide, a small protein, and an oligonucleotide were subjected to the DDC CID method in either an ion trapping or an ion transmission mode (or both). Several key experimental parameters that affect DDC CID results, such as time, voltage, low mass cutoff, and bath gas pressure, are illustrated with protonated leucine enkephalin. The DDC CID dissociation method gives a readily tunable, broadband tool for probing the primary structures of a wide range of analyte ions. The method provides an alternative to the narrow resonance conditions of conventional ion trap CID and it can access more extensive sequential fragmentation, depending upon conditions. The DDC CID approach constitutes a collision analog to infrared multiphoton dissociation (IRMPD). Copyright © 2011 John Wiley & Sons, Ltd.

Simultaneous analysis by Quadrupole-Orbitrap mass spectrometry and UHPLC-MS/MS for the determination of sedative-hypnotics and sleep inducers in adulterated products.

PubMed

Lee, Ji Hyun; Park, Han Na; Choi, Ji Yeon; Kim, Nam Sook; Park, Hyung-Joon; Park, Seong Soo; Baek, Sun Young

2017-12-01

Adulterated products are continuously detected in society and cause problems. In this study, we developed and validated a method for determining synthetic sedative-hypnotics and sleep inducers, including barbital, benzodiazepam, zolpidem, and first-generation antihistamines, in adulterated products using Quadrupole-Orbitrap mass spectrometry and ultrahigh performance liquid chromatography with tandem mass spectrometry. In Quadrupole-Orbitrap mass spectrometry analysis, target compounds were confirmed using a combination of retention time, mass tolerance, mass accuracy, and fragment ions. For quantification, several validation parameters were employed using ultrahigh performance liquid chromatography with tandem mass spectrometry. The limit of detection and limit of quantitation was 0.05-53 and 0.17-177 ng/mL, respectively. The correlation coefficient for linearity was more than 0.995. The intra- and interassay accuracies were 86-110 and 84-111%, respectively. Their precision values were evaluated as within 4.0 (intraday) and 10.7% (interday). Mean recoveries of target compounds in adulterated products ranged from 85 to 116%. The relative standard deviation of stability was less than 10.7% at 4°C for 48 h. The 144 adulterated products obtained over 3 years (2014-2016) from online and in-person vendors were tested using established methods. After rapidly screening with Quadrupole-Orbitrap mass spectrometry, the detected samples were quantified using ultrahigh performance liquid chromatography with tandem mass spectrometry. Two of them were adulterated with phenobarbital. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spatial Control of Laser Wakefield Accelerated Electron Beams

NASA Astrophysics Data System (ADS)

Maksimchuk, A.; Behm, K.; Zhao, T.; Joglekar, A. S.; Hussein, A.; Nees, J.; Thomas, A. G. R.; Krushelnick, K.; Elle, J.; Lucero, A.; Samarin, G. M.; Sarry, G.; Warwick, J.

2017-10-01

The laser wakefield experiments to study and control spatial properties of electron beams were performed using HERCULES laser at the University of Michigan at power of 100 TW. In the first experiment multi-electron beam generation was demonstrated using co-propagating, parallel laser beams with a π-phase shift mirror and showing that interaction between the wakefields can cause injection to occur for plasma and laser parameters in which a single wakefield displays no significant injection. In the second experiment a magnetic triplet quadrupole system was used to refocus and stabilize electron beams at the distance of 60 cm from the interaction region. This produced a 10-fold increase in remote gamma-ray activation of 63Cu using a lead converter. In the third experiment measurements of un-trapped electrons with high transverse momentum produce a 500 mrad (FWHM) ring. This ring is formed by electrons that receive a forward momentum boost by traversing behind the bubble and its size is inversely proportional to the plasma density. The characterization of divergence and charge of this electron ring may reveal information about the wakefield structure and trapping potential. Supported by U.S. Department of Energy and the National Nuclear Security Administration and Air Force Office of Scientific Research.

Fan noise caused by the ingestion of anisotropic turbulence - A model based on axisymmetric turbulence theory

NASA Technical Reports Server (NTRS)

Kerschen, E. J.; Gliebe, P. R.

1980-01-01

An analytical model of fan noise caused by inflow turbulence, a generalization of earlier work by Mani, is presented. Axisymmetric turbulence theory is used to develop a statistical representation of the inflow turbulence valid for a wide range of turbulence properties. Both the dipole source due to rotor blade unsteady forces and the quadrupole source resulting from the interaction of the turbulence with the rotor potential field are considered. The effects of variations in turbulence properties and fan operating conditions are evaluated. For turbulence axial integral length scales much larger than the blade spacing, the spectrum is shown to consist of sharp peaks at the blade passing frequency and its harmonics, with negligible broadband content. The analysis can then be simplified considerably and the total sound power contained within each spectrum peak becomes independent of axial length scale, while the width of the peak is inversely proportional to this parameter. Large axial length scales are characteristic of static fan test facilities, where the transverse contraction of the inlet flow produces highly anisotropic turbulence. In this situation, the rotor/turbulence interaction noise is mainly caused by the transverse component of turbulent velocity.

Thermal noise in aqueous quadrupole micro- and nano-traps

DOE PAGES

Park, Jae; Krstić, Predrag S.

2012-02-27

Recent simulations and experiments with aqueous quadrupole micro-traps have confirmed a possibility for control and localization of motion of a charged particle in a water environment, also predicting a possibility of further reduction of the trap size to tens of nano-meters for trapping charged bio-molecules and DNA segments. We study the random thermal noise due to Brownian motion in water which significantly influences the trapping of particles in an aqueous environment. We derive the exact, closed-form expressions for the thermal fluctuations of position and velocity of a trapped particle and thoroughly examine the properties of the rms for the fluctuationsmore » as functions of the system parameters and time. The instantaneous signal transferring mechanism between the velocity and position fluctuations could not be achieved in the previous phase-average approaches.« less

KCTF evolution of trans-neptunian binaries: Connecting formation to observation

NASA Astrophysics Data System (ADS)

Porter, Simon B.; Grundy, William M.

2012-08-01

Recent observational surveys of trans-neptunian binary (TNB) systems have dramatically increased the number of known mutual orbits. Our Kozai Cycle Tidal Friction (KCTF) simulations of synthetic trans-neptunian binaries show that tidal dissipation in these systems can completely reshape their original orbits. Specifically, solar torques should have dramatically accelerated the semimajor axis decay and circularization timescales of primordial (or recently excited) TNBs. As a result, our initially random distribution of TNBs in our simulations evolved to have a large population of tight circular orbits. This tight circular population appears for a range of TNO physical properties, though a strong gravitational quadrupole can prevent some from fully circularizing. We introduce a stability parameter to predict the effectiveness of KCTF on a TNB orbit, and show that a number of known TNBs must have a large gravitational quadrupole to be stable.

Complementary π-π interactions induce multicomponent coassembly into functional fibrils.

PubMed

Ryan, Derek M; Doran, Todd M; Nilsson, Bradley L

2011-09-06

Noncovalent self-assembled materials inspired by amyloid architectures are useful for biomedical applications ranging from regenerative medicine to drug delivery. The selective coassembly of complementary monomeric units to provide ordered multicomponent fibrils is a possible strategy for enhancing the sophistication of these noncovalent materials. Herein we report that complementary π-π interactions can be exploited to promote the coassembly of phenylalanine (Phe) derivatives that possess complementary aromatic side-chain functionality. Specifically, equimolar mixtures of Fmoc-Phe and Fmoc-F(5)-Phe, which possess side-chain groups with complementary quadrupole electronics, readily coassemble to form two-component fibrils and hydrogels under conditions where Fmoc-Phe alone fails to self-assemble. In addition, it was found that equimolar mixtures of Fmoc-Phe with monohalogenated (F, Cl, and Br) Fmoc-Phe derivatives also coassembled into two-component fibrils. These results collectively indicate that face-to-face quadrupole stacking between benzyl side-chain groups does not account for the molecular recognition between Phe and halogenated Phe derivatives that promote cofibrillization but that coassembly is mediated by more subtle π-π effects arising from the halogenation of the benzyl side chain. The use of complementary π-π interactions to promote the coassembly of two distinct monomeric units into ordered two-component fibrils dramatically expands the repertoire of noncovalent interactions that can be used in the development of sophisticated noncovalent materials. © 2011 American Chemical Society

I. The theory of aberrations of quadrupole focusing arrays. II. Ion optical design of high quality extracted synchrotron beams with application to the bevatron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meads, Jr, Philip Francis

In Part One they formulate in a general way the problem of analyzing and evaluating the aberrations of quadrupole magnet beam systems, and of characterizing the shapes and other properties of the beam envelopes in the neighborhood of foci. They consider all aberrations, including those due to misalignments and faulty construction, through third order in small parameters, for quadrupole beam systems. One result of this study is the development of analytic and numerical techniques for treating these aberrations, yielding useful expressions for the comparison of the aberrations of different beam systems. A second result of this study is a comprehensivemore » digital computer program that determines the magnitude and nature of the aberrations of such beam systems. The code, using linear programming techniques, will adjust the parameters of a beam system to obtain specified optical properties and to reduce the magnitude of aberrations that limit the performance of that system. They examine numerically, in detail, the aberrations of two typical beam systems. In Part Two, they examine the problem of extracting the proton beam from a synchrotron of 'H' type magnet construction. They describe the optical studies that resulted in the design of an external beam from the Bevatron that is optimized with respect to linear, dispersive, and aberration properties and that uses beam elements of conservative design. The design of the beam is the result of the collaboration of many people representing several disciplines. They describe the digital computer programs developed to carry out detailed orbit studies which were required because of the existence of large second order aberrations in the beam.« less

Dimeric Fe (II, III) complex of quinoneoxime as functional model of PAP enzyme: Mössbauer, magneto-structural and DNA cleavage studies

NASA Astrophysics Data System (ADS)

Salunke-Gawali, Sunita; Ahmed, Khursheed; Varret, François; Linares, Jorge; Zaware, Santosh; Date, Sadgopal; Rane, Sandhya

2008-07-01

Purple acid phosphatase, ( PAP), is known to contain dinuclear Fe2 + 2, + 3 site with characteristic Fe + 3 ← Tyr ligand to metal charge transfer in coordination. Phthiocoloxime (3-methyl-2-hydroxy-1,4-naphthoquinone-1-oxime) ligand L, mimics (His/Tyr) ligation with controlled and unique charge transfers resulting in valence tautomeric coordination with mixed valent diiron site in model compound Fe-1: [μ-OH-Fe2 + 2, + 3 ( o-NQCH3ox) ( o-NSQCH3ox)2 (CAT) H2O]. Fe-2: [Fe + 3( o-NQCH3ox) ( p-NQCH3ox)2]2 a molecularly associated dimer of phthiocoloxime synthesized for comparison of charge transfer. 57Fe Mössbauer studies was used to quantitize unusual valences due to ligand in dimeric Fe-1 and Fe-2 complexes which are supported by EPR and SQUID studies. 57Fe Mössbauer spectra for Fe-1 at 300 K indicates the presence of two quadrupole split asymmetric doublets due to the differences in local coordination geometries of [Fe + 3]A and [Fe + 2]B sites. The hyperfine interaction parameters are δ A = 0.152, (Δ E Q)A = 0.598 mm/s with overlapping doublet at δ B = 0.410 and (Δ E Q)B = 0.468 mm/s. Due to molecular association tendency of ligand, dimer Fe-2 possesses 100% Fe + 3(h.s.) hexacoordinated configuration with isomer shift δ = 0.408 mm/s. Slightly distorted octahedral symmetry created by NQCH3ox ligand surrounding Fe + 3(h.s.) state generates small field gradient indicated by quadrupole split Δ E Q = 0.213 mm/s. Decrease of isomer shifts together with variation of quadrupole splits with temperature in Fe-1 dimer compared to Fe-2 is result of charge transfers in [Fe2 + 2, + 3 SQ] complexes. EPR spectrum of Fe-1 shows two strong signals at g 1 = 4.17 and g 2 = 2.01 indicative of S = 3/2 spin state with an intermediate spin of Fe + 3(h.s.) configuration. SQUID data of χ _m^{corr} .T were best fitted by using HDVV spin pair model S = 2, 3/2 resulting in antiferromagnetic exchange ( J = -13.5 cm - 1 with an agreement factor of R = 1.89 × 10 - 5). The lower J value of antiferromagnetic exchange leads to Fe+3μ-(OH) Fe + 2 bridging in Fe-1 dimer instead of μ-oxo bridge. The intermolecular association through H-bonds may lead to weakly coupled antiferromagnetic interaction between two Fe-2 molecules having Fe + 3(h.s.) centers. Using S = 5/2, 5/2 spin pair model we obtained best-fitted parameters such as J = -12.4 cm - 1, g = 2.3 with R = 3.58 × 10 - 5. Synthetic strategy results in non-equivalent iron sites in Fe-1 dimer analogues to PAP enzyme hence its reconstitution results in pUC-19 DNA cleavage activity, as physiological functionality of APase. It is compared with nuclease activity of Fe-2 RAPase.

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.

PubMed

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.

Effects of the quadrupole wakefields in a passive streaker

DOE PAGES

Craievich, Paolo; Lutman, Alberto A.

2016-10-05

A novel method based on transverse wakefields has been recently proposed to characterize the temporal profile of a relativistic electron bunch. The electron bunch is streaked by the interaction with the transverse wakefield excited when the electrons travel off-axis in a device called the passive streaker. Furthermore, for the large transverse off-axis offsets required to effectively streak the electron bunch, higher order modes can be excited. The time-dependent quadrupole wakefield of the dielectric-lined structure can cause a significant enlargement of the transverse profile at the screen. Consequently, the measurement resolution is decreased also at the bunch tail. We report onmore » how the temporal profile can be effectively reconstructed also including the defocusing effect for a given transverse beam distribution at the passive streaker.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Chi; Arvapally, Ravi K.; Tekarli, Sammer M.

The trinuclear triangle-shaped system [tris{3,5-bis(heptafluoropropyl)-1,2,4-triazolatosilver(I)}] (1) and the multi-armed square-shaped metalloporphyrin PtOEP or the free porphyrin base H2OEP serve as excellent octopus hosts (OEP=2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine). Coupling of the fluorous/organic molecular octopi 1 and H2OEP or PtOEP by strong quadrupole-quadrupole and metal- interactions affords the supramolecular assemblies [1PtOEP] or [1H(2)OEP] (2a), which feature nanoscopic cavities surrounding the upper triangular and lower square cores. The fluorous/organic biphasic configuration of [1PtOEP] leads to an increase in the phosphorescence of PtOEP under ambient conditions. Guest molecules can be included in the biphasic double-octopus assembly in three different site-selective modes.

Isoscalar neutron-proton pairing and SU(4)-symmetry breaking in Gamow-Teller transitions

NASA Astrophysics Data System (ADS)

Kaneko, K.; Sun, Y.; Mizusaki, T.

2018-05-01

The isoscalar neutron-proton pairing is thought to be important for nuclei with equal number of protons and neutrons but its manifestation in structure properties remains to be understood. We investigate the Gamow-Teller (GT) transitions for the f7 /2-shell nuclei in large-scale shell-model calculations with the realistic Hamiltonian. We show that the isoscalar T =0 ,Jπ=1+ neutron-proton pairing interaction plays a decisive role for the concentration of GT strengths at the first-excited 11+ state in 42Sc, and that the suppression of these strengths in 46V, 50Mn, and 54Co is mainly caused by the spin-orbit force supplemented by the quadrupole-quadrupole interaction. Based on the good reproduction of the charge-exchange reaction data, we further analyze the interplay between the isoscalar and isovector pairing correlations. We conclude that even for the most promising A =42 nuclei where the SU(4) isoscalar-isovector-pairing symmetry is less broken, the probability of forming an isoscalar neutron-proton pairing condensation is less than 60% as compared to the expectation at the SU(4)-symmetry limit.

Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamasha, Safeia, E-mail: safeia@hu.edu.jo

2013-11-15

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are consideredmore » by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.« less

Novel tunable green-red-emitting oxynitride phosphors co-activated with Ce3+, Tb3+, and Eu3+: photoluminescence and energy transfer.

PubMed

Huo, Jiansheng; Dong, Langping; Lü, Wei; Shao, Baiqi; You, Hongpeng

2017-07-14

A series of novel Ce 3+ , Tb 3+ and Eu 3+ ion doped Y 4 SiAlO 8 N-based oxynitride phosphors were synthesized by the solid-state method and characterized by X-ray powder diffraction, scanning electron microscopy, photoluminescence, lifetimes and thermo-luminescence. The excitation of the Ce 3+ /Tb 3+ co-doped and Ce 3+ /Tb 3+ /Eu 3+ tri-doped phosphor with near-UV radiation results in strong linear Tb 3+ green and Eu 3+ red emission. The occurrence of Ce 3+ -Tb 3+ and Ce 3+ -Tb 3+ -Eu 3+ energy transfer processes is responsible for the bright green or red luminescence. The Tb 3+ ion acting as an energy transfer bridge can alleviate MMCT quenching between the Ce 3+ -Eu 3+ ion pairs. The lifetime measurements demonstrated that the energy-transfer mechanisms of Ce 3+ → Tb 3+ and Tb 3+ → Eu 3+ are dipole-quadrupole and quadrupole-quadrupole interactions, respectively. The temperature dependent luminescence measurements showed that as-prepared green/red phosphors have good thermal stability against temperature quenching. The obtained results indicate that these phosphors might serve as promising candidates for n-UV LEDs.

Fabrication of First 4-m Coils for the LARP MQXFA Quadrupole and Assembly in Mirror Structure

DOE PAGES

Holik, Eddie Frank; Ambrosio, Giorgio; Anerella, Michael; ...

2017-01-23

The US LHC Accelerator Research Program is constructing prototype interaction region quadrupoles as part of the US in-kind contribution to the Hi-Lumi LHC project. The low-beta MQXFA Q1/Q3 coils have a 4-m length and a 150 mm bore. The design is first validated on short, one meter models (MQXFS) developed as part of the longstanding Nb3Sn quadrupole R&D by LARP in collaboration with CERN. In parallel, facilities and tooling are being developed and refined at BNL, LBNL, and FNAL to enable long coil production, assembly, and cold testing. Long length scale-up is based on the experience from the LARP 90more » mm aperture (TQ-LQ) and 120 mm aperture (HQ and Long HQ) programs. A 4-m long MQXF practice coil was fabricated, water jet cut and analyzed to verify procedures, parts, and tooling. In parallel, the first complete prototype coil (QXFP01a) was fabricated and assembled in a long magnetic mirror, MQXFPM1, to provide early feedback on coil design and fabrication following the successful experience of previous LARP mirror tests.« less

Mechanical Design Studies of the MQXF Long Model Quadrupole for the HiLumi LHC

DOE PAGES

Pan, Heng; Anderssen, Eric; Ambrosio, Giorgio; ...

2016-12-20

The Large Hadron Collider Luminosity upgrade (HiLumi) program requires new low-β triplet quadrupole magnets, called MQXF, in the Interaction Region (IR) to increase the LHC peak and integrated luminosity. The MQXF magnets, designed and fabricated in collaboration between CERN and the U.S. LARP, will all have the same cross section. The MQXF long model, referred as MQXFA, is a quadrupole using the Nb3Sn superconducting technology with 150 mm aperture and a 4.2 m magnetic length and is the first long prototype of the final MQXF design. The MQXFA magnet is based on the previous LARP HQ and MQXFS designs. Inmore » this paper we present the baseline design of the MQXFA structure with detailed 3D numerical analysis. A detailed tolerance analysis of the baseline case has been performed by using a 3D finite element model, which allows fast computation of structures modelled with actual tolerances. Tolerance sensitivity of each component is discussed to verify the actual tolerances to be achieved by vendors. In conclusion, tolerance stack-up analysis is presented in the end of this paper.« less

Field Tolerances for the Triplet Quadrupoles of the LHC High Luminosity Lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nosochkov, Yuri; Cai, Y.; Jiao, Y.

2012-06-25

It has been proposed to implement the so-called Achromatic Telescopic Squeezing (ATS) scheme in the LHC high luminosity (HL) lattice to reduce beta functions at the Interaction Points (IP) up to a factor of 8. As a result, the nominal 4.5 km peak beta functions reached in the Inner Triplets (IT) at collision will be increased by the same factor. This, therefore, justifies the installation of new, larger aperture, superconducting IT quadrupoles. The higher beta functions will enhance the effects of the triplet quadrupole field errors leading to smaller beam dynamic aperture (DA). To maintain the acceptable DA, the effectsmore » of the triplet field errors must be re-evaluated, thus specifying new tolerances. Such a study has been performed for the so-called '4444' collision option of the HL-LHC layout version SLHCV3.01, where the IP beta functions are reduced by a factor of 4 in both planes with respect to a pre-squeezed value of 60 cm at two collision points. The dynamic aperture calculations were performed using SixTrack. The impact on the triplet field quality is presented.« less

Electronic and Magnetic Structures, Magnetic Hyperfine Fields and Electric Field Gradients in UX3 (X = In, Tl, Pb) Intermetallic Compounds

NASA Astrophysics Data System (ADS)

Khan, Sajid; Yazdani-Kachoei, Majid; Jalali-Asadabadi, Saeid; Farooq, Muhammad Bilal; Ahmad, Iftikhar

2018-02-01

Cubic uranium compounds such as UX3 (X is a non-transition element of groups IIIA or IVA) exhibit highly diverse magnetic properties, including Pauli paramagnetism, spin fluctuation and anti-ferromagnetism. In the present paper, we explore the structural, electronic and magnetic properties as well as the hyperfine fields (HFFs) and electric field gradients (EFGs) with quadrupole coupling constant of UX3 (X = In, Tl, Pb) compounds using local density approximation, Perdew-Burke-Ernzerhof parametrization of generalized gradient approximation (PBE-GGA) including the Hubbard U parameter (GGA + U), a revised version of PBE-GGA that improves equilibrium properties of densely packed solids and their surfaces (PBEsol-GGA), and a hybrid functional (HF-PBEsol). The spin orbit-coupling calculations have been added to investigate the relativistic effect of electrons in these materials. The comparison between the experimental parameters and our calculated structural parameters we confirm the consistency and effectiveness of our theoretical tools. The computed magnetic moments show that magnetic moment increases from indium to lead in the UX3 family, and all these compounds are antiferromagnetic in nature. The EFGs and HFFs, as well as the quadrupole coupling constant of UX3 (X = In, Tl, Pb), are discussed in detail. These properties primarily originate from f and p states of uranium and post-transition sites.

A separate universe view of the asymmetric sky

NASA Astrophysics Data System (ADS)

Kobayashi, Takeshi; Cortês, Marina; Liddle, Andrew R.

2015-05-01

We provide a unified description of the hemispherical asymmetry in the cosmic microwave background generated by the mechanism proposed by Erickcek, Kamionkowski, and Carroll, using a δ Script N formalism that consistently accounts for the asymmetry-generating mode throughout. We derive a general form for the power spectrum which explicitly exhibits the broken translational invariance. This can be directly compared to cosmic microwave background observables, including the observed quadrupole and fNL values, automatically incorporating the Grishchuk-Zel'dovich effect. Our calculation unifies and extends previous calculations in the literature, in particular giving the full dependence of observables on the phase of our location in the super-horizon mode that generates the asymmetry. We demonstrate how the apparently different results obtained by previous authors arise as different limiting cases. We confirm the existence of non-linear contributions to the microwave background quadrupole from the super-horizon mode identified by Erickcek et al. and further explored by Kanno et al., and show that those contributions are always significant in parameter regimes capable of explaining the observed asymmetry. We indicate example parameter values capable of explaining the observed power asymmetry without violating other observational bounds.

Ray Tracing through the Edge Focusing of Rectangular Benders and an Improved Model for the Los Alamos Proton Storage Ring

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolski, Jeffrey S.; Barlow, David B.; Macek, Robert J.

2011-01-01

Particle ray tracing through simulated 3D magnetic fields was executed to investigate the effective quadrupole strength of the edge focusing of the rectangular bending magnets in the Los Alamos Proton Storage Ring (PSR). The particle rays receive a kick in the edge field of the rectangular dipole. A focal length may be calculated from the particle tracking and related to the fringe field integral (FINT) model parameter. This tech note introduces the baseline lattice model of the PSR and motivates the need for an improvement in the baseline model's vertical tune prediction, which differs from measurement by .05. An improvedmore » model of the PSR is created by modifying the fringe field integral parameter to those suggested by the ray tracing investigation. This improved model is then verified against measurement at the nominal PSR operating set point and at set points far away from the nominal operating conditions. Lastly, Linear Optics from Closed Orbits (LOCO) is employed in an orbit response matrix method for model improvement to verify the quadrupole strengths of the improved model.« less

A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces

NASA Astrophysics Data System (ADS)

Kleppmann, Nicola; Klapp, Sabine H. L.

2015-02-01

Hybrid systems consisting of organic molecules at inorganic semiconductor surfaces are gaining increasing importance as thin film devices for optoelectronics. The efficiency of such devices strongly depends on the collective behavior of the adsorbed molecules. In the present paper, we propose a novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO). Within our model, intermolecular interactions are represented via a Gay-Berne potential (describing steric and van-der-Waals interactions) combined with the electrostatic potential between two linear quadrupoles. Similarly, the molecule-substrate interactions include a coupling between a linear molecular quadrupole to the electric field generated by the line charges characterizing ZnO(10-10). To validate our approach, we perform equilibrium Monte Carlo simulations, where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous. We use these simulations to investigate orientational ordering in the condensed state. We reproduce various experimentally observed features such as the alignment of individual molecules with the line charges on the surface, the formation of a standing uniaxial phase with a herringbone structure, as well as the formation of a lying nematic phase.

Long range intermolecular interactions between the alkali diatomics Na2, K2, and NaK

NASA Astrophysics Data System (ADS)

Zemke, Warren T.; Byrd, Jason N.; Michels, H. Harvey; Montgomery, John A.; Stwalley, William C.

2010-06-01

Long range interactions between the ground state alkali diatomics Na2-Na2, K2-K2, Na2-K2, and NaK-NaK are examined. Interaction energies are first determined from ab initio calculations at the coupled-cluster with singles, doubles, and perturbative triples [CCSD(T)] level of theory, including counterpoise corrections. Long range energies calculated from diatomic molecular properties (polarizabilities and dipole and quadrupole moments) are then compared with the ab initio energies. A simple asymptotic model potential ELR=Eelec+Edisp+Eind is shown to accurately represent the intermolecular interactions for these systems at long range.

Long range intermolecular interactions between the alkali diatomics Na(2), K(2), and NaK.

PubMed

Zemke, Warren T; Byrd, Jason N; Michels, H Harvey; Montgomery, John A; Stwalley, William C

2010-06-28

Long range interactions between the ground state alkali diatomics Na(2)-Na(2), K(2)-K(2), Na(2)-K(2), and NaK-NaK are examined. Interaction energies are first determined from ab initio calculations at the coupled-cluster with singles, doubles, and perturbative triples [CCSD(T)] level of theory, including counterpoise corrections. Long range energies calculated from diatomic molecular properties (polarizabilities and dipole and quadrupole moments) are then compared with the ab initio energies. A simple asymptotic model potential E(LR)=E(elec)+E(disp)+E(ind) is shown to accurately represent the intermolecular interactions for these systems at long range.

Optimized multiple quantum MAS lineshape simulations in solid state NMR

NASA Astrophysics Data System (ADS)

Brouwer, William J.; Davis, Michael C.; Mueller, Karl T.

2009-10-01

The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have half-integer spin I>1/2, with corresponding electric quadrupole moment. As such, they may couple with a surrounding electric field gradient. This effect introduces anisotropic line broadening to spectra, arising from distinct chemical species within polycrystalline solids. In Multiple Quantum Magic Angle Spinning (MQMAS) experiments, a second frequency dimension is created, devoid of quadrupolar anisotropy. As a result, the center of gravity of peaks in the high resolution dimension is a function of isotropic second order quadrupole and chemical shift alone. However, for complex materials, these parameters take on a stochastic nature due in turn to structural and chemical disorder. Lineshapes may still overlap in the isotropic dimension, complicating the task of assignment and interpretation. A distributed computational approach is presented here which permits simulation of the two-dimensional MQMAS spectrum, generated by random variates from model distributions of isotropic chemical and quadrupole shifts. Owing to the non-convex nature of the residual sum of squares (RSS) function between experimental and simulated spectra, simulated annealing is used to optimize the simulation parameters. In this manner, local chemical environments for disordered materials may be characterized, and via a re-sampling approach, error estimates for parameters produced. Program summaryProgram title: mqmasOPT Catalogue identifier: AEEC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3650 No. of bytes in distributed program, including test data, etc.: 73 853 Distribution format: tar.gz Programming language: C, OCTAVE Computer: UNIX/Linux Operating system: UNIX/Linux Has the code been vectorised or parallelized?: Yes RAM: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 3.5M, SMP AMD opteron Classification: 2.3 External routines: OCTAVE ( http://www.gnu.org/software/octave/), GNU Scientific Library ( http://www.gnu.org/software/gsl/), OPENMP ( http://openmp.org/wp/) Nature of problem: The optimal simulation and modeling of multiple quantum magic angle spinning NMR spectra, for general systems, especially those with mild to significant disorder. The approach outlined and implemented in C and OCTAVE also produces model parameter error estimates. Solution method: A model for each distinct chemical site is first proposed, for the individual contribution of crystallite orientations to the spectrum. This model is averaged over all powder angles [1], as well as the (stochastic) parameters; isotropic chemical shift and quadrupole coupling constant. The latter is accomplished via sampling from a bi-variate Gaussian distribution, using the Box-Muller algorithm to transform Sobol (quasi) random numbers [2]. A simulated annealing optimization is performed, and finally the non-linear jackknife [3] is applied in developing model parameter error estimates. Additional comments: The distribution contains a script, mqmasOpt.m, which runs in the OCTAVE language workspace. Running time: Example: (1597 powder angles) × (200 Samples) × (81 F2 frequency pts) × (31 F1 frequency points) = 58.35 seconds, SMP AMD opteron. References:S.K. Zaremba, Annali di Matematica Pura ed Applicata 73 (1966) 293. H. Niederreiter, Random Number Generation and Quasi-Monte Carlo Methods, SIAM, 1992. T. Fox, D. Hinkley, K. Larntz, Technometrics 22 (1980) 29.

Millimeter wave spectrum of nitromethane

NASA Astrophysics Data System (ADS)

Ilyushin, Vadim

2018-03-01

A new study of the millimeter wave spectrum of nitromethane, CH3NO2, is reported. The new measurements covering the frequency range from 49 GHz to 237 GHz have been carried out using the spectrometer in IRA NASU (Ukraine). Transitions belonging to the |m| ≤ 8 torsional states have been analyzed using the Rho-axis-method and the RAM36 program, which has been modified for this study to take into account the quadrupole hyperfine structure due to presence of the nitrogen atom. A data set consisting of 5925 microwave line frequencies and including transitions with J up to 55 was fit using a model consisting of 97 parameters, and a weighted root-mean-square deviation of 0.84 was achieved. The analysis of the spectrum covers the m torsional states lying below the lowest small amplitude vibration in nitromethane molecule, which is the NO2 in plane rock at 475 cm-1. It serves as a preparatory step in further studies of intervibrational interactions in this molecule.

Computer programs of information processing of nuclear physical methods as a demonstration material in studying nuclear physics and numerical methods

NASA Astrophysics Data System (ADS)

Bateev, A. B.; Filippov, V. P.

2017-01-01

The principle possibility of using computer program Univem MS for Mössbauer spectra fitting as a demonstration material at studying such disciplines as atomic and nuclear physics and numerical methods by students is shown in the article. This program is associated with nuclear-physical parameters such as isomer (or chemical) shift of nuclear energy level, interaction of nuclear quadrupole moment with electric field and of magnetic moment with surrounded magnetic field. The basic processing algorithm in such programs is the Least Square Method. The deviation of values of experimental points on spectra from the value of theoretical dependence is defined on concrete examples. This value is characterized in numerical methods as mean square deviation. The shape of theoretical lines in the program is defined by Gaussian and Lorentzian distributions. The visualization of the studied material on atomic and nuclear physics can be improved by similar programs of the Mössbauer spectroscopy, X-ray Fluorescence Analyzer or X-ray diffraction analysis.

Elastic moduli of the distorted Kagome-lattice ferromagnet Nd3Ru4Al12

NASA Astrophysics Data System (ADS)

Suzuki, Takashi; Mizuno, Takuyou; Takezawa, Kohki; Kamikawa, Shuhei; Andreev, Alexander V.; Gorbunov, Denis I.; Henriques, Margarida S.; Ishii, Isao

2018-05-01

The distorted kagome-lattice compound Nd3Ru4Al12 has the hexagonal structure. This compound is reported as a ferromagnet in which spins are aligned along the c-axis with the Curie temperature TC = 39 K . The nature of localized f-electrons is expected in Nd3Ru4Al12, and magnetic anisotropy can be attributed to a crystal electric field (CEF) effect. We performed ultrasonic measurements on a Nd3Ru4Al12 single-crystalline sample in order to investigate the phase transition at TC and the CEF effect. All longitudinal and transverse elastic moduli increase monotonically with decreasing temperature, and no clear elastic softening due to a quadrupole interaction is detected under the hexagonal CEF. This result is in contrast to an isomorphic compound Dy3Ru4Al12 with a remarkable elastic softening of the transverse modulus C44. At the ferromagnetic phase transition, the moduli show obvious elastic anomalies, suggesting characteristic couplings between a strain and a magnetic order parameter.

A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arsenault, Eric A.; Obenchain, Daniel A.; Blake, Thomas A.

2017-05-01

The first microwave study of 1-iodobutane, performed by Steinmetz et al.in 1977) led to the determination of the B + C parameter for the anti-anti­and gauche-anti-conformers. Nearly 40 years later, this reinvestigation of 1- iodobutane, by high-resolution microwave spectroscopy, led to the determina­tion of rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants (NQCCs), and nuclear-sp rotation constants belonging to both of the two previously mentioned conformers, in addition to the gauche­ gauche-conformer, which was observed in this frequency regime for the first time. Comparisons between the three conformers of 1-iodobutanc and other iodo- and bromoalkanes are made, specifically throughmore » an analysis of the nuclear quadrupole coupling constants belonging to the iodine and bromine atoms in the respective chemical environments.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belov, Mikhail E.; Anderson, Gordon A.; Smith, Richard D.

Data-dependent selective external ion ejection with improved resolution is demonstrated with a 3.5 tesla FTICR instrument employing DREAMS (Dynamic Range Enhancement Applied to Mass Spectrometry) technology. To correct for the fringing rf-field aberrations each rod of the selection quadrupole has been segmented into three sections, so that ion excitation and ejection was performed by applying auxiliary rf-only waveforms in the region of the middle segments. Two different modes of external ion trapping and ejection were studied with the mixtures of model peptides and a tryptic digest of bovine serum albumin. A mass resolution of about 100 has been attained formore » rf-only dipolar ejection in a quadrupole operating at a Mathieu parameter q of{approx} 0.45. LC-ESI-DREAMS-FTICR analysis of a 0.1 mg/mL solution of bovine serum albumin digest resulted in detection of 82 unique tryptic peptides with mass measurement errors lower than 5 ppm, providing 100% sequence coverage of the protein.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belov, Mikhail E.; Anderson, Gordon A.; Smith, Richard D.

Data-dependent selective external ion ejection with improved resolution is demonstrated with a 3.5 tesla FTICR instrument employing DREAMS (Dynamic Range Enhancement Applied to Mass Spectrometry) technology. To correct for the fringing rf-field aberrations each rod of the selection quadrupole has been segmented into three sections, so that ion excitation and ejection was performed by applying auxiliary rf-only waveforms in the region of the middle segments. Two different modes of external ion trapping and ejection were studied with the mixtures of model peptides and a tryptic digest of bovine serum albumin. A mass resolution of about 100 had been attained formore » rf-only dipolar ejection in a quadrupole operating at a Mathieu parameter q of ~0.45. LC-ESI-DREAMS-FTICR analysis of a 0.1 mg/mL solution of bovine serum albumin digest resulted in detection of 82 unique tryptic peptides with mass measurement errors lower than 5 ppm, providing 100 % sequence coverage of the protein.« less

A Study of 2-Iodobutane by Rotational Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arsenault, Eric A.; Obenchain, Daniel A.; Choi, Yoon Jeong

2016-09-15

The rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) have been measured over the frequency range 5.5-16.5 GHz via jet-pulsed Fourier transform microwave (FTMW) spectroscopy. The complete nuclear quadrupole coupling tensor of iodine, ¬, has been obtained for the gauche (g)-, anti (a)-, and gauche0 (g0)-conformers, as well as the four 13C isotopologues of the gauche species. Rotational constants, centrifugal distortion constants, quadrupole coupling constants, and nuclear spin-rotation constants were determined for each species. Changes in the ¬ of the iodine nucleus, resulting from conformational and isotopic dierences, will be discussed. Isotopic substitution of g-2-iodobutane allowed for a rs structure tomore » be determined for the carbon backbone. Additionally, isotopic substitution, in conjunction with an ab initio structure, allowed for a t of various r0 structural parameters belonging to g-2-iodobutane.« less

Quadrupole mass filter: design and performance for operation in stability zone 3.

PubMed

Syed, Sarfaraz U A H; Hogan, Thomas J; Antony Joseph, Mariya J; Maher, Simon; Taylor, Stephen

2013-10-01

The predicted performance of a quadrupole mass filter (QMF) operating in Mathieu stability zone 3 is described in detail using computer simulations. The investigation considers the factors that limit the ultimate maximum resolution (Rmax) and percentage transmission (%Tx), which can be obtained for a given QMF for a particular scan line of operation. The performance curve (i.e., the resolution (R) versus number (N) of radio frequency (rf) cycles experienced by the ions in the mass filter) has been modeled for the upper and lower tip of stability zone 3. The saturation behavior of the performance curve observed in practice for zone 3 is explained. Furthermore, new design equations are presented by examining the intersection of the scan line with stability zone 3. Resolution versus transmission characteristics of stability zones 1 and 3 are compared and the dependence of performance for zones 1 and 3 is related to particular instrument operating parameters.

Microscopic analysis of octupole shape transitions in neutron-rich actinides with relativistic energy density functional

NASA Astrophysics Data System (ADS)

Xu, Zhong; Li, Zhi-Pan

2017-12-01

Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra, and electric transition rates in eight neutron-rich isotopic chains - Ra, Th, U, Pu, Cm, Cf, Fm, and No - are systematically analyzed using a quadrupole-octupole collective Hamiltonian model, with parameters determined by constrained reflection-asymmetric and axially-symmetric relativistic mean-field calculations based on the PC-PK1 energy density functional. The theoretical results of low-lying negative-parity bands, odd-even staggering, average octupole deformations ⟨β 3⟩, and show evidence of a shape transition from nearly spherical to stable octupole-deformed, and finally octupole-soft equilibrium shapes in the neutron-rich actinides. A microscopic mechanism for the onset of stable octupole deformation is also discussed in terms of the evolution of single-nucleon orbitals with deformation. Supported by National Natural Science Foundation of China (11475140, 11575148)

A study of the conformational isomerism of 1-iodobutane by high resolution rotational spectroscopy

DOE PAGES

Arsenault, Eric A.; Obenchain, Daniel A.; Blake, Thomas A.; ...

2017-05-01

The first microwave study of 1-iodobutane, performed by Steinmetz et al. in 1977, led to the determination of the B+C parameter for the anti-anti- and gauche-anti-conformers. Nearly 40 years later, in this paper this reinvestigation of 1-iodobutane, by high-resolution microwave spectroscopy, led to the determination of rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants (NQCCs), and nuclear-spin rotation constants belonging to both of the two previously mentioned conformers, in addition to the gauche-gauche-conformer, which was observed in this frequency regime for the first time. Finally, comparisons between the three conformers of 1-iodobutane and other iodo- and bromoalkanes are made,more » specifically through an analysis of the nuclear quadrupole coupling constants belonging to the iodine and bromine atoms in the respective chemical environments.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de; Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de

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 chargesmore » 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.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jaski, Mark S.; Liu, Jie; Donnelly, Aric T.

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.

Dissymmetry effects on the laser spectroscopy of supersonically expanded rare gas/chiral arene heteroclusters.

PubMed

Filippi, Antonello; Giardini, Anna; Marcantoni, Enrico; Paladini, Alessandra; Piccirillo, Susanna; Renzi, Gabriele; Rondino, Flaminia; Roselli, Graziella; Satta, Mauro; Speranza, Maurizio

2007-04-14

The R2PI-TOF spectra of supersonically expanded rare gas/chiral arene heteroclusters have been rationalized in terms of the distortion of the pi-electron density reflecting the different dipole and quadrupole momenta induced in the rare gas atoms by interaction with the opposite pi-faces of the chiral arene itself.

Fast rotating neutron stars with realistic nuclear matter equation of state

NASA Astrophysics Data System (ADS)

Cipolletta, F.; Cherubini, C.; Filippi, S.; Rueda, J. A.; Ruffini, R.

2015-07-01

We construct equilibrium configurations of uniformly rotating neutron stars for selected relativistic mean-field nuclear matter equations of state (EOS). We compute, in particular, the gravitational mass (M ), equatorial (Req) and polar (Rpol) radii, eccentricity, angular momentum (J ), moment of inertia (I ) and quadrupole moment (M2) of neutron stars stable against mass shedding and secular axisymmetric instability. By constructing the constant frequency sequence f =716 Hz of the fastest observed pulsar, PSR J1748-2446ad, and constraining it to be within the stability region, we obtain a lower mass bound for the pulsar, Mmin=[1.2 - 1.4 ]M⊙ , for the EOS employed. Moreover, we give a fitting formula relating the baryonic mass (Mb) and gravitational mass of nonrotating neutron stars, Mb/M⊙=M /M⊙+(13 /200 )(M /M⊙)2 [or M /M⊙=Mb/M⊙-(1 /20 )(Mb/M⊙)2], which is independent of the EOS. We also obtain a fitting formula, although not EOS independent, relating the gravitational mass and the angular momentum of neutron stars along the secular axisymmetric instability line for each EOS. We compute the maximum value of the dimensionless angular momentum, a /M ≡c J /(G M2) (or "Kerr parameter"), (a /M )max≈0.7 , found to be also independent of the EOS. We then compare and contrast the quadrupole moment of rotating neutron stars with the one predicted by the Kerr exterior solution for the same values of mass and angular momentum. Finally, we show that, although the mass quadrupole moment of realistic neutron stars never reaches the Kerr value, the latter is closely approached from above at the maximum mass value, as physically expected from the no-hair theorem. In particular, the stiffer the EOS, the closer the mass quadrupole moment approaches the value of the Kerr solution.

Transmission of singularities through a shock wave and the sound generation

NASA Technical Reports Server (NTRS)

Ting, L.

1974-01-01

The interaction of a plane shock wave of finite strength with a vortex line, point vortex, doublet or quadrupole of weak strength is studied. Based upon the physical condition that a free vortex line cannot support a pressure difference, rules are established which define the change of the linear intensity of the segment of the vortex line after its passage through the shock. The rules for point vortex, doublet, and quadrupole are then established as limiting cases. These rules can be useful for the construction of the solution of the entire flow field and for its physical interpretation. However, the solution can be obtained directly by the technique developed for shock diffraction problems. Explicit solutions and the associated sound generation are obtained for the passage of a point vortex through the shock wave.

Multipole induced splitting of metal-cage vibrations in crystalline endohedral D2d-M2@C84 dimetallofullerenes.

PubMed

Krause, M; Popov, V N; Inakuma, M; Tagmatarchis, N; Shinohara, H; Georgi, P; Dunsch, L; Kuzmany, H

2004-01-22

Metal-carbon cage vibrations of crystalline endohedral D2d-M2@C84 (M=Sc,Y,Dy) dimetallofullerenes were analyzed by temperature dependent Raman scattering and a dynamical force field model. Three groups of metal-carbon cage modes were found at energies of 35-200 cm(-1) and assigned to metal-cage stretching and deformation vibrations. They exhibit a textbook example for the splitting of molecular vibrations in a crystal field. Induced dipole-dipole and quadrupole-quadrupole interactions account quantitatively for the observed mode splitting. Based on the metal-cage vibrational structure it is demonstrated that D2d-Y2@C84 dimetallofullerene retains a monoclinic crystal structure up to 550 K and undergoes a transition from a disordered to an ordered orientational state at a temperature of approximately 150 K.

Magnetic analysis of the Nb$$_3$$Sn low-beta quadrupole for the high luminosity LHC

DOE PAGES

Bermudez, Susana Izquierdo; Ambrosio, G.; Chlachidze, G.; ...

2017-01-10

As part of the Large Hadron Collider Luminosity upgrade (HiLumi-LHC) program, the US LARP collaboration and CERN are working together to design and build 150 mm aperture Nb 3Sn quadrupoles for the LHC interaction regions. A first series of 1.5 m long coils were fabricated, assembled and tested in the first short model. This paper presents the magnetic analysis, comparing magnetic field measurements with the expectations and the field quality requirements. The analysis is focused on the geometrical harmonics, iron saturation effect and cold-warm correlation. Three dimensional effects such as the variability of the field harmonics along the magnet axismore » and the contribution of the coil ends are also discussed. Furthemore, we present the influence of the conductor magnetization and the dynamic effects.« less

Energy levels and radiative rates for Ne-like ions from Cu to Ga

NASA Astrophysics Data System (ADS)

Singh, Narendra; Aggarwal, Sunny

2017-11-01

Energy levels, lifetimes and wave function compositions are computed for 127 fine structural levels in Ne-like ions (Z=29{-}31). Configuration interaction has been included among 51 configurations (generating 1016 levels) and multiconfigurational Dirac-Fock method is used to generate the wave functions. Similar calculations have also been performed using the fully relativistic flexible atomic code (FAC). Transition wavelength, oscillator strength, transition probabilities and line strength are reported for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2) transitions from the ground level. We compared our calculated results with the available data in the literature. The calculated results are found to be in close agreement with the previous results. Further, we predict some new atomic data which may be important for plasma diagnostics.

A Vibrating Wire System For Quadrupole Fiducialization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolf, Zachary

2010-12-13

A vibrating wire system is being developed to fiducialize the quadrupoles between undulator segments in the LCLS. This note provides a detailed analysis of the system. The LCLS will have quadrupoles between the undulator segments to keep the electron beam focused. If the quadrupoles are not centered on the beam axis, the beam will receive transverse kicks, causing it to deviate from the undulator axis. Beam based alignment will be used to move the quadrupoles onto a straight line, but an initial, conventional alignment must place the quadrupole centers on a straight line to 100 {micro}m. In the fiducialization stepmore » of the initial alignment, the position of the center of the quadrupole is measured relative to tooling balls on the outside of the quadrupole. The alignment crews then use the tooling balls to place the magnet in the tunnel. The required error on the location of the quadrupole center relative to the tooling balls must be less than 25 {micro}m. In this note, we analyze a system under construction for the quadrupole fiducialization. The system uses the vibrating wire technique to position a wire onto the quadrupole magnetic axis. The wire position is then related to tooling balls using wire position detectors. The tooling balls on the wire position detectors are finally related to tooling balls on the quadrupole to perform the fiducialization. The total 25 {micro}m fiducialization error must be divided between these three steps. The wire must be positioned onto the quadrupole magnetic axis to within 10 {micro}m, the wire position must be measured relative to tooling balls on the wire position detectors to within 15 {micro}m, and tooling balls on the wire position detectors must be related to tooling balls on the quadrupole to within 10 {micro}m. The techniques used in these three steps will be discussed. The note begins by discussing various quadrupole fiducialization techniques used in the past and discusses why the vibrating wire technique is our method of choice. We then give an overview of the measurement system showing how the vibrating wire is positioned onto the quadrupole axis, how the wire position detectors locate the wire relative to tooling balls without touching the wire, and how the tooling ball positions are all measured. The novel feature of this system is the vibrating wire which we discuss in depth. We analyze the wire dynamics and calculate the expected sensitivity of the system. The note should be an aid in debugging the system by providing calculations to compare measurements to.« less

Multipolar Kondo effect in a S10-P32 mixture of 173Yb atoms

NASA Astrophysics Data System (ADS)

Kuzmenko, Igor; Kuzmenko, Tetyana; Avishai, Yshai; Jo, Gyu-Boong

2018-02-01

Whereas in the familiar Kondo effect the exchange interaction is dipolar, there are systems in which the exchange interaction is multipolar, as has been realized in a recent experiment. Here, we study multipolar Kondo effect in a Fermi gas of cold 173Yb atoms. Making use of different ac polarizabilities of the electronic ground state Yb (S10 ) and the long-lived metastable state Yb*(P32 ), it is suggested that the latter atoms can be localized and serve as a dilute concentration of magnetic impurities while the former ones remain itinerant. The exchange mechanism between the itinerant Yb and the localized Yb* atoms is analyzed and shown to be antiferromagnetic. The quadrupole and octupole interactions act to enhance the Kondo temperature TK that is found to be experimentally accessible. The bare exchange Hamiltonian needs to be decomposed into dipole (d), quadrupole (q), and octupole (o) interactions in order to retain its form under renormalization group (RG) analysis, in which the corresponding exchange constants (λd,λq, and λo) flow independently. Numerical solution of the RG scaling equations reveals a few finite fixed points. Arguments are presented that the Fermi-liquid fixed point at low temperature is unstable, indicating that the impurity is overscreened, which suggests a non-Fermi-liquid phase. The impurity contributions to the specific heat, entropy, and the magnetic susceptibility are calculated in the weak coupling regime (T ≫TK ), and are compared with the analogous results obtained for the standard case of dipolar exchange interaction (the s -d Hamiltonian).

Supersonic Quadrupole Noise Theory for High-Speed Helicopter Rotors

NASA Technical Reports Server (NTRS)

Farassat, F.; Brentner, Kenneth S.

1997-01-01

High-speed helicopter rotor impulsive noise prediction is an important problem of aeroacoustics. The deterministic quadrupoles have been shown to contribute significantly to high-speed impulsive (HSI) noise of rotors, particularly when the phenomenon of delocalization occurs. At high rotor-tip speeds, some of the quadrupole sources lie outside the sonic circle and move at supersonic speed. Brentner has given a formulation suitable for efficient prediction of quadrupole noise inside the sonic circle. In this paper, we give a simple formulation based on the acoustic analogy that is valid for both subsonic and supersonic quadrupole noise prediction. Like the formulation of Brentner, the model is exact for an observer in the far field and in the rotor plane and is approximate elsewhere. We give the full analytic derivation of this formulation in the paper. We present the method of implementation on a computer for supersonic quadrupoles using marching cubes for constructing the influence surface (Sigma surface) of an observer space- time variable (x; t). We then present several examples of noise prediction for both subsonic and supersonic quadrupoles. It is shown that in the case of transonic flow over rotor blades, the inclusion of the supersonic quadrupoles improves the prediction of the acoustic pressure signature. We show the equivalence of the new formulation to that of Brentner for subsonic quadrupoles. It is shown that the regions of high quadrupole source strength are primarily produced by the shock surface and the flow over the leading edge of the rotor. The primary role of the supersonic quadrupoles is to increase the width of a strong acoustic signal.

The Assessment of Selectivity in Different Quadrupole-Orbitrap Mass Spectrometry Acquisition Modes

NASA Astrophysics Data System (ADS)

Berendsen, Bjorn J. A.; Wegh, Robin S.; Meijer, Thijs; Nielen, Michel W. F.

2015-02-01

Selectivity of the confirmation of identity in liquid chromatography (tandem) mass spectrometry using Q-Orbitrap instrumentation was assessed using different acquisition modes based on a representative experimental data set constructed from 108 samples, including six different matrix extracts and containing over 100 analytes each. Single stage full scan, all ion fragmentation, and product ion scanning were applied. By generating reconstructed ion chromatograms using unit mass window in targeted MS2, selected reaction monitoring (SRM), regularly applied using triple-quadrupole instruments, was mimicked. This facilitated the comparison of single stage full scan, all ion fragmentation, (mimicked) SRM, and product ion scanning applying a mass window down to 1 ppm. Single factor Analysis of Variance was carried out on the variance (s2) of the mass error to determine which factors and interactions are significant parameters with respect to selectivity. We conclude that selectivity is related to the target compound (mainly the mass defect), the matrix, sample clean-up, concentration, and mass resolution. Selectivity of the different instrumental configurations was quantified by counting the number of interfering peaks observed in the chromatograms. We conclude that precursor ion selection significantly contributes to selectivity: monitoring of a single product ion at high mass accuracy with a 1 Da precursor ion window proved to be equally selective or better to monitoring two transition products in mimicked SRM. In contrast, monitoring a single fragment in all ion fragmentation mode results in significantly lower selectivity versus mimicked SRM. After a thorough inter-laboratory evaluation study, the results of this study can be used for a critical reassessment of the current identification points system and contribute to the next generation of evidence-based and robust performance criteria in residue analysis and sports doping.

Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection.

PubMed

Yang, Wenzhi; Zhang, Jingxian; Yao, Changliang; Qiu, Shi; Chen, Ming; Pan, Huiqin; Shi, Xiaojian; Wu, Wanying; Guo, Dean

2016-09-05

Xueshuantong Injection (XSTI), derived from Notoginseng total saponins, is a popular traditional Chinese medicine injection for the treatment of thrombus-resultant diseases. Current knowledge on its therapeutic basis is limited to five major saponins, whereas those minor ones are rarely investigated. We herein develop an offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis (offline 2D LC/QTOF-Fast DDA) approach to systematically characterize the saponins contained in XSTI. Key parameters affecting chromatographic separation in 2D LC (including stationary phase, mobile phase, column temperature, and gradient elution program) and the detection by QTOF MS (involving spray voltage, cone voltage, and ramp collision energy) were optimized in sequence. The configured offline 2D LC system showed an orthogonality of 0.84 and a theoretical peak capacity of 8976. Total saponins in XSTI were fractionated into eleven samples by the first-dimensional hydrophilic interaction chromatography, which were further analyzed by reversed-phase UHPLC/QTOF-Fast DDA in negative ion mode. The fragmentation features evidenced from 36 saponin reference standards, high-accuracy MS and Fast-DDA-MS(2) data, elemental composition (C<80, H<120, O<50), double-bond equivalent (DBE 5-15), and searching an in-house library of Panax notoginseng, were simultaneously utilized for structural elucidation. Ultimately, 148 saponins were separated and characterized, and 80 have not been isolated from P. notoginseng. An in-depth depiction of the chemical composition of XSTI was achieved. The results obtained would benefit better understanding of the therapeutic basis and significant promotion on the quality standard of XSTI as well as other homologous products. Copyright © 2016. Published by Elsevier B.V.

Mass selectivity of dipolar resonant excitation in a linear quadrupole ion trap.

PubMed

Douglas, D J; Konenkov, N V

2014-03-15

For mass analysis, linear quadrupole ion traps operate with dipolar excitation of ions for either axial or radial ejection. There have been comparatively few computer simulations of this process. We introduce a new concept, the excitation contour, S(q), the fraction of the excited ions that reach the trap electrodes when trapped at q values near that corresponding to the excitation frequency. Ion trajectory calculations are used to calculate S(q). Ions are given Gaussian distributions of initial positions in x and y, and thermal initial velocity distributions. To model gas damping, a drag force is added to the equations of motion. The effects of the initial conditions, ejection Mathieu parameter q, scan speed, excitation voltage and collisional damping, are modeled. We find that, with no buffer gas, the mass resolution is mostly determined by the excitation time and is given by R~dβ/dq qn, where β(q) determines the oscillation frequency, and n is the number of cycles of the trapping radio frequency during the excitation or ejection time. The highest resolution at a given scan speed is reached with the lowest excitation amplitude that gives ejection. The addition of a buffer gas can increase the mass resolution. The simulation results are in broad agreement with experiments. The excitation contour, S(q), introduced here, is a useful tool for studying the ejection process. The excitation strength, excitation time and buffer gas pressure interact in a complex way but, when set properly, a mass resolution R0.5 of at least 10,000 can be obtained at a mass-to-charge ratio of 609. Copyright © 2014 John Wiley & Sons, Ltd.

Evolution of the Carter constant for inspirals into a black hole: Effect of the black hole quadrupole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flanagan, Eanna E.; Laboratory for Elementary Particle Physics, Cornell University, Ithaca, New York 14853; Hinderer, Tanja

2007-06-15

We analyze the effect of gravitational radiation reaction on generic orbits around a body with an axisymmetric mass quadrupole moment Q to linear order in Q, to the leading post-Newtonian order, and to linear order in the mass ratio. This system admits three constants of the motion in absence of radiation reaction: energy, angular momentum along the symmetry axis, and a third constant analogous to the Carter constant. We compute instantaneous and time-averaged rates of change of these three constants. For a point particle orbiting a black hole, Ryan has computed the leading order evolution of the orbit's Carter constant,more » which is linear in the spin. Our result, when combined with an interaction quadratic in the spin (the coupling of the black hole's spin to its own radiation reaction field), gives the next to leading order evolution. The effect of the quadrupole, like that of the linear spin term, is to circularize eccentric orbits and to drive the orbital plane towards antialignment with the symmetry axis. In addition we consider a system of two point masses where one body has a single mass multipole or current multipole of order l. To linear order in the mass ratio, to linear order in the multipole, and to the leading post-Newtonian order, we show that there does not exist an analog of the Carter constant for such a system (except for the cases of an l=1 current moment and an l=2 mass moment). Thus, the existence of the Carter constant in Kerr depends on interaction effects between the different multipoles. With mild additional assumptions, this result falsifies the conjecture that all vacuum, axisymmetric spacetimes possess a third constant of the motion for geodesic motion.« less

The influence of quadrupole sources in the boundary layer and wake of a blade on helicopter rotor noise

NASA Technical Reports Server (NTRS)

Farassat, F.; Brentner, Kenneth S.

1991-01-01

It is presently noted that, for an observer in or near the plane containing a helicopter rotor disk, and in the far field, part of the volume quadrupole sources, and the blade and wake surface quadrupole sources, completely cancel out. This suggests a novel quadrupole source description for the Ffowcs Williams-Hawkings equation which retain quadrupoles with axes parallel to the rotor disk; in this case, the volume and shock surface sourse terms are dominant.

Ab initio correlated calculations of rare-gas dimer quadrupoles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donchev, Alexander G.

2007-10-15

This paper reports ab initio calculations of rare gas (RG=Kr, Ar, Ne, and He) dimer quadrupoles at the second order of Moeller-Plesset perturbation theory (MP2). The study reveals the crucial role of the dispersion contribution to the RG{sub 2} quadrupole in the neighborhood of the equilibrium dimer separation. The magnitude of the dispersion quadrupole is found to be much larger than that predicted by the approximate model of Hunt. As a result, the total MP2 quadrupole moment is significantly smaller than was assumed in virtually all previous related studies. An analytical model for the distance dependence of the RG{sub 2}more » quadrupole is proposed. The model is based on the effective-electron approach of Jansen, but replaces the original Gaussian approximation to the electron density in an RG atom by an exponential one. The role of the nonadditive contribution in RG{sub 3} quadrupoles is discussed.« less

Determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility

NASA Astrophysics Data System (ADS)

Korotey, E. V.; Sinyavskii, N. Ya.

2007-07-01

A new method for determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility is proposed, which is based on the measurement of the quadrupole splitting line of the NMR 2H spectrum. The method provides higher information content of the experiments, with the shear flow discarded from consideration, compared to that obtained by the classical Leslie-Ericksen theory. A comparison with the experiment is performed, the coefficients of anisotropic viscosity of lecithin/D2O/cyclohexane are determined, and a conclusion is drawn as concerns the domain shapes.

Using Perturbative Least Action to Reconstruct Redshift-Space Distortions

NASA Astrophysics Data System (ADS)

Goldberg, David M.

2001-05-01

In this paper, we present a redshift-space reconstruction scheme that is analogous to and extends the perturbative least action (PLA) method described by Goldberg & Spergel. We first show that this scheme is effective in reconstructing even nonlinear observations. We then suggest that by varying the cosmology to minimize the quadrupole moment of a reconstructed density field, it may be possible to lower the error bars on the redshift distortion parameter, β, as well as to break the degeneracy between the linear bias parameter, b, and ΩM. Finally, we discuss how PLA might be applied to realistic redshift surveys.

The quadrupole moments of Cd and Zn isotopes - an apology

NASA Astrophysics Data System (ADS)

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.

The quadrupole model for rigid-body gravity simulations

NASA Astrophysics Data System (ADS)

Dobrovolskis, Anthony R.; Korycansky, D. G.

2013-07-01

We introduce two new models for gravitational simulations of systems of non-spherical bodies, such as comets and asteroids. In both models, one body (the "primary") may be represented by any convenient means, to arbitrary accuracy. In our first model, all of the other bodies are represented by small gravitational "molecules" consisting of a few point masses, rigidly linked together. In our second model, all of the other bodies are treated as point quadrupoles, with gravitational potentials including spherical harmonic terms up to the third degree (rather than only the first degree, as for ideal spheres or point masses). This quadrupole formulation may be regarded as a generalization of MacCullagh's approximation. Both models permit the efficient calculation of the interaction energy, the force, and the torque acting on a small body in an arbitrary external gravitational potential. We test both models for the cases of a triaxial ellipsoid, a rectangular parallelepiped, and "duplex" combinations of two spheres, all in a point-mass potential. These examples were chosen in order to compare the accuracy of our technique with known analytical results, but the ellipsoid and duplex are also useful models for comets and asteroids. We find that both approaches show significant promise for more efficient gravitational simulations of binary asteroids, for example. An appendix also describes the duplex model in detail.

Chiral NNLOsat descriptions of nuclear multipole resonances within the random-phase approximation

NASA Astrophysics Data System (ADS)

Wu, Q.; Hu, B. S.; Xu, F. R.; Ma, Y. Z.; Dai, S. J.; Sun, Z. H.; Jansen, G. R.

2018-05-01

We study nuclear multipole resonances in the framework of the random-phase approximation by using the chiral potential NNLOsat. This potential includes two- and three-body terms that have been simultaneously optimized to low-energy nucleon-nucleon scattering data and selected nuclear structure data. Our main focuses have been the isoscalar monopole, isovector dipole, and isoscalar quadrupole resonances of the closed-shell nuclei, 4He, O 16 ,22 ,24 , and Ca,4840. These resonance modes have been widely observed in experiment. In addition, we use a renormalized chiral potential Vlow-k, based on the N3LO two-body potential by Entem and Machleidt [Phys. Rev. C 68, 041001 (2011), 10.1103/PhysRevC.68.041001]. This introduces a dependency on the cutoff parameter used in the normalization procedure as reported in previous works by other groups. While NNLOsat can reasonably reproduce observed multipole resonances, it is not possible to find a single cutoff parameter for the Vlow-k potential that simultaneously describes the different types of resonance modes. The sensitivity to the cutoff parameter can be explained by missing induced three-body forces in the calculations. Our results for neutron-rich O,2422 show a mixing nature of isoscalar and isovector resonances in the dipole channel at low energies. We predict that 22O and 24O have low-energy isoscalar quadrupole resonances at energies lower than 5 MeV.

Cd-binding to model membranes

NASA Astrophysics Data System (ADS)

Geszner, R.; Saibene, S.; Butz, T.; Lerf, A.

1990-08-01

The binding of Cd2+ to the model membranes Di-myristoyl L-α-phosphatidic acid (DMPA) and Di-myristoyl L-α-phosphatidylcholine (DMPC) was studied by time differential perturbed angular correlation (TDPAC) on111mCd, via its nuclear quadrupole interaction. Whereas Cd2+ does not bind to the neutral DMPC, it binds to charged DMPA up to a 0.8∶1 Cd/lipid ratio.

Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the π-Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds.

PubMed

Giroud, Maude; Harder, Michael; Kuhn, Bernd; Haap, Wolfgang; Trapp, Nils; Schweizer, W Bernd; Schirmeister, Tanja; Diederich, François

2016-05-19

The π-stacking of fluorinated benzene rings on protein backbone amide groups was investigated, using a dual approach comprising enzyme-ligand binding studies complemented by high-level quantum chemical calculations. In the experimental study, the phenyl substituent of triazine nitrile inhibitors of human cathepsin L (hCatL), which stacks onto the peptide amide bond Gly67-Gly68 at the entrance of the S3 pocket, was systematically fluorinated, and differences in inhibitory potency were measured in a fluorimetric assay. Binding affinity is influenced by lipophilicity (clog P), the dipole and quadrupole moments of the fluorinated rings, but also by additional interactions of the introduced fluorine atoms with the local environment of the pocket. Generally, the higher the degree of fluorination, the better the binding affinities. Gas phase calculations strongly support the contributions of the molecular quadrupole moments of the fluorinated phenyl rings to the π-stacking interaction with the peptide bond. These findings provide useful guidelines for enhancing π-stacking on protein amide fragments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

NASA Astrophysics Data System (ADS)

Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

2017-01-01

Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

Hydrophilic interaction ultra-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry for highly rapid and sensitive analysis of underivatized amino acids in functional foods.

PubMed

Zhou, Guisheng; Pang, Hanqing; Tang, Yuping; Yao, Xin; Mo, Xuan; Zhu, Shaoqing; Guo, Sheng; Qian, Dawei; Qian, Yefei; Su, Shulan; Zhang, Li; Jin, Chun; Qin, Yong; Duan, Jin-ao

2013-05-01

This work presented a new analytical methodology based on hydrophilic interaction ultra-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry in multiple-reaction monitoring mode for analysis of 24 underivatized free amino acids (FAAs) in functional foods. The proposed method was first reported and validated by assessing the matrix effects, linearity, limit of detections and limit of quantifications, precision, repeatability, stability and recovery of all target compounds, and it was used to determine the nutritional substances of FAAs in ginkgo seeds and further elucidate the nutritional value of this functional food. The result showed that ginkgo seed turned out to be a good source of FAAs with high levels of several essential FAAs and to have a good nutritional value. Furthermore, the principal component analysis was performed to classify the ginkgo seed samples on the basis of 24 FAAs. As a result, the samples could be mainly clustered into three groups, which were similar to areas classification. Overall, the presented method would be useful for the investigation of amino acids in edible plants and agricultural products.

Comparison of conventional and novel quadrupole drift tube magnets inspired by Klaus Halbach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feinberg, B.

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.

Quantum phases of quadrupolar Fermi gases in coupled one-dimensional systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Lahrz, M.; Mathey, L.

2014-01-01

Following the recent proposal to create quadrupolar gases [Bhongale et al., Phys. Rev. Lett. 110, 155301 (2013), 10.1103/PhysRevLett.110.155301], we investigate what quantum phases can be created in these systems in one dimension. We consider a geometry of two coupled one-dimensional (1D) systems, and derive the quantum phase diagram of ultracold fermionic atoms interacting via quadrupole-quadrupole interactions within a Tomonaga-Luttinger-liquid framework. We map out the phase diagram as a function of the distance between the two tubes and the angle between the direction of the tubes and the quadrupolar moments. The latter can be controlled by an external field. We show that there are two magic angles θB,1c and θB,2c between 0 and π /2, where the intratube quadrupolar interactions vanish and change signs. Adopting a pseudospin language with regard to the two 1D systems, the system undergoes a spin-gap transition and displays a zigzag density pattern, above θB,2c and below θB,1c. Between the two magic angles, we show that polarized triplet superfluidity and a planar spin-density-wave order compete with each other. The latter corresponds to a bond-order solid in higher dimensions. We demonstrate that this order can be further stabilized by applying a commensurate periodic potential along the tubes.

Excitation of transverse dipole and quadrupole modes in a pure ion plasma in a linear Paul trap to study collective processes in intense beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilson, Erik P.; Davidson, Ronald C.; Efthimion, Philip C.

Transverse dipole and quadrupole modes have been excited in a one-component cesium ion plasma trapped in the Paul Trap Simulator Experiment (PTSX) in order to characterize their properties and understand the effect of their excitation on equivalent long-distance beam propagation. The PTSX device is a compact laboratory Paul trap that simulates the transverse dynamics of a long, intense charge bunch propagating through an alternating-gradient transport system by putting the physicist in the beam's frame of reference. A pair of arbitrary function generators was used to apply trapping voltage waveform perturbations with a range of frequencies and, by changing which electrodesmore » were driven with the perturbation, with either a dipole or quadrupole spatial structure. The results presented in this paper explore the dependence of the perturbation voltage's effect on the perturbation duration and amplitude. Perturbations were also applied that simulate the effect of random lattice errors that exist in an accelerator with quadrupole magnets that are misaligned or have variance in their field strength. The experimental results quantify the growth in the equivalent transverse beam emittance that occurs due to the applied noise and demonstrate that the random lattice errors interact with the trapped plasma through the plasma's internal collective modes. Coherent periodic perturbations were applied to simulate the effects of magnet errors in circular machines such as storage rings. The trapped one component plasma is strongly affected when the perturbation frequency is commensurate with a plasma mode frequency. The experimental results, which help to understand the physics of quiescent intense beam propagation over large distances, are compared with analytic models.« less

Large-scale shell-model calculations for 32-39P isotopes

NASA Astrophysics Data System (ADS)

Srivastava, P. C.; Hirsch, J. G.; Ermamatov, M. J.; Kota, V. K. B.

2012-10-01

In this work, the structure of 32-39P isotopes is described in the framework of stateof-the-art large-scale shell-model calculations, employing the code ANTOINE with three modern effective interactions: SDPF-U, SDPF-NR and the extended pairing plus quadrupole-quadrupoletype forces with inclusion of monopole interaction (EPQQM). Protons are restricted to fill the sd shell, while neutrons are active in the sd - pf valence space. Results for positive and negative level energies and electromagnetic observables are compared with the available experimental data.

Transition probabilities in neutron-rich Se,8684

NASA Astrophysics Data System (ADS)

Litzinger, J.; Blazhev, A.; Dewald, A.; Didierjean, F.; Duchêne, G.; Fransen, C.; Lozeva, R.; Sieja, K.; Verney, D.; de Angelis, G.; Bazzacco, D.; Birkenbach, B.; Bottoni, S.; Bracco, A.; Braunroth, T.; Cederwall, B.; Corradi, L.; Crespi, F. C. L.; Désesquelles, P.; Eberth, J.; Ellinger, E.; Farnea, E.; Fioretto, E.; Gernhäuser, R.; Goasduff, A.; Görgen, A.; Gottardo, A.; Grebosz, J.; Hackstein, M.; Hess, H.; Ibrahim, F.; Jolie, J.; Jungclaus, A.; Kolos, K.; Korten, W.; Leoni, S.; Lunardi, S.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Mijatovic, T.; Million, B.; Möller, O.; Modamio, V.; Montagnoli, G.; Montanari, D.; Morales, A. I.; Napoli, D. R.; Niikura, M.; Pollarolo, G.; Pullia, A.; Quintana, B.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Scarlassara, F.; Söderström, P.-A.; Stefanini, A. M.; Stezowski, O.; Szilner, S.; Theisen, Ch.; Valiente Dobón, J. J.; Vandone, V.; Vogt, A.

2015-12-01

Reduced quadrupole transition probabilities for low-lying transitions in neutron-rich Se,8684 are investigated with a recoil distance Doppler shift (RDDS) experiment. The experiment was performed at the Istituto Nazionale di Fisica Nucleare (INFN) Laboratori Nazionali di Legnaro using the Cologne Plunger device for the RDDS technique and the AGATA Demonstrator array for the γ -ray detection coupled to the PRISMA magnetic spectrometer for an event-by-event particle identification. In 86Se the level lifetime of the yrast 21+ state and an upper limit for the lifetime of the 41+ state are determined for the first time. The results of 86Se are in agreement with previously reported predictions of large-scale shell-model calculations using Ni78-I and Ni78-II effective interactions. In addition, intrinsic shape parameters of lowest yrast states in 86Se are calculated. In semimagic 84Se level lifetimes of the yrast 41+ and 61+ states are determined for the first time. Large-scale shell-model calculations using effective interactions Ni78-II, JUN45, jj4b, and jj4pna are performed. The calculations describe B (E 2 ;21+→01+) and B (E 2 ;61+→41+) fairly well and point out problems in reproducing the experimental B (E 2 ;41+→21+) .

Shape evolution with angular momentum in Lu isotopes

NASA Astrophysics Data System (ADS)

Kardan, Azam; Sayyah, Sepideh

2016-06-01

The nuclear potential energies of Lu isotopes with neutron number N = 90 - 98 up to high spins are computed within the framework of the unpaired cranked Nilsson-Strutinsky method. The potential and the macroscopic Lublin-Strasbourg drop (LSD) energy-surface diagrams are analyzed in terms of quadrupole deformation and triaxiality parameter. The shape evolution of these isotopes with respect to angular momentum, as well as the neutron number is studied.

Hexadecapolar Colloids

DOE PAGES

Senyuk, Bohdan; Puls, Owen; Tovkach, Oleh M.; ...

2016-02-11

Outermost occupied electron shells of chemical elements can have symmetries resembling that of monopoles, dipoles, quadrupoles and octupoles corresponding to filled s-, p-, d- and forbitals. Theoretically, elements with hexadecapolar outer shells could also exist, but none of the known elements have filled g-orbitals. On the other hand, the research paradigm of ‘colloidal atoms’ displays complexity of particle behaviour exceeding that of atomic counterparts, which is driven by DNA functionalization, geometric shape and topology and weak external stimuli. We describe elastic hexadecapoles formed by polymer microspheres dispersed in a liquid crystal, a nematic fluid of orientationally ordered molecular rods. Becausemore » of conically degenerate boundary conditions, the solid microspheres locally perturb the alignment of the nematic host, inducing hexadecapolar distortions that drive anisotropic colloidal interactions. We uncover physical underpinnings of formation of colloidal elastic hexadecapoles and report the ensuing bonding inaccessible to elastic dipoles, quadrupoles and other nematic colloids studied previously.« less

Higher-order dielectrophoretic effects: levitation at a field null.

PubMed

Washizu, M; Jones, T B; Kaler, K V

1993-08-20

Experiments with certain new micro-electrode structures used to achieve passive dielectrophoretic levitation of small particles and biological cells reveal a pronounced size-dependent effect not anticipated by the conventional dipole-based model. The conventional theory fails to predict this size effect because it neglects higher-order moments such as the quadrupole, hexapole, and octupole. These higher-order moments are in fact responsible for the levitation force achieved by azimuthally periodic electrode structures because, in such geometries, the electric field is zero along the axis so that the induced dipole moment must be zero. For example, the planar quadrupole levitates particles passively along the central axis through the interaction of its field with the induced quadrupolar moment of the particle. The size effect reported with this structure is readily explained in terms of this quadrupolar component of the ponderomotive force exerted on the particle.

Formation of a Fluorous/Organic Biphasic Supramolecular Octopus Assembly for Enhanced Porphyrin Phosphorescence in Air

DOE PAGES

Yang, Chi; Arvapally, Ravi K.; Tekarli, Sammer M.; ...

2015-03-03

The trinuclear triangle-shaped system [tris{3,5-bis(heptafluoropropyl)-1,2,4-triazolatosilver(I)}] (1) and the multi-armed square-shaped metalloporphyrin PtOEP or the free porphyrin base H2OEP serve as excellent octopus hosts (OEP=2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine). Coupling of the fluorous/organic molecular octopi 1 and H2OEP or PtOEP by strong quadrupole-quadrupole and metal- interactions affords the supramolecular assemblies [1PtOEP] or [1H(2)OEP] (2a), which feature nanoscopic cavities surrounding the upper triangular and lower square cores. The fluorous/organic biphasic configuration of [1PtOEP] leads to an increase in the phosphorescence of PtOEP under ambient conditions. Guest molecules can be included in the biphasic double-octopus assembly in three different site-selective modes.

Benchmarking Atomic Data for Astrophysics: Be-like Ions between B II and Ne VII

NASA Astrophysics Data System (ADS)

Wang, Kai; Chen, Zhan Bin; Zhang, Chun Yu; Si, Ran; Jönsson, Per; Hartman, Henrik; Gu, Ming Feng; Chen, Chong Yang; Yan, Jun

2018-02-01

Large-scale self-consistent multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction calculations are reported for the n≤slant 6 levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies; lifetimes; wavelengths; electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths; transition rates; and oscillator strengths for these levels is provided for each ion. Comparisons are made with available experimental and theoretical results. The uncertainty of excitation energies is assessed to be 0.01% on average, which makes it possible to find and rule out misidentifications and aid new line identifications involving high-lying levels in astrophysical spectra. The complete data set is also useful for modeling and diagnosing astrophysical plasmas.

Measuring the Magnetic Center Behavior of an ILC Superconducting Quadrupole Prototype

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spencer, Cherrill M.; Adolphsen, Chris; Berndt, Martin

2011-02-07

The main linacs of the proposed International Linear Collider (ILC) consist of superconducting cavities operated at 2K. The accelerating cavities are contained in a contiguous series of cryogenic modules that also house the main linac quadrupoles, thus the quadrupoles also need to be superconducting. In an early ILC design, these magnets are about 0.6 m long, have cos (2{theta}) coils, and operate at constant field gradients up to 60 T/m. In order to preserve the small beam emittances in the ILC linacs, the e+ and e- beams need to traverse the quadrupoles near their magnetic centers. A quadrupole shunting techniquemore » is used to measure the quadrupole alignment with the beams; this process requires the magnetic centers move by no more than about 5 micrometers when their strength is changed. To determine if such tight stability is achievable in a superconducting quadrupole, we at SLAC measured the magnetic center motions in a prototype ILC quadrupole built at CIEMAT in Spain. A rotating coil technique was used with a better than 0.1 micrometer precision in the relative field center position, and less than a 2 micrometer systematic error over 30 minutes. This paper describes the warm-bore cryomodule that houses the quadrupole in its Helium vessel, the magnetic center measurement system, the measured center data and strength and harmonics magnetic data.« less

Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2014-12-09

We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Brennen, Reid A. (Inventor); Hecht, Michael (Inventor); Wiberg, Dean (Inventor); Orient, Otto (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Fuerstenau, Stephen D. (Inventor); Yee, Karl Y. (Inventor); Chutjian, Ara (Inventor); Orient, Otto J. (Inventor); Rice, John T. (Inventor)

2002-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Rice, John T. (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Yee, Karl Y. (Inventor)

2000-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Yee, Karl Y. (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Rice, John T. (Inventor); Chutjian, Ara (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Hecht, Michael (Inventor); Wiberg, Dean (Inventor); Orient, Otto (Inventor); Brennen, Reid A. (Inventor); Chutjian, Ara (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and aligrnent for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Orient, Otto (Inventor); Wiberg, Dean (Inventor); Brennen, Reid A. (Inventor); Hecht, Michael (Inventor); Chutjian, Ara (Inventor)

2000-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Transverse-rapidity yt dependence of the nonjet azimuth quadrupole from 62- and 200-GeV Au-Au collisions

NASA Astrophysics Data System (ADS)

Kettler, David T.; Prindle, Duncan J.; Trainor, Thomas A.

2015-06-01

Previous measurements of a quadrupole component of azimuth correlations denoted by symbol v2 have been interpreted to represent elliptic flow, a hydrodynamic phenomenon conjectured to play a major role in noncentral nucleus-nucleus collisions. v2 measurements provide the main support for conclusions that a "perfect liquid" is formed in heavy-ion collisions at the Relativistic Heavy Ion Collider. However, conventional v2 methods based on one-dimensional (1D) azimuth correlations give inconsistent results and may include a jet contribution. In some cases the data trends appear to be inconsistent with hydrodynamic interpretations. In this study we distinguish several components of 2D angular correlations and isolate a nonjet (NJ) azimuth quadrupole denoted by v2{2D} . We establish systematic variations of the NJ quadrupole on yt, centrality, and collision energy. We adopt transverse-rapidity yt as both a velocity measure and a logarithmic alternative to transverse momentum pt. Based on NJ-quadrupole trends, we derive a completely factorized universal parametrization of quantity v2{2D} (yt,b ,√{sN N}) which describes the centrality, yt, and energy dependence. From yt-differential v2(yt) data we isolate a quadrupole spectrum and infer a quadrupole source boost having unexpected properties. NJ quadrupole v2 trends obtained with 2D model fits are remarkably simple. The centrality trend appears to be uncorrelated with a sharp transition in jet-related structure that may indicate rapid change of Au-Au medium properties. The lack of correspondence suggests that the NJ quadrupole may be insensitive to such a medium. Several quadrupole trends have interesting implications for hydro interpretations.

Nuclear Quadrupole Moments and Nuclear Shell Structure

DOE R&D Accomplishments Database

Townes, C. H.; Foley, H. M.; Low, W.

1950-06-23

Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

Fan-beam intensity modulated proton therapy.

PubMed

Hill, Patrick; Westerly, David; Mackie, Thomas

2013-11-01

This paper presents a concept for a proton therapy system capable of delivering intensity modulated proton therapy using a fan beam of protons. This system would allow present and future gantry-based facilities to deliver state-of-the-art proton therapy with the greater normal tissue sparing made possible by intensity modulation techniques. A method for producing a divergent fan beam of protons using a pair of electromagnetic quadrupoles is described and particle transport through the quadrupole doublet is simulated using a commercially available software package. To manipulate the fan beam of protons, a modulation device is developed. This modulator inserts or retracts acrylic leaves of varying thickness from subsections of the fan beam. Each subsection, or beam channel, creates what effectively becomes a beam spot within the fan area. Each channel is able to provide 0-255 mm of range shift for its associated beam spot, or stop the beam and act as an intensity modulator. Results of particle transport simulations through the quadrupole system are incorporated into the MCNPX Monte Carlo transport code along with a model of the range and intensity modulation device. Several design parameters were investigated and optimized, culminating in the ability to create topotherapy treatment plans using distal-edge tracking on both phantom and patient datasets. Beam transport calculations show that a pair of electromagnetic quadrupoles can be used to create a divergent fan beam of 200 MeV protons over a distance of 2.1 m. The quadrupole lengths were 30 and 48 cm, respectively, with transverse field gradients less than 20 T/m, which is within the range of water-cooled magnets for the quadrupole radii used. MCNPX simulations of topotherapy treatment plans suggest that, when using the distal edge tracking delivery method, many delivery angles are more important than insisting on narrow beam channel widths in order to obtain conformal target coverage. Overall, the sharp distal falloff of a proton depth-dose distribution was found to provide sufficient control over the dose distribution to meet objectives, even with coarse lateral resolution and channel widths as large as 2 cm. Treatment plans on both phantom and patient data show that dose conformity suffers when treatments are delivered from less than approximately ten angles. Treatment time for a sample prostate delivery is estimated to be on the order of 10 min, and neutron production is estimated to be comparable to that found for existing collimated systems. Fan beam proton therapy is a method of delivering intensity modulated proton therapy which may be employed as an alternative to magnetic scanning systems. A fan beam of protons can be created by a set of quadrupole magnets and modified by a dual-purpose range and intensity modulator. This can be used to deliver inversely planned treatments, with spot intensities optimized to meet user defined dose objectives. Additionally, the ability of a fan beam delivery system to effectively treat multiple beam spots simultaneously may provide advantages as compared to spot scanning deliveries.

Coulomb-like elastic interaction induced by symmetry breaking in nematic liquid crystal colloids.

PubMed

Lee, Beom-Kyu; Kim, Sung-Jo; Kim, Jong-Hyun; Lev, Bohdan

2017-11-21

It is generally thought that colloidal particles in a nematic liquid crystal do not generate the first multipole term called deformation elastic charge as it violates the mechanical equilibrium. Here, we demonstrate theoretically and experimentally that this is not the case, and deformation elastic charges, as well as dipoles and quadrupoles, can be induced through anisotropic boundary conditions. We report the first direct observation of Coulomb-like elastic interactions between colloidal particles in a nematic liquid crystal. The behaviour of two spherical colloidal particles with asymmetric anchoring conditions induced by asymmetric alignment is investigated experimentally; the interaction of two particles located at the boundary of twist and parallel aligned regions is observed. We demonstrate that such particles produce deformation elastic charges and interact by Coulomb-like interactions.

Means and method for the focusing and acceleration of parallel beams of charged particles

DOEpatents

Maschke, Alfred W.

1983-07-05

A novel apparatus and method for focussing beams of charged particles comprising planar arrays of electrostatic quadrupoles. The quadrupole arrays may comprise electrodes which are shared by two or more quadrupoles. Such quadrupole arrays are particularly adapted to providing strong focussing forces for high current, high brightness, beams of charged particles, said beams further comprising a plurality of parallel beams, or beamlets, each such beamlet being focussed by one quadrupole of the array. Such arrays may be incorporated in various devices wherein beams of charged particles are accelerated or transported, such as linear accelerators, klystron tubes, beam transport lines, etc.

Noise reduction in negative-ion quadrupole mass spectrometry

DOEpatents

Chastagner, P.

1993-04-20

A quadrupole mass spectrometer (QMS) system is described having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

Noise reduction in negative-ion quadrupole mass spectrometry

DOEpatents

Chastagner, Philippe

1993-01-01

A quadrupole mass spectrometer (QMS) system having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

Determination of the electric field gradient in RbCaF3 near the phase transition

NASA Astrophysics Data System (ADS)

Hepp, M. A.; Man, P. P.; Trokiner, A.; Zanni, H.; Fraissard, J.

1992-12-01

The fluoroperovskite, RbCaF 3 undergoes a phase transition at 195.5K from a cubic to a tetragonal phase. The order parameter for this transition is directly related to the electric field gradient which arises in the tetragonal phase. In this work, we have used three NMR methods to measure the electric field gradient at the 87Rb site in a single crystal of RbCaF 3, very near this transition. These experiments are based on recent theoretical developments which allow the measurement of quadrupole parameters even for nuclei in a weak electric field gradient.

Measurement of the transverse four-dimensional beam rms-emittance of an intense uranium beam at 11.4 MeV/u

NASA Astrophysics Data System (ADS)

Xiao, C.; Groening, L.; Gerhard, P.; Maier, M.; Mickat, S.; Vormann, H.

2016-06-01

Knowledge of the transverse four-dimensional beam rms-parameters is essential for applications that involve lattice elements that couple the two transverse degrees of freedom (planes). Usually pepper-pots are used for measuring these beam parameters. However, for ions their application is limited to energies below 150 keV/u. This contribution is on measurements of the full transverse four-dimensional second-moments beam matrix of high intensity uranium ions at an energy of 11.4 MeV/u. The combination of skew quadrupoles with a slit/grid emittance measurement device has been successfully applied.

Methane spectral line widths and shifts, and dependences on physical parameters

NASA Technical Reports Server (NTRS)

Fox, K.; Quillen, D. T.; Jennings, D. E.; Wagner, J.; Plymate, C.

1991-01-01

A detailed report of the recent high-resolution spectroscopic research on widths and shifts measured for a strong infrared-active fundamental of methane is presented. They were measured in collision with several rare gases and diatomic molecules, in the vibrational-rotational fundamental near 3000/cm. These measurements were made at an ambient temperature of 294 K over a range of pressures from 100 to 700 torr. The measurements are discussed in a preliminary but detailed and quantitative manner with reference to masses, polarizabilities, and quadrupole moments. Some functional dependences on these physical parameters are considered. The present data are useful for studies of corresponding planetary spectra.

A study of GeV proton microprobe lens system designs with normal magnetic quadrupole

NASA Astrophysics Data System (ADS)

Dou, Yanxin; Jamieson, David N.; Liu, Jianli; Li, Liyi

2017-12-01

High energy proton irradiation has many applications to the study of radiation effects in semiconductor devices, biological tissues, proton tomography and space science. Many applications could be extended and enhanced by use of a high energy proton microprobe. However the design of a GeV proton microprobe must address significant challenges including beam collimation that minimizes ion scattering and the probe forming lens system for ions of high rigidity. Here we address the probe forming lens system design subject to several practical constraints including the use of non-superconducting normal magnetic quadrupole lenses, the ability to focus 1-5 GeV protons into 5 μm diameter microprobes and compatibility with the beam parameters of GeV proton accelerators. We show that 2, 3 and 4 lens systems of lenses with effective lengths up to 0.63 m can be employed for this purpose with a demagnification up to 58 and investigate the probe size limitations from beam brightness, lens aberrations and machining precision.

Omega from the anisotropy of the redshift correlation function

NASA Technical Reports Server (NTRS)

Hamilton, A. J. S.

1993-01-01

Peculiar velocities distort the correlation function of galaxies observed in redshift space. In the large scale, linear regime, the distortion takes a characteristic quadrupole plus hexadecapole form, with the amplitude of the distortion depending on the cosmological density parameter omega. Preliminary measurements are reported here of the harmonics of the correlation function in the CfA, SSRS, and IRAS 2 Jansky redshift surveys. The observed behavior of the harmonics agrees qualitatively with the predictions of linear theory on large scales in every survey. However, real anisotropy in the galaxy distribution induces large fluctuations in samples which do not yet probe a sufficiently fair volume of the Universe. In the CfA 14.5 sample in particular, the Great Wall induces a large negative quadrupole, which taken at face value implies an unrealistically large omega 20. The IRAS 2 Jy survey, which covers a substantially larger volume than the optical surveys and is less affected by fingers-of-god, yields a more reliable and believable value, omega = 0.5 sup +.5 sub -.25.

High Excitation Rydberg Levels of Fe I from the ATMOS Solar Spectrum at 2.5 and 7 microns

NASA Technical Reports Server (NTRS)

Schoenfeld, W. G.; Chang, E. S.; Geller, M.; Johansson, S.; Nave, G.; Sauval, A. J.; Grevesse, N.

1995-01-01

The quadrupole-polarization theory has been applied to the 3d(sup 6)4S(D-6)4f and 5g subconfigurations of Fe I by a parametric fit, and the fitted parameters are used to predict levels in the 6g and 6h subconfigurations. Using the predicted values, we have computed the 4f-6g and 5g-6h transition arrays and made identifications in the ATMOS infrared solar spectrum. The newly identified 6g and 6h levels, based on ATMOS wavenumbers, are combined with the 5g levels and found to agree with the theoretical values with a root mean-squared-deviation of 0.042/ cm. Our approach yields a polarizability of 28.07 a(sub o, sup 2) and a quadrupole moment of 0.4360 +/- 0.0010 ea(sup 2, sub o) for Fe II, as well as an improved ionization potential of 63737.700 +/- 0.010/ cm for Fe I.

Particle beam injector system and method

DOEpatents

Guethlein, Gary

2013-06-18

Methods and devices enable coupling of a charged particle beam to a radio frequency quadrupole accelerator. Coupling of the charged particle beam is accomplished, at least in-part, by relying on of sensitivity of the input phase space acceptance of the radio frequency quadrupole to the angle of the input charged particle beam. A first electric field across a beam deflector deflects the particle beam at an angle that is beyond the acceptance angle of the radio frequency quadrupole. By momentarily reversing or reducing the established electric field, a narrow portion of the charged particle beam is deflected at an angle within the acceptance angle of the radio frequency quadrupole. In another configuration, beam is directed at an angle within the acceptance angle of the radio frequency quadrupole by the first electric field and is deflected beyond the acceptance angle of the radio frequency quadrupole due to the second electric field.

Parameterization of deformed nuclei for Glauber modeling in relativistic heavy ion collisions

DOE PAGES

Sorensen, P.; Tang, A. H.; Videbaek, F.; ...

2015-08-04

In this study, the density distributions of large nuclei are typically modeled with a Woods–Saxon distribution characterized by a radius R 0 and skin depth a. Deformation parameters β are then introduced to describe non-spherical nuclei using an expansion in spherical harmonics R 0(1+β 2Y 2 0+β 4Y 4 0). But when a nucleus is non-spherical, the R 0 and a inferred from electron scattering experiments that integrate over all nuclear orientations cannot be used directly as the parameters in the Woods–Saxon distribution. In addition, the β 2 values typically derived from the reduced electric quadrupole transition probability B(E2)↑ aremore » not directly related to the β 2 values used in the spherical harmonic expansion. B(E2)↑ is more accurately related to the intrinsic quadrupole moment Q 0 than to β 2. One can however calculate Q 0 for a given β 2 and then derive B(E2)↑ from Q 0. In this paper we calculate and tabulate the R 0, a , and β 2 values that when used in a Woods–Saxon distribution, will give results consistent with electron scattering data. We then present calculations of the second and third harmonic participant eccentricity (ε 2 and ε 3) with the new and old parameters. We demonstrate that ε 3 is particularly sensitive to a and argue that using the incorrect value of a has important implications for the extraction of viscosity to entropy ratio (η/s) from the QGP created in Heavy Ion collisions.« less

Atmospheric pressure solid analysis probe coupled to quadrupole-time of flight mass spectrometry as a tool for screening and semi-quantitative approach of polycyclic aromatic hydrocarbons, nitro-polycyclic aromatic hydrocarbons and oxo-polycyclic aromatic hydrocarbons in complex matrices.

PubMed

Carrizo, Daniel; Domeño, Celia; Nerín, Isabel; Alfaro, Pilar; Nerín, Cristina

2015-01-01

A new screening and semi-quantitative approach has been developed for direct analysis of polycyclic aromatic hydrocarbons (PAHs) and their nitro and oxo derivatives in environmental and biological matrices using atmospheric pressure solid analysis probe (ASAP) quadrupole-time of flight mass spectrometry (Q-TOF-MS). The instrumental parameters were optimized for the analysis of all these compounds, without previous sample treatment, in soil, motor oil, atmospheric particles (ashes) and biological samples such as urine and saliva of smokers and non-smokers. Ion source parameters in the MS were found to be the key parameters, with little variation within PAHs families. The optimized corona current was 4 µA, sample cone voltage 80 V for PAHs, nitro-PAHs and oxo-PAHs, while the desolvation temperatures varied from 300°C to 500°C. The analytical method performance was checked using a certified reference material. Two deuterated compounds were used as internal standards for semi-quantitative purposes together with the pure individual standard for each compound and the corresponding calibration plot. The compounds nitro PAH 9-nitroanthracene and oxo-PAH 1,4-naphthalenedione, were found in saliva and urine in a range below 1 µg/g while the range of PAHs in these samples was below 2 µg/g. Environmental samples provided higher concentration of all pollutants than urine and saliva. Copyright © 2014 Elsevier B.V. All rights reserved.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-03-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-06-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, Alfred W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, A.W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

A modified quadrupole mass spectrometer with custom RF link rods driver for remote operation

NASA Technical Reports Server (NTRS)

Tashbar, P. W.; Nisen, D. B.; Moore, W. W., Jr.

1973-01-01

A commercial quadrupole residual gas analyzer system has been upgraded for operation at extended cable lengths. Operation inside a vacuum chamber for the standard quadrupole nude head is limited to approximately 2 m from its externally located rf/dc generator because of the detuning of the rf oscillator circuits by the coaxial cable reactance. The advance of long distance remote operation inside a vacuum chamber for distances of 45 and 60 m was made possible without altering the quadrupole's rf/dc generator circuit by employing an rf link to drive the quadrupole rods. Applications of the system have been accomplished for in situ space simulation thermal/vacuum testing of sophisticated payloads.

Relativistic many-body bound systems: electromagnetic properties. Monograph report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Danos, M.; Gillet, V.

1977-04-01

The formulae for the calculation of the electron scattering form factors, and of the static magnetic dipole and electric quadrupole moments, of relativistic many-body bound systems are derived. The framework, given in NBS Monograph 147, is relativistic quantum field theory in the Schrodinger picture; the physical particles, i.e., the solutions of the interacting fields, are given as linear combinations of the solutions of the free fields, called the parton fields. The parton--photon interaction is taken as given by minimal coupling. In addition, the contribution of the photon--vector meson vertex of the vector dominance model is derived.

HZEFRG1: An energy-dependent semiempirical nuclear fragmentation model

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Tripathi, Ram K.; Norbury, John W.; Badavi, Francis F.; Khan, Ferdous

1993-01-01

Methods for calculating cross sections for the breakup of high-energy heavy ions by the combined nuclear and coulomb fields of the interacting nuclei are presented. The nuclear breakup contributions are estimated with an abrasion-ablation model of heavy ion fragmentation that includes an energy-dependent, mean free path. The electromagnetic dissociation contributions arising from the interacting coulomb fields are estimated by using Weizsacker-Williams theory extended to include electric dipole and electric quadrupole contributions. The complete computer code that implements the model is included as an appendix. Extensive comparisons of cross section predictions with available experimental data are made.

Polarization of the Sunyaev-Zel'dovich effect: relativistic imprint of thermal and non-thermal plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emritte, Mohammad Shehzad; Colafrancesco, Sergio; Marchegiani, Paolo, E-mail: Sergio.Colafrancesco@wits.ac.za, E-mail: emrittes@yahoo.com, E-mail: Paolo.Marchegiani@wits.ac.za

2016-07-01

Inverse Compton (IC) scattering of the anisotropic CMB fluctuations off cosmic electron plasmas generates a polarization of the associated Sunyaev-Zel'dovich (SZ) effect. The polarized SZ effect has important applications in cosmology and in astrophysics of galaxy clusters. However, this signal has been studied so far mostly in the non-relativistic regime which is valid only in the very low electron temperature limit for a thermal electron population and, as such, has limited astrophysical applications. Partial attempts to extend this calculation to the IC scattering of a thermal electron plasma in the relativistic regime have been done but these cannot be appliedmore » to a more general or mildly relativistic electron distribution. In this paper we derive a general form of the SZ effect polarization that is valid in the full relativistic approach for both thermal and non-thermal electron plasmas, as well as for a generic combination of various electron population which can be co-spatially distributed in the environments of galaxy clusters or radiogalaxy lobes. We derive the spectral shape of the Stokes parameters induced by the IC scattering of every CMB multipole for both thermal and non-thermal electron populations, focussing in particular on the CMB quadrupole and octupole that provide the largest detectable signals in cosmic structures (like galaxy clusters). We found that the CMB quadrupole induced Stoke parameter Q is always positive with a maximum amplitude at a frequency ≈ 216 GHz which increases non-linearly with increasing cluster temperature. On the contrary, the CMB octupole induced Q spectrum shows a cross-over frequency which depends on the cluster electron temperature in a linear way, while it shows a non-linear dependence on the minimum momentum p {sub 1} of a non-thermal power-law spectrum as well as a linear dependence on the power-law spectral index of the non-thermal electron population. We discuss some of the possibilities to disentangle the quadrupole-induced Q spectrum from the octupole-induced one which will allow to measure these important cosmological quantities through the SZ effect polarization at different cluster locations in the universe. We finally apply our model to the Bullet cluster and derive the visibility windows of the total, quandrupole-induced and octupole-induced Stoke parameter Q in the frequency ranges accessible to SKA, ALMA, MILLIMETRON and CORE++ experiments.« less

More Sophisticated Fits of the Oribts of Haumea's Interacting Moons

NASA Astrophysics Data System (ADS)

Oldroyd, William Jared; Ragozzine, Darin; Porter, Simon

2018-04-01

Since the discovery of Haumea's moons, it has been a challenge to model the orbits of its moons, Hi’iaka and Namaka. With many precision HST observations, Ragozzine & Brown 2009 succeeded in calculating a three-point mass model which was essential because Keplerian orbits were not a statistically acceptable fit. New data obtained in 2010 could be fit by adding a J2 and spin pole to Haumea, but new data from 2015 was far from the predicted locations, even after an extensive exploration using Bayesian Markov Chain Monte Carlo methods (using emcee). Here we report on continued investigations as to why our model cannot fit the full 10-year baseline of data. We note that by ignoring Haumea and instead examining the relative motion of the two moons in the Hi’iaka centered frame leads to adequate fits for the data. This suggests there are additional parameters connected to Haumea that will be required in a full model. These parameters are potentially related to photocenter-barycenter shifts which could be significant enough to affect the fitting process; these are unlikely to be caused by the newly discovered ring (Ortiz et al. 2017) or by unknown satellites (Burkhart et al. 2016). Additionally, we have developed a new SPIN+N-bodY integrator called SPINNY that self-consistently calculates the interactions between n-quadrupoles and is designed to test the importance of other possible effects (Haumea C22, satellite torques on the spin-pole, Sun, etc.) on our astrometric fits. By correctly determining the orbit of Haumea’s satellites we develop a better understanding of the physical properties of each of the objects with implications for the formation of Haumea, its moons, and its collisional family.

Tunable Luminescence in Sr2MgSi2O7:Tb3+, Eu3+Phosphors Based on Energy Transfer

PubMed Central

Li, Minhong; Wang, Lili; Ran, Weiguang; Deng, Zhihan; Shi, Jinsheng; Ren, Chunyan

2017-01-01

A series of Tb3+, Eu3+-doped Sr2MgSi2O7 (SMSO) phosphors were synthesized by high temperature solid-state reaction. X-ray diffraction (XRD) patterns, Rietveld refinement, photoluminescence spectra (PL), and luminescence decay curves were utilized to characterize each sample’s properties. Intense green emission due to Tb3+ 5D4→7F5 transition was observed in the Tb3+ single-doped SMSO sample, and the corresponding concentration quenching mechanism was demonstrated to be a diople-diople interaction. A wide overlap between Tb3+ emission and Eu3+ excitationspectraresults in energy transfer from Tb3+ to Eu3+. This has been demonstrated by the emission spectra and decay curves of Tb3+ in SMSO:Tb3+, Eu3+ phosphors. Energy transfer mechanism was determined to be a quadrupole-quadrupole interaction. And critical distance of energy transfer from Tb3+ to Eu3+ ions is calculated to be 6.7 Å on the basis of concentration quenching method. Moreover, white light emission was generated via adjusting concentration ratio of Tb3+ and Eu3+ in SMSO:Tb3+, Eu3+ phosphors. All the results indicate that SMSO:Tb3+, Eu3+ is a promising single-component white light emitting phosphor. PMID:28772587

Damping of spin-dipole mode and generation of quadrupole mode excitations in a spin-orbit coupled Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Li, Chuan-Hsun; Blasing, David; Chen, Yong

2017-04-01

In cold atom systems, spin excitations have been shown to be a sensitive probe of interactions and quantum statistical effects, and can be used to study spin transport in both Fermi and Bose gases. In particular, spin-dipole mode (SDM) is a type of excitation that can generate a spin current without a net mass current. We present recent measurements and analysis of SDM in a disorder-free, interacting three-dimensional (3D) 87Rb Bose-Einstein condensate (BEC) by applying spin-dependent synthetic electric fields to actuate head-on collisions between two BECs of different spin states. We experimentally study and compare the behaviors of the system following SDM excitations in the presence as well as absence of synthetic 1D spin-orbit coupling (SOC). We find that in the absence of SOC, SDM is relatively weakly damped, accompanied with collision-induced thermalization which heats up the atomic cloud. However, in the presence of SOC, we find that SDM is more strongly damped with reduced thermalization, and observe excitation of a quadrupole mode that exhibits BEC shape oscillation even after SDM is damped out. Such a mode conversion bears analogies with the Beliaev coupling process or the parametric frequency down conversion of light in nonlinear optics.

Characterization of the ELIMED prototype permanent magnet quadrupole system

NASA Astrophysics Data System (ADS)

Russo, A. D.; Schillaci, F.; Pommarel, L.; Romano, F.; Amato, A.; Amico, A. G.; Calanna, A.; Cirrone, G. A. P.; Costa, M.; Cuttone, G.; Amato, C.; De Luca, G.; Flacco, F. A.; Gallo, G.; Giove, D.; Grmek, A.; La Rosa, G.; Leanza, R.; Maggiore, M.; Malka, V.; Milluzzo, G.; Petringa, G.; Pipek, J.; Scuderi, V.; Vauzour, B.; Zappalà, E.

2017-01-01

The system described in this work is meant to be a prototype of a more performing one that will be installed at ELI-Beamlines in Prague for the collection of ions produced after the interaction Laser-target, [1]. It has been realized by the researchers of INFN-LNS (Laboratori Nazionali del Sud of the Instituto Nazionale di Fisica Nucleare) and SIGMAPHI, a French company, using a system of Permanent Magnet Quadrupoles (PMQs), [2]. The final system that will be installed in Prague is designed for protons and carbons up to 60 MeV/u, around 10 times more than the energies involved in the present work. The prototype, shown in this work, has been tested in collaboration with the SAPHIR experimental facility group at LOA (Laboratoire d'Optique Appliqueé) in Paris using a 200 TW Ti:Sapphire laser system. The purpose of this work is to validate the design and the performances of this large and compact bore system and to characterize the beam produced after the interaction laser-target and its features. Moreover, the optics simulations have been compared with a real beam shape on a GAFChromic film. The procedure used during the experimental campaign and the most relevant results are reported here demonstrating a good agreement with the simulations and a good control on the beam optics.

The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

NASA Technical Reports Server (NTRS)

Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

1991-01-01

The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

Zeeman perturbed nuclear quadrupole spin echo envelope modulations for spin 3/2 nuclei in polycrystalline specimens

NASA Astrophysics Data System (ADS)

Ramachandran, R.; Narasimhan, P. T.

The results of theoretical and experimental studies of Zeeman-perturbed nuclear quadrupole spin echo envelope modulations (ZSEEM) for spin 3/2 nuclei in polycrystalline specimens are presented. The response of the Zeeman-perturbed spin ensemble to resonant two pulse excitations has been calculated using the density matrix formalism. The theoretical calculation assumes a parallel orientation of the external r.f. and static Zeeman fields and an arbitrary orientation of these fields to the principal axes system of the electric field gradient. A numerical powder averaging procedure has been adopted to simulate the response of the polycrystalline specimens. Using a coherent pulsed nuclear quadrupole resonance spectrometer the ZSEEM patterns of the 35Cl nuclei have been recorded in polycrystalline specimens of potassium chlorate, barium chlorate, mercuric chloride (two sites) and antimony trichloride (two sites) using the π/2-τ-π/2 sequence. The theoretical and experimental ZSEEM patterns have been compared. In the case of mercuric chloride, the experimental 35Cl ZSEEM patterns are found to be nearly identical for the two sites and correspond to a near-zero value of the asymmetry parameter, η, of the electric field gradient tensor. The difference in the η values for the two 35Cl sites (η ˜0·06 and η˜0·16) in antimony trichloride is clearly reflected in the experimental and theoretical ZSEEM patterns. The present study indicates the feasibility of evaluating η for spin 3/2 nuclei in polycrystalline specimens from ZSEEM investigations.

Experimental Design for the LATOR Mission

NASA Technical Reports Server (NTRS)

Turyshev, Slava G.; Shao, Michael; Nordtvedt, Kenneth, Jr.

2004-01-01

This paper discusses experimental design for the Laser Astrometric Test Of Relativity (LATOR) mission. LATOR is designed to reach unprecedented accuracy of 1 part in 10(exp 8) in measuring the curvature of the solar gravitational field as given by the value of the key Eddington post-Newtonian parameter gamma. This mission will demonstrate the accuracy needed to measure effects of the next post-Newtonian order (near infinity G2) of light deflection resulting from gravity s intrinsic non-linearity. LATOR will provide the first precise measurement of the solar quadrupole moment parameter, J(sub 2), and will improve determination of a variety of relativistic effects including Lense-Thirring precession. The mission will benefit from the recent progress in the optical communication technologies the immediate and natural step above the standard radio-metric techniques. The key element of LATOR is a geometric redundancy provided by the laser ranging and long-baseline optical interferometry. We discuss the mission and optical designs, as well as the expected performance of this proposed mission. LATOR will lead to very robust advances in the tests of Fundamental physics: this mission could discover a violation or extension of general relativity, or reveal the presence of an additional long range interaction in the physical law. There are no analogs to the LATOR experiment; it is unique and is a natural culmination of solar system gravity experiments.

Experimental determination of the carboxylate oxygen electric-field-gradient and chemical shielding tensors in L-alanine and L-phenylalanine

NASA Astrophysics Data System (ADS)

Yamada, Kazuhiko; Asanuma, Miwako; Honda, Hisashi; Nemoto, Takahiro; Yamazaki, Toshio; Hirota, Hiroshi

2007-10-01

We report a solid-state 17O NMR study of the 17O electric-field-gradient (EFG) and chemical shielding (CS) tensors for each carboxylate group in polycrystalline L-alanine and L-phenylalanine. The magic angle spinning (MAS) and stationary 17O NMR spectra of these compounds were obtained at 9.4, 14.1, and 16.4 T. Analyzes of these 17O NMR spectra yielded reliable experimental NMR parameters including 17O CS tensor components, 17O quadrupole coupling parameters, and the relative orientations between the 17O CS and EFG tensors. The extensive quantum chemical calculations at both the restricted Hartree-Fock and density-functional theories were carried out with various basis sets to evaluate the quality of quantum chemical calculations for the 17O NMR tensors in L-alanine. For 17O CS tensors, the calculations at the B3LYP/D95 ∗∗ level could reasonably reproduce 17O CS tensors, but they still showed some discrepancies in the δ11 components by approximately 36 ppm. For 17O EFG calculations, it was advantageous to use calibrated Q value to give acceptable CQ values. The calculated results also demonstrated that not only complete intermolecular hydrogen-bonding networks to target oxygen in L-alanine, but also intermolecular interactions around the NH3+ group were significant to reproduce the 17O NMR tensors.

Some aspects of self-consistent higher-order interactions

NASA Astrophysics Data System (ADS)

Sakamoto, Hideo

2018-05-01

After a brief review of the formalism of the self-consistent higher-order interactions, applications of a ([Q 3 Q 3](2) · Q 2) type of three-body interaction to the quadrupole moment of the 3‑ state in 208Pb and the energy splitting of the septuplet of states (h 9/23‑)I with I = 3/2, 5/2, …, 15/2 in 209Bi are discussed. It is shown that if the contribution of the three-body interaction is included, the theoretical value of the Qel (3‑) moment becomes rather small compared to the experiment, but the observed small energy splitting of the septuplet can essentially be understood within the particle-vibration coupling model. Roles of non-linear field couplings provided by the self-consistent higher-order interactions are also discussed.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kellö, Vladimir

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.

Rovibrational line-shape parameters for H2 in He and new H2-He potential energy surface

NASA Astrophysics Data System (ADS)

Thibault, Franck; Patkowski, Konrad; Żuchowski, Piotr S.; Jóźwiak, Hubert; Ciuryło, Roman; Wcisło, Piotr

2017-11-01

We report a new H2-He potential energy surface that, with respect to the previous one [Bakr et al.(2013)], covers much larger range of H2 stretching and exhibits more accurate asymptotic behavior for large separations between H2 and He. Close-coupling calculations performed on this improved potential energy surface allow us to provide line shape parameters for H2 between 5 and 2000 K for Raman isotropic Q lines and anisotropic Q lines (or electric quadrupole lines) and for vibrational bands from the ground up to v = 5 and rotational quantum numbers up to j = 5 . The parameters provided include the usual pressure -broadening and -shifting coefficients as well as the real and imaginary part of Dicke contribution to the Hess profile. The latter parameters can be readily implemented in other line-shape profiles like the most recent one of Hartmann and Tran.

Unusual Enhancement of Magnetization by Pressure in the Antiferro-Quadrupole-Ordered Phase in CeB6

NASA Astrophysics Data System (ADS)

Ikeda, Suguru; Sera, Masafumi; Hane, Shingo; Uwatoko, Yoshiya; Kosaka, Masashi; Kunii, Satoru

2007-06-01

The effect of pressure on CeB6 was investigated by the measurement of the magnetization (M) under pressure, and we obtained the following results. The effect of pressure on M in phase I is very small. By applying pressure, TQ is enhanced, but TN and the critical field from the antiferromagnetic (AFM) phase III to the antiferro-quadrupole (AFQ) phase II (HcIII--II) are suppressed, as previously reported. The magnetization curve in phase III shows the characteristic shoulder at H˜ HcIII--II/2 at ambient pressure. This shoulder becomes much more pronounced by applying pressure. Both HcIII--II and the magnetic field, where a shoulder is seen in the magnetization curve in phase III, are largely suppressed by pressure. In phase II, the M-T curve at a low magnetic field exhibits an unusual concave temperature dependence below TQ down to TN. Thus, we found that the lower the magnetic field, the larger the enhancement of M in both phases III and II. To clarify the origin of the unusual pressure effect of M, we performed a mean-field calculation for the 4-sublattice model using the experimental results of dTQ/dP>0 and dTN/dP<0 and assuming the positive pressure dependence of the Txyz-antiferro-octupole (AFO) interaction. The characteristic features of the pressure effect of M obtained by the experiments could be reproduced well by the mean-field calculation. We found that the origin of the characteristic effect of pressure on CeB6 is the change in the subtle balance between the AFM interaction and the magnetic field-induced-effective FM interaction induced by the coexistence of the Oxy-AFQ and Txyz-AFO interactions under pressure.

Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy.

PubMed

López, Juan C; Cortijo, Vanessa; Blanco, Susana; Alonso, Jose L

2007-08-28

The conformational preferences of the simplest amine neurotransmitter 2-phenylethylamine have been investigated using molecular beam Fourier transform microwave (MB-FTMW) spectroscopy. Two new conformers have been observed together with the two previously reported by Godfrey et al. [J. Am. Chem. Soc., 1995, 117, 8204]. The (14)N nuclear quadrupole hyperfine structure has been resolved for all four conformers. Comparison of the experimental rotational and quadrupole coupling constants with those calculated theoretically provides a conclusive test for the identification of all conformers. The two most stable conformers present a gauche (folded) disposition of the alkyl-amine chain and are stabilised by a weak NH...pi interaction between the amino group and the aromatic ring. The other two conformers show an anti (extended) arrangement of the alkyl-amine chain. Tunnelling splittings have been observed in the spectrum of one of the anti conformers. The post expansion relative abundances in the supersonic jet have been also investigated and related to the conformer energies.

Reexamining the nuclear structure of 154Gd in the dynamic pairing plus quadrupole model

NASA Astrophysics Data System (ADS)

Gupta, J. B.; Hamilton, J. H.

2017-05-01

In a previous study of the collective multiphonon bands in 154Gd, using the microscopic dynamic pairing plus quadrupole model, data for eight K bands were analyzed. In the last four decades, its decay scheme is significantly revised and the nuclear theory has undergone a significant change. Special focus is on new weak intensity transitions in several bands and on the reassigned levels in its decay scheme. The present study represents a detailed revised analysis of the collective even parity bands below 2.1 MeV. Also, a discussion is given on the nature of the Kπ=0+ excited bands, validity of band mixing approach, and of the assumption of shape coexistence of β band with ground band. Comparison is made with the X (5) analytical symmetry and the algebraic interacting boson model predictions. Discussion of the 2 n transfer reactions is given. The validity of the multiphonon view of the Kπ=4+ and 22+ bands is also studied.

A microscopic explanation of the isotonic multiplet at N=90

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, J. B., E-mail: jbgupta2011@gmail.com

2014-08-14

The shape phase transition from spherical to soft deformed at N=88-90 was observed long ago. After the prediction of the X(5) symmetry, for which analytical solution of the nuclear Hamiltonian is given [1], good examples of X(5) nuclei were identified in the N=90 isotones of Nd, Sm, Gd and Dy, in the recent works. The N=90 isotones have almost the similar deformed level structure, forming the isotonic multiplet in Z=50-66, N=82-104 quadrant. This is explained microscopically in terms of the Nilsson level diagram. Using the Dynamic Pairing-Plus-Quadrupole model of Kumar-Baranger, the quadrupole deformation and the occupancies of the neutrons andmore » protons in these nuclei have been calculated, which support the formation of N=88, 90 isotonic multiplets. The existence of F-spin multiplets in Z=66-82, N=82-104 quadrant, identified in earlier works on the Interacting Boson Model, is also explained in our study.« less

Second-generation coil design of the Nb 3Sn low-β quadrupole for the high luminosity LHC

DOE PAGES

Bermudez, S. Izquierdo; Ambrosio, G.; Ballarino, A.; ...

2016-01-18

As part of the Large Hadron Collider Luminosity upgrade (HiLumi-LHC) program, the US LARP collaboration and CERN are working together to design and build a 150 mm aperture Nb 3Sn quadrupole for the LHC interaction regions. A first series of 1.5 m long coils were fabricated and assembled in a first short model. A detailed visual inspection of the coils was carried out to investigate cable dimensional changes during heat treatment and the position of the windings in the coil straight section and in the end region. The analyses allow identifying a set of design changes which, combined with amore » fine tune of the cable geometry and a field quality optimization, were implemented in a new, second-generation, coil design. In this study, we review the main characteristics of the first generation coils, describe the modification in coil lay-out, and discuss their impact on parts design and magnet analysis.« less

Non-target screening of Allura Red AC photodegradation products in a beverage through ultra high performance liquid chromatography coupled with hybrid triple quadrupole/linear ion trap mass spectrometry.

PubMed

Gosetti, Fabio; Chiuminatto, Ugo; Mazzucco, Eleonora; Calabrese, Giorgio; Gennaro, Maria Carla; Marengo, Emilio

2013-01-15

The study deals with the identification of the degradation products formed by simulated sunlight photoirradiation in a commercial beverage that contains Allura Red AC dye. An UHPLC-MS/MS method, that makes use of hybrid triple quadrupole/linear ion trap, was developed. In the identification step the software tool information dependent acquisition (IDA) was used to automatically obtain information about the species present and to build a multiple reaction monitoring (MRM) method with the MS/MS fragmentation pattern of the species considered. The results indicate that the identified degradation products are formed from side-reactions and/or interactions among the dye and other ingredients present in the beverage (ascorbic acid, citric acid, sucrose, aromas, strawberry juice, and extract of chamomile flowers). The presence of aromatic amine or amide functionalities in the chemical structures proposed for the degradation products might suggest potential hazards to consumer health. Copyright © 2012 Elsevier Ltd. All rights reserved.

The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al3O2

NASA Astrophysics Data System (ADS)

Zhang, Qiao-Li; Yuan, Da-Qing; Zhang, Huan-Qiao; Fan, Ping; Zuo, Yi; Zheng, Yong-Nan; Masuta, K.; Fukuda, M.; Mihara, M.; Minamisono, T.; Kitagawa, A.; Zhu, Sheng-Yun

2012-09-01

An ab initio calculation of the electric-field gradient (EFG) at the site of a phosphorous impurity substituting an Al atom in α-Al2O3 is carried out using the WIEN2k code with the full-potential linearized augmented plane wave plus local orbital method (LAPW+lo) in the frame of density functional theory. The atomic lattice relaxations caused by the implanted impurities were calculated for two different charged states to well describe the electronic structure of the doped system. The EFG at the site of the phosphorous impurity in the charged supercell calculated with the exchange-correlation potential of the Wu-Cohen generalized gradient approximation (WC-GGA) is 0.573 × 1021 V/m2. Then, the nuclear quadrupole moment of the I = 3 state in 28P is deduced to be 137 mb from the quadrupole interaction frequency of 190 kHz measured recently by the β-NQR method.

Revisiting Grodzins systematics of B(E2) values

DOE PAGES

Pritychenko, B.; Birch, M.; Singh, B.

2017-04-03

Using Grodzins formalism, we analyze systematics of our latest evaluated B(E2) data for all the even–even nuclei in Z=2–104. The analysis indicates a low predictive power of systematics for a large number of cases, and a strong correlation between B(E2) fit values and nuclear structure effects. These findings provide a strong rationale for introduction of individual or elemental (grouped by Z) fit parameters. The current estimates of quadrupole collectivities for systematics of even–even nuclei yield complementary values for comparison with experimental results and theoretical calculations. Furthermore, the lists of fit parameters and predicted B(E2) values are given and possible implicationsmore » are discussed.« less

Decay properties and reaction dynamics of zirconium isotopes in the relativistic mean-field model

NASA Astrophysics Data System (ADS)

Panigrahi, M.; Panda, R. N.; Kumar, Bharat; Patra, S. K.

In the framework of relativistic mean-field theory, the ground state properties like binding energy, charge radius and quadrupole deformation parameter for various isotopes of zirconium from the valley of stability to drip-line region have been studied. The results are compared with the experimental data and we found reasonable agreement. The calculations are carried out for β-decay energy and β-decay half-life up to the drip-line. Total reaction and elastic differential cross-sections are also studied for few zirconium isotopes as projectiles with 12C as target, using different parameter sets namely NL3*, DD-ME2 and DD-PC1 in conjunction with Glauber model.

Differentially pumped dual linear quadrupole ion trap mass spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Owen, Benjamin C.; Kenttamaa, Hilkka I.

The present disclosure provides a new tandem mass spectrometer and methods of using the same for analyzing charged particles. The differentially pumped dual linear quadrupole ion trap mass spectrometer of the present disclose includes a combination of two linear quadrupole (LQIT) mass spectrometers with differentially pumped vacuum chambers.

Decisive role of magnetism in the interaction of chromium and nickel solute atoms with 1/2$$\\langle$$111$$\\rangle$$-screw dislocation core in body-centered cubic iron

DOE PAGES

Odbadrakh, Kh.; Samolyuk, G.; Nicholson, D.; ...

2016-09-13

Resistance to swelling under irradiation and a low rate of corrosion in high temperature environments make Fe-Cr and Fe-Cr-Ni alloys promising structural materials for energy technologies. In this paper we report the results obtained using a combination of density functional theory (DFT) techniques: plane wave basis set solutions for pseudo-potentials and multiple scattering solutions for all electron potentials. We have found a very strong role of magnetism in the stability of screw dislocation cores in pure Fe and their interaction with Cr and Ni magnetic impurities. In particular, the screw dislocation quadrupole in Fe is stabilized only in the presencemore » of ferromagnetism. In addition, Ni atoms, who's magnetic moment is oriented along the magnetization direction of the Fe matrix, prefer to occupy in core positions whereas Cr atoms, which couple anti-ferromagnetically with the Fe matrix, prefer out of the dislocation core positions. In effect, Ni impurities are attracted to, while Cr impurities are repelled by the dislocation core. Moreover, we demonstrate that this contrasting behavior can be explained only by the nature of magnetic coupling of the impurities to the Fe matrix. In addition, Cr interaction with the dislocation core mirrors that of Ni if the Cr magnetic moment is constrained to be along the direction of Fe matrix magnetization. In addition, we have shown that the magnetic contribution can affect the impurity-impurity interaction at distances up to a few Burgers vectors. In particular, the distance between Cr atoms in Fe matrix should be at least 3–4 lattice parameters in order to eliminate finite size effects.« less

Experimental design for the optimization and robustness testing of a liquid chromatography tandem mass spectrometry method for the trace analysis of the potentially genotoxic 1,3-diisopropylurea.

PubMed

Székely, György; Henriques, Bruno; Gil, Marco; Alvarez, Carlos

2014-09-01

This paper discusses a design of experiments (DoE) assisted optimization and robustness testing of a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method development for the trace analysis of the potentially genotoxic 1,3-diisopropylurea (IPU) impurity in mometasone furoate glucocorticosteroid. Compared to the conventional trial-and-error method development, DoE is a cost-effective and systematic approach to system optimization by which the effects of multiple parameters and parameter interactions on a given response are considered. The LC and MS factors were studied simultaneously: flow (F), gradient (G), injection volume (Vinj), cone voltage (E(con)), and collision energy (E(col)). The optimization was carried out with respect to four responses: separation of peaks (Sep), peak area (A(p)), length of the analysis (T), and the signal-to-noise ratio (S/N). An optimization central composite face (CCF) DoE was conducted leading to the early discovery of carry-over effect which was further investigated in order to establish the maximum injectable sample load. A second DoE was conducted in order to obtain the optimal LC-MS/MS method. As part of the validation of the obtained method, its robustness was determined by conducting a fractional factorial of resolution III DoE, wherein column temperature and quadrupole resolution were considered as additional factors. The method utilizes a common Phenomenex Gemini NX C-18 HPLC analytical column with electrospray ionization and a triple quadrupole mass detector in multiple reaction monitoring (MRM) mode, resulting in short analyses with a 10-min runtime. The high sensitivity and low limit of quantification (LOQ) was achieved by (1) MRM mode (instead of single ion monitoring) and (2) avoiding the drawbacks of derivatization (incomplete reaction and time-consuming sample preparation). Quantitatively, the DoE method development strategy resulted in the robust trace analysis of IPU at 1.25 ng/mL absolute concentration corresponding to 0.25 ppm LOQ in 5 g/l mometasone furoate glucocorticosteroid. Validation was carried out in a linear range of 0.25-10 ppm and presented a relative standard deviation (RSD) of 1.08% for system precision. Regarding IPU recovery in mometasone furoate, spiked samples produced recoveries between 96 and 109 % in the range of 0.25 to 2 ppm. Copyright © 2013 John Wiley & Sons, Ltd.

Quantum correction to classical gravitational interaction between two polarizable objects

NASA Astrophysics Data System (ADS)

Wu, Puxun; Hu, Jiawei; Yu, Hongwei

2016-12-01

When gravity is quantized, there inevitably exist quantum gravitational vacuum fluctuations which induce quadrupole moments in gravitationally polarizable objects and produce a quantum correction to the classical Newtonian interaction between them. Here, based upon linearized quantum gravity and the leading-order perturbation theory, we study, from a quantum field-theoretic prospect, this quantum correction between a pair of gravitationally polarizable objects treated as two-level harmonic oscillators. We find that the interaction potential behaves like r-11 in the retarded regime and r-10 in the near regime. Our result agrees with what were recently obtained in different approaches. Our study seems to indicate that linearized quantum gravity is robust in dealing with quantum gravitational effects at low energies.

International Conference on Quantum Chemical Calculations of NMR and EPR Parameters Held in Castle Smolenice, Slovak Republic on September 14-18 1998

DTIC Science & Technology

1998-10-21

site. The electric-field- induced linear shift is also observed in the hyperfine splitting of nuclear quadrupole resonance ( NQR ) spectrum of a nucleus...located at a noncentrosymmetric site in a molecule or in crystal lattice. Thus, the linear electric field effect on the ESR and NQR hyperfine splitting...the electric field effects on ESR and NQR hyperfine couplings. Theoretical methods to calculate the electric field effects within Hartree-Fock

Testing general relativity in space-borne and astronomical laboratories

NASA Technical Reports Server (NTRS)

Will, Clifford M.

1989-01-01

The current status of space-based experiments and astronomical observations designed to test the theory of general relativity is surveyed. Consideration is given to tests of post-Newtonian gravity, searches for feeble short-range forces and gravitomagnetism, improved measurements of parameterized post-Newtonian parameter values, explorations of post-Newtonian physics, tests of the Einstein equivalence principle, observational tests of post-Newtonian orbital effects, and efforts to detect quadrupole and dipole radiation damping. Recent numerical results are presented in tables.

Aharonov–Anandan quantum phases and Landau quantization associated with a magnetic quadrupole moment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fonseca, I.C.; Bakke, K., E-mail: kbakke@fisica.ufpb.br

The arising of geometric quantum phases in the wave function of a moving particle possessing a magnetic quadrupole moment is investigated. It is shown that an Aharonov–Anandan quantum phase (Aharonov and Anandan, 1987) can be obtained in the quantum dynamics of a moving particle with a magnetic quadrupole moment. In particular, it is obtained as an analogue of the scalar Aharonov–Bohm effect for a neutral particle (Anandan, 1989). Besides, by confining the quantum particle to a hard-wall confining potential, the dependence of the energy levels on the geometric quantum phase is discussed and, as a consequence, persistent currents can arisemore » from this dependence. Finally, an analogue of the Landau quantization is discussed. -- Highlights: •Scalar Aharonov–Bohm effect for a particle possessing a magnetic quadrupole moment. •Aharonov–Anandan quantum phase for a particle with a magnetic quadrupole moment. •Dependence of the energy levels on the Aharonov–Anandan quantum phase. •Landau quantization associated with a particle possessing a magnetic quadrupole moment.« less

Curvature-induced capillary interaction of spherical particles at a liquid interface.

PubMed

Würger, Alois

2006-10-01

We consider a liquid interface with different principal curvatures +/-c and find that the mere presence of a spherical particle leads to a deformation field of quadrupolar symmetry; the corresponding "capillary quadrupole moment" is given by the ratio of the particle size and the curvature radius. The resulting pair interaction of nearby particles is anisotropic and favors the formation of aggregates of cubic symmetry. Since the single-particle trapping energy depends quadratically on curvature with a negative prefactor, a curvature gradient induces a lateral force that pushes the particles towards strongly curved regions of the interface. As an illustration we discuss the effects occurring on a catenoid.

The interaction of O(plus) ions with the interior surface of a copper chamber

NASA Technical Reports Server (NTRS)

Siegel, M. W.; Boring, J. W.

1971-01-01

Modulated beams of 0(+), Ar(+), and Kr(+) in the 100-300 eV range are directed into a copper box simulating the ante-chamber of an orbiting mass spectrometer. An RF quadrupole mass spectrometer and phase sensitive detection extract the component of the internal mass spectrum correlated with the beam. Intense Ar and Kr signals are observed; however, no O or O2 is detectable, indicating loss of the primary O(+) beam to surface interactions. All four primary ions stimulate sizeable signals at masses 26 and 28. The relevance of these experiments to the interpretation of mass spectra obtained by orbiting satellites is discussed.

Nonuniform radiation damage in permanent magnet quadrupoles.

PubMed

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.

Exact cancellation of emittance growth due to coupled transverse dynamics in solenoids and rf couplers

NASA Astrophysics Data System (ADS)

Dowell, David H.; Zhou, Feng; Schmerge, John

2018-01-01

Weak, rotated magnetic and radio frequency quadrupole fields in electron guns and injectors can couple the beam's horizontal with vertical motion, introduce correlations between otherwise orthogonal transverse momenta, and reduce the beam brightness. This paper discusses two important sources of coupled transverse dynamics common to most electron injectors. The first is quadrupole focusing followed by beam rotation in a solenoid, and the second coupling comes from a skewed high-power rf coupler or cavity port which has a rotated rf quadrupole field. It is shown that a dc quadrupole field can correct for both types of couplings and exactly cancel their emittance growths. The degree of cancellation of the rf skew quadrupole emittance is limited by the electron bunch length. Analytic expressions are derived and compared with emittance simulations and measurements.

Characterization, stoichiometry, and stability of salivary protein-tannin complexes by ESI-MS and ESI-MS/MS.

PubMed

Canon, Francis; Paté, Franck; Meudec, Emmanuelle; Marlin, Thérèse; Cheynier, Véronique; Giuliani, Alexandre; Sarni-Manchado, Pascale

2009-12-01

Numerous protein-polyphenol interactions occur in biological and food domains particularly involving proline-rich proteins, which are representative of the intrinsically unstructured protein group (IUP). Noncovalent protein-ligand complexes are readily detected by electrospray ionization mass spectrometry (ESI-MS), which also gives access to ligand binding stoichiometry. Surprisingly, the study of interactions between polyphenolic molecules and proteins is still an area where ESI-MS has poorly benefited, whereas it has been extensively applied to the detection of noncovalent complexes. Electrospray ionization mass spectrometry has been applied to the detection and the characterization of the complexes formed between tannins and a human salivary proline-rich protein (PRP), namely IB5. The study of the complex stability was achieved by low-energy collision-induced dissociation (CID) measurements, which are commonly implemented using triple quadrupole, hybrid quadrupole time-of-flight, or ion trap instruments. Complexes composed of IB5 bound to a model polyphenol EgCG have been detected by ESI-MS and further analyzed by MS/MS. Mild ESI interface conditions allowed us to observe intact noncovalent PRP-tannin complexes with stoichiometries ranging from 1:1 to 1:5. Thus, ESI-MS shows its efficiency for (1) the study of PRP-tannin interactions, (2) the determination of stoichiometry, and (3) the study of complex stability. We were able to establish unambiguously both their stoichiometries and their overall subunit architecture via tandem mass spectrometry and solution disruption experiments. Our results prove that IB5.EgCG complexes are maintained intact in the gas phase.

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

PubMed

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.

Investigation of 112Cd via the (d,p) Reaction and a Reassessment of the Quadrupole-Octupole Coupled Excitation

NASA Astrophysics Data System (ADS)

Jamieson, D. S.; Garrett, P. E.; Ball, G. C.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wirth, H.-F.; Wong, J.

The single-particle neutron states in 112Cd have been probed with the 111Cd(d,p) reaction. Beams of up to 1.2 µA of polarized 22 MeV deuterons bombarded 111Cd targets. The reaction protons were momentum analyzed with a Q3D magnetic spectrograph, with spectra were recorded at 10 angles between 10 and 60° with a resolution of 6-7 keV FWHM. In addition to the (d,p) transfer data, (d,d) elastic-scattering data were also obtained and used to ascertain the proper optical model parameters. Cross sections and analyzing powers for all levels observed to be populated were fit to results of DWBA and ADWA calculations, and spectroscopic factors were determined. The 5- level at 2373 keV, previously assigned as a member on the quadrupole-octupole quintuplet set of states because of its enhanced B(E2;5 - to 31 - ) value, was observed to be one of the strongest peaks in the spectrum, and is reassigned as the s1/2 otimes h11/2 two-quasineutron configuration.

Performance of solenoids versus quadrupoles in focusing and energy selection of laser accelerated protons

NASA Astrophysics Data System (ADS)

Hofmann, Ingo

2013-04-01

Using laser accelerated protons or ions for various applications—for example in particle therapy or short-pulse radiographic diagnostics—requires an effective method of focusing and energy selection. We derive an analytical scaling for the performance of a solenoid compared with a doublet/triplet as function of the energy, which is confirmed by TRACEWIN simulations. Generally speaking, the two approaches are equivalent in focusing capability, if parameters are such that the solenoid length approximately equals its diameter. The scaling also shows that this is usually not the case above a few MeV; consequently, a solenoid needs to be pulsed or superconducting, whereas the quadrupoles can remain conventional. It is also important that the transmission of the triplet is found only 25% lower than that of the equivalent solenoid. Both systems are equally suitable for energy selection based on their chromatic effect as is shown using an initial distribution following the RPA simulation model by Yan et al. [Phys. Rev. Lett. 103, 135001 (2009PRLTAO0031-900710.1103/PhysRevLett.103.135001].

Focusing Intense Charged Particle Beams with Achromatic Effects for Heavy Ion Fusion

NASA Astrophysics Data System (ADS)

Mitrani, James; Kaganovich, Igor

2012-10-01

Final focusing systems designed to minimize the effects of chromatic aberrations in the Neutralized Drift Compression Experiment (NDCX-II) are described. NDCX-II is a linear induction accelerator, designed to accelerate short bunches at high current. Previous experiments showed that neutralized drift compression significantly compresses the beam longitudinally (˜60x) in the z-direction, resulting in a narrow distribution in z-space, but a wide distribution in pz-space. Using simple lenses (e.g., solenoids, quadrupoles) to focus beam bunches with wide distributions in pz-space results in chromatic aberrations, leading to lower beam intensities (J/cm^2). Therefore, the final focusing system must be designed to compensate for chromatic aberrations. The paraxial ray equations and beam envelope equations are numerically solved for parameters appropriate to NDCX-II. Based on these results, conceptual designs for final focusing systems using a combination of solenoids and/or quadrupoles are optimized to compensate for chromatic aberrations. Lens aberrations and emittance growth will be investigated, and analytical results will be compared with results from numerical particle-in-cell (PIC) simulation codes.

Focused Heavy Ion Nuclear Microprobe facility at the University of North Texas

NASA Astrophysics Data System (ADS)

Guo, B. N.; Yang, C.; El Bouanani, M.; Duggan, J. L.; McDaniel, F. D.

1999-10-01

A Focused Heavy Ion Nuclear Microprobe facility has been constructed at the University of North Texas. The microprobe utilizes two separated Russian magnetic quadrupole quadruplets. The two identical magnetic quadrupole doublet lenses are separated by 2.61 meters. The lens system with ~ 80 times demagnification has the ability to focus proton, alpha particle, or heavier ions down to a spot size of ~ 1 μm. The microprobe components rest on a 7 meter steel beam support with vibration isolation. A computer provides control for the lens power supplies and also the parameters for a post-lens scanning coil to raster-scan the beam across the sample. Up to four detection channels can be used for simultaneous data acquisition under VME control. A RISC workstation is used to collect, display and analyze the data. The data is transferred via ethernet. A detailed description of the facility and data acquisition system along with preliminary testing results on TEM grids with Rutherford Backscattering Spectrometry and the Ion Beam Induced Charge Collection techniques will be presented.

Features of Electron Density Distribution in Delafossite Cualo2

NASA Astrophysics Data System (ADS)

Pogoreltsev, A. I.; Schmidt, S. V.; Gavrilenko, A. N.; Shulgin, D. A.; Korzun, B. V.; Matukhin, V. L.

2015-07-01

We have used pulsed 63,65Cu nuclear quadrupole resonance at room temperature to study the semiconductor compound CuAlO2 with a delafossite crystal structure, and we have determined the quadrupole frequency νQ = 28.12 MHz and the asymmetry parameter η ~ 0, which we used to study the features of the electron density distribution in the vicinity of the quadrupolar nucleus. In order to take into account the influence of correlation effects on the electric field gradient, we carried out ab initio calculations within the density functional theory (DFT) approximation using a set of correlation functionals VWN1RPA, VWN5, PW91LDA, CPW91, and B3LYP1. We mapped the electron density distribution in the vicinity of the quadrupolar copper nucleus for the Cu7Al6o{14/- 1} cluster and we calculated the size of the LUMO-HOMO gap, Δ ~ 3.33 eV. We established the anisotropy of the spatial electron density distribution. Based on analysis of the electron density distribution obtained, we suggest that the bond in CuAlO2 is not purely covalent.

Properties of the distorted Kerr black hole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdolrahimi, Shohreh; Tzounis, Christos; Kunz, Jutta

We investigate the properties of the ergoregion and the location of the curvature singularities for the Kerr black hole distorted by the gravitational field of external sources. The particular cases of quadrupole and octupole distortion are studied in detail. We also investigate the scalar curvature invariants of the horizon and compare their behaviour with the case of the isolated Kerr black hole. In a certain region of the parameter space the ergoregion consists of a compact region encompassing the horizon and a disconnected part extending to infinity. The curvature singularities in the domain of outer communication, when they exist, aremore » always located on the boundary of the ergoregion. We present arguments that they do not lie on the compact ergosurface. For quadrupole distortion the compact ergoregion size is negatively correlated with the horizon angular momentum when the external sources are varied. For octupole distortion infinitely many ergoregion configurations can exist for a certain horizon angular momentum. For some special cases we can have J{sup 2}/M{sup 4} > 1 and yet avoid a naked singularity.« less

Seismic equivalents of volcanic jet scaling laws and multipoles in acoustics

NASA Astrophysics Data System (ADS)

Haney, Matthew M.; Matoza, Robin S.; Fee, David; Aldridge, David F.

2018-04-01

We establish analogies between equivalent source theory in seismology (moment-tensor and single-force sources) and acoustics (monopoles, dipoles and quadrupoles) in the context of volcanic eruption signals. Although infrasound (acoustic waves < 20 Hz) from volcanic eruptions may be more complex than a simple monopole, dipole or quadrupole assumption, these elementary acoustic sources are a logical place to begin exploring relations with seismic sources. By considering the radiated power of a harmonic force source at the surface of an elastic half-space, we show that a volcanic jet or plume modelled as a seismic force has similar scaling with respect to eruption parameters (e.g. exit velocity and vent area) as an acoustic dipole. We support this by demonstrating, from first principles, a fundamental relationship that ties together explosion, torque and force sources in seismology and highlights the underlying dipole nature of seismic forces. This forges a connection between the multipole expansion of equivalent sources in acoustics and the use of forces and moments as equivalent sources in seismology. We further show that volcanic infrasound monopole and quadrupole sources exhibit scalings similar to seismicity radiated by volume injection and moment sources, respectively. We describe a scaling theory for seismic tremor during volcanic eruptions that agrees with observations showing a linear relation between radiated power of tremor and eruption rate. Volcanic tremor over the first 17 hr of the 2016 eruption at Pavlof Volcano, Alaska, obeyed the linear relation. Subsequent tremor during the main phase of the eruption did not obey the linear relation and demonstrates that volcanic eruption tremor can exhibit other scalings even during the same eruption.

TESTING THE NO-HAIR THEOREM WITH OBSERVATIONS IN THE ELECTROMAGNETIC SPECTRUM. II. BLACK HOLE IMAGES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johannsen, Tim; Psaltis, Dimitrios, E-mail: timj@physics.arizona.ed, E-mail: dpsaltis@email.arizona.ed

2010-07-20

According to the no-hair theorem, all astrophysical black holes are fully described by their masses and spins. This theorem can be tested observationally by measuring (at least) three different multipole moments of the spacetimes of black holes. In this paper, we analyze images of black holes within a framework that allows us to calculate observables in the electromagnetic spectrum as a function of the mass, spin, and, independently, the quadrupole moment of a black hole. We show that a deviation of the quadrupole moment from the expected Kerr value leads to images of black holes that are either prolate ormore » oblate depending on the sign and magnitude of the deviation. In addition, there is a ring-like structure around the black hole shadow with a diameter of {approx}10 black hole masses that is substantially brighter than the image of the underlying accretion flow and that is independent of the astrophysical details of accretion flow models. We show that the shape of this ring depends directly on the mass, spin, and quadrupole moment of the black hole and can be used for an independent measurement of all three parameters. In particular, we demonstrate that this ring is highly circular for a Kerr black hole with a spin a {approx}< 0.9 M, independent of the observer's inclination, but becomes elliptical and asymmetric if the no-hair theorem is violated. Near-future very long baseline interferometric observations of Sgr A* will image this ring and may allow for an observational test of the no-hair theorem.« less

Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

DOEpatents

Maschke, A.W.

1984-04-16

A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow through the assembly.

Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

DOEpatents

Maschke, Alfred W.

1985-01-01

A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow throughout the assembly.

The Columbia University Sub-micron Charged Particle Beam

PubMed Central

Randers-Pehrson, Gerhard; Johnson, Gary W.; Marino, Stephen A.; Xu, Yanping; Dymnikov, Alexander D.; Brenner, David J.

2009-01-01

A lens system consisting of two electrostatic quadrupole triplets has been designed and constructed at the Radiological Research Accelerator Facility (RARAF) of Columbia University. The lens system has been used to focus 6-MeV 4He ions to a beam spot in air with a diameter of 0.8 µm. The quadrupole electrodes can withstand voltages high enough to focus 4He ions up to 10 MeV and protons up to 5 MeV. The quadrupole triplet design is novel in that alignment is made through precise construction and the relative strengths of the quadrupoles are accomplished by the lengths of the elements, so that the magnitudes of the voltages required for focusing are nearly identical. The insulating sections between electrodes have had ion implantation to improve the voltage stability of the lens. The lens design employs Russian symmetry for the quadrupole elements. PMID:20161365

Exact cancellation of emittance growth due to coupled transverse dynamics in solenoids and rf couplers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dowell, David H.; Zhou, Feng; Schmerge, John

Weak, rotated magnetic and radio frequency quadrupole fields in electron guns and injectors can couple the beam’s horizontal with vertical motion, introduce correlations between otherwise orthogonal transverse momenta, and reduce the beam brightness. This paper discusses two important sources of coupled transverse dynamics common to most electron injectors. The first is quadrupole focusing followed by beam rotation in a solenoid, and the second coupling comes from a skewed high-power rf coupler or cavity port which has a rotated rf quadrupole field. It is shown that a dc quadrupole field can correct for both types of couplings and exactly cancel theirmore » emittance growths. The degree of cancellation of the rf skew quadrupole emittance is limited by the electron bunch length. Analytic expressions are derived and compared with emittance simulations and measurements.« less

Exact cancellation of emittance growth due to coupled transverse dynamics in solenoids and rf couplers

DOE PAGES

Dowell, David H.; Zhou, Feng; Schmerge, John

2018-01-17

Weak, rotated magnetic and radio frequency quadrupole fields in electron guns and injectors can couple the beam’s horizontal with vertical motion, introduce correlations between otherwise orthogonal transverse momenta, and reduce the beam brightness. This paper discusses two important sources of coupled transverse dynamics common to most electron injectors. The first is quadrupole focusing followed by beam rotation in a solenoid, and the second coupling comes from a skewed high-power rf coupler or cavity port which has a rotated rf quadrupole field. It is shown that a dc quadrupole field can correct for both types of couplings and exactly cancel theirmore » emittance growths. The degree of cancellation of the rf skew quadrupole emittance is limited by the electron bunch length. Analytic expressions are derived and compared with emittance simulations and measurements.« less

High spin states of 72-74Kr

NASA Astrophysics Data System (ADS)

Kaushik, M.; Kumawat, M.; Singh, U. K.; Saxena, G.

2018-05-01

A theoretical investigation has made on the structure of high spin states of 72-74Kr within the framework of cranked Hartree-Fock-Bogoliubov (CHFB) theory employing a pairing + quadrupole + hexadecapole model interaction. Dependence of shape with the spin, excitation energy, alignment of proton as well as neutron 0g9/2 orbital along with backbending phenomenon are discussed upto a high spin J = 26. We found reasonable agreement with the experimental values and other theoretical calculations.

Synthesis and energy transfer studies of LaMgAl{sub 11}O{sub 19}:Cr{sup 3+}, Nd{sup 3+} phosphors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Jicheng; Xia, Zhiguo; Liu, Quanlin, E-mail: qlliu@ustb.edu.cn

2016-02-15

Highlights: • Cr{sup 3+}/Nd{sup 3+} co-doped LaMgAl{sub 11}O{sub 19} phosphors were synthesized. • The energy transfer mechanism is ascribed to the dipole–quadrupole interaction. • The materials can convert the UV–vis light into near-infrared emission. - Abstract: Cr{sup 3+}/Nd{sup 3+} co-activated LaMgAl{sub 11}O{sub 19} phosphors have been synthesized by high temperature solid-state method. In the LaMgAl{sub 11}O{sub 19}:Cr{sup 3+}/Nd{sup 3+} system, Cr{sup 3+} can absorb the UV–vis photons (350–650 nm), and then energy transfer takes place between Cr{sup 3+} and Nd{sup 3+}, and finally the samples give near infrared emission originated from Nd{sup 3+}. Energy transfer from Cr{sup 3+} to Nd{supmore » 3+} is discussed via the variations of the lifetime values of Cr{sup 3+}, and the mechanism has been ascribed to the dipole–quadrupole interaction. The absorption of Cr{sup 3+} in the visible region and the following energy transfer from Cr{sup 3+} to Nd{sup 3+} indicated that the material can potentially serve as spectral convertors to improve the photovoltaic conversion efficiency of silicon-based solar cell.« less

Distal and proximal ligand interactions in heme proteins: Correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C sup 17 O- and sup 13 CO-labeled species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ki Deok Park; Guo, K.; Adebodun, F.

1991-03-05

The authors have obtained the oxygen-17 nuclear magnetic resonance (NMR) spectra of a variety of C{sup 17}O-labeled heme proteins, including sperm whale (Physeter catodon) myoglobin, two synthetic sperm whale myoglobin mutants (His E7 {yields} Val E7; His E7 {yields} Phe E7), adult human hemoglobin, rabbit (Oryctolagus cuniculus) hemoglobin, horseradish (Cochlearia armoracia) peroxidase isoenzymes A and C, and Caldariomyces fumago chloroperoxidase, in some cases as a function of pH, and have determined their isotropic {sup 17}O NMR chemical shifts, {delta}{sub i}, and spin-lattice relaxation times, T{sub 1}. They have also obtained similar results on a picket fence prophyrin. The results showmore » an excellent correlation between the infrared C-O vibrational frequencies, {nu}(C-O), and {delta}{sub i}, between {nu}(C-O) and the {sup 17}O nuclear quadrupole coupling constant, and as expected between e{sup 2}qQ/h and {delta}{sub i}. The results suggest the IR and NMR measurements reflect the same interaction, which is thought to be primarily the degree of {pi}-back-bonding from Fe d to CO {pi}* orbitals, as outlined previously.« less

Interaction of Fast Ions with Global Plasma Modes in the C-2 Field Reversed Configuration Experiment

NASA Astrophysics Data System (ADS)

Smirnov, Artem; Dettrick, Sean; Clary, Ryan; Korepanov, Sergey; Thompson, Matthew; Trask, Erik; Tuszewski, Michel

2012-10-01

A high-confinement operating regime [1] with plasma lifetimes significantly exceeding past empirical scaling laws was recently obtained by combining plasma gun edge biasing and tangential Neutral Beam Injection (NBI) in the C-2 field-reversed configuration (FRC) experiment [2, 3]. We present experimental and computational results on the interaction of fast ions with the n=2 rotational and n=1 wobble modes in the C-2 FRC. It is found that the n=2 mode is similar to quadrupole magnetic fields in its detrimental effect on the fast ion transport due to symmetry breaking. The plasma gun generates an inward radial electric field, thus stabilizing the n=2 rotational instability without applying the quadrupole magnetic fields. The resultant FRCs are nearly axisymmetric, which enables fast ion confinement. The NBI further suppresses the n=2 mode, improves the plasma confinement characteristics, and increases the plasma configuration lifetime [4]. The n=1 wobble mode has relatively little effect on the fast ion transport, likely due to the approximate axisymmetry about the displaced plasma column. [4pt] [1] M. Tuszewski et al., Phys. Rev. Lett. 108, 255008 (2012).[0pt] [2] M. Binderbauer et al., Phys. Rev. Lett. 105, 045003 (2010).[0pt] [3] H.Y. Guo et al., Phys. Plasmas 18, 056110 (2011).[0pt] [4] M. Tuszewski et al., Phys. Plasmas 19, 056108 (2012)

The temperature dependence of the hydroxyl deuterium quadrupole coupling parameter and the rotational correlation time of the OD internuclear vector in neat ethanol-d

NASA Astrophysics Data System (ADS)

Ferris, Thomas D.; Farrar, Thomas C.

The temperature dependence of the hydroxyl proton chemical shift and deuterium quadrupolar relaxation time of neat ethanol were measured over the temperature range 190-350 K. The proton isotropic chemical shift varies from 6.2 ppm at 190 K to 4.7 ppm at 350 K. The deuterium NMR relaxation time in ethanol- d 1 varies from 6.2 ms to 309 ms over the same range. Ab initio calculations performed on various ethanol clusters ranging in size from monomer to hexamer show a linear correlation ( R 2 = 0.99) between ≤D, the deuterium quadrupole coupling parameter, and δH, the isotropic proton chemical shift in ppm relative to TMS: ≤D(kHz) = 297.60 - 15.28 δH. The temperature dependence of ≤D ranges from 199.5 kHz at 190 K to 221.4 kHz at 350 K. Using the values for ≤D and the relaxation time data, the temperature dependence of the OD rotational correlation time was found to vary from 282 ps at 190 K to 4.5 ps near the boiling point (350 K). Using these correlation times and bulk viscosity data, the Gierer-Wirtz model predicts a supramolecular cluster volume of about 317 A 3 , the approximate volume of a cyclic pentamer cluter of ethanol molecules. The cluster volume was nearly constant from 340 K to about 290 K.

Nonaxial hexadecapole deformation effects on the fission barrier

NASA Astrophysics Data System (ADS)

Kardan, A.; Nejati, S.

2016-06-01

Fission barrier of the heavy nucleus 250Cf is analyzed in a multi-dimensional deformation space. This space includes two quadrupole (ɛ2,γ) and three hexadecapole deformation (ɛ40,ɛ42,ɛ44) parameters. The analysis is performed within an unpaired macroscopic-microscopic approach. Special attention is given to the effects of the axial and non-axial hexadecapole deformation shapes. It is found that the inclusion of the nonaxial hexadecapole shapes does not change the fission barrier heights, so it should be sufficient to minimize the energy in only one degree of freedom in the hexadecapole space ɛ4. The role of hexadecapole deformation parameters is also discussed on the Lublin-Strasbourg drop (LSD) macroscopic and the Strutinsky shell energies.

Study of Quantum Chaos in the Framework of Triaxial Rotator Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Proskurins, J.; Bavrins, K.; Andrejevs, A.

2009-01-28

Dynamical quantum chaos criteria--a perturbed wave function entropy W({psi}{sub i}) and a fragmentation width {kappa}({phi}{sub k}) of basis states were studied in two cases of nuclear rigid triaxial rotator models. The first model is characterized by deformation angle {gamma} only, while the second model depends on both quadrupole deformation parameters ({beta},{gamma}). The degree of chaoticity has been determined in the studies of the dependence of criteria W({psi}{sub i}) and {kappa}({phi}{sub k}) from nuclear spin values up to I{<=}101 for model parameters {gamma} and ({beta},{gamma}) correspondingly. The transition from librational to rotational type energy spectra has been considered for both modelsmore » as well.« less

Accuracy of gravitational physics tests using ranges to the inner planets

NASA Technical Reports Server (NTRS)

Ashby, N.; Bender, P.

1981-01-01

A number of different types of deviations from Kepler's laws for planetary orbits can occur in nonNewtonian metric gravitational theories. These include secular changes in all of the orbital elements and in the mean motion, plus additional periodic perturbations in the coordinates. The first order corrections to the Keplerian motion of a single planet around the Sun due to the parameterized post Newtonian theory parameters were calculated as well as the corrections due to the solar quadrupole moment and a possible secular change in the gravitational constant. The results were applied to the case of proposed high accuracy ranging experiments from the Earth to a Mercury orbiting spacecraft in order to see how well the various parameters can be determined.

A 93Nb solid-state NMR and density functional theory study of four- and six-coordinate niobate systems.

PubMed

Hanna, John V; Pike, Kevin J; Charpentier, Thibault; Kemp, Thomas F; Smith, Mark E; Lucier, Bryan E G; Schurko, Robert W; Cahill, Lindsay S

2010-03-08

A variable B(0) field static (broadline) NMR study of a large suite of niobate materials has enabled the elucidation of high-precision measurement of (93)Nb NMR interaction parameters such as the isotropic chemical shift (delta(iso)), quadrupole coupling constant and asymmetry parameter (C(Q) and eta(Q)), chemical shift span/anisotropy and skew/asymmetry (Omega/Deltadelta and kappa/eta(delta)) and Euler angles (alpha, beta, gamma) describing the relative orientation of the quadrupolar and chemical shift tensorial frames. These measurements have been augmented with ab initio DFT calculations by using WIEN2k and NMR-CASTEP codes, which corroborate these reported values. Unlike previous assertions made about the inability to detect CSA (chemical shift anisotropy) contributions from Nb(V) in most oxo environments, this study emphasises that a thorough variable B(0) approach coupled with the VOCS (variable offset cumulative spectroscopy) technique for the acquisition of undistorted broad (-1/2<-->+1/2) central transition resonances facilitates the unambiguous observation of both quadrupolar and CSA contributions within these (93)Nb broadline data. These measurements reveal that the (93)Nb electric field gradient tensor is a particularly sensitive measure of the immediate and extended environments of the Nb(V) positions, with C(Q) values in the 0 to >80 MHz range being measured; similarly, the delta(iso) (covering an approximately 250 ppm range) and Omega values (covering a 0 to approximately 800 ppm range) characteristic of these niobate systems are also sensitive to structural disposition. However, their systematic rationalisation in terms of the Nb-O bond angles and distances defining the immediate Nb(V) oxo environment is complicated by longer-range influences that usually involve other heavy elements comprising the structure. It has also been established in this study that the best computational method(s) of analysis for the (93)Nb NMR interaction parameters generated here are the all-electron WIEN2k and the gauge included projector augmented wave (GIPAW) NMR-CASTEP DFT approaches, which account for the short- and long-range symmetries, periodicities and interaction-potential characteristics for all elements (and particularly the heavy elements) in comparison with Gaussian 03 methods, which focus on terminated portions of the total structure.

Iron-oxide Aerogel and Xerogel Catalyst Formulations: Characterization by 57Fe Mössbauer and XAFS Spectroscopies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huggins, F.; Bali, S; Huffman, G

2010-01-01

Iron in various iron-oxide aerogel and xerogel catalyst formulations ({ge}85% Fe{sub 2}O{sub 3}; {le}10% K, Co, Cu, or Pd) developed for possible use in Fischer-Tropsch synthesis (FTS) or the water-gas-shift (WGS) reaction has been examined by {sup 57}Fe Moessbauer spectroscopy. The seventeen samples consisted of both as-prepared and calcined aerogels and xerogels and their products after use as catalysts for FTS or the WGS reaction. Complementary XAFS spectra were obtained on the occurrence of the secondary elements in some of the same materials. A broad, slightly asymmetric, two-peak Moessbauer spectrum was obtained from the different as-prepared and calcined catalyst formulationsmore » in the majority of cases. Such spectra could only be satisfactorily fit with three quadrupole doublet components, but no systematic trends in the isomer shift and quadrupole splitting parameters and area ratios of the individual components could be discerned that reflected variations in the composition or preparation of the aerogel or xerogel materials. However, significant reductions were noted in the Moessbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, {chi}{sub eff}/g, determined at room temperature, for aerogels and xerogels compared to bulk iron oxides, reflecting the openness and lack of rigidity of the aerogel and xerogel structures. Moessbauer measurements for two aerogels over the range from 15 to 292 K confirmed the greatly diminished nature of this parameter at room temperature. Major increases in the effective thickness parameter were observed when the open structure of the aerogel or xerogel collapsed during calcination resulting in the formation of iron oxides (hematite, spinel ferrite). Similar structural changes were indicated by increases in this parameter after use of iron-oxide aerogels as catalysts for FTS or the WGS reaction, during which the iron-oxide aerogel was converted to a mixture of nonstoichiometric magnetite and the Haegg carbide, {chi}-Fe{sub 5}C{sub 2}, or nonstoichiometric magnetite, respectively.« less

Photoionization of Ne8+

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Abdel-Naby, Sh. A.; Robicheaux, F.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Ne8+ are calculated using a non-perturbative fully relativistic time-dependent close-coupling method. A Bessel function expansion is used to include both dipole and quadrupole effects in the radiation field interaction and the repulsive interaction between electrons includes both the Coulomb and Gaunt interactions. The fully correlated ground state of Ne8+ is obtained by solving a time-independent inhomogeneous set of close-coupled equations. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ at energies easily accessible at advanced free electron laser facilities. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Low-mass neutron stars: universal relations, the nuclear symmetry energy and gravitational radiation

NASA Astrophysics Data System (ADS)

O. Silva, Hector; Berti, Emanuele; Sotani, Hajime

2016-03-01

Compact objects such as neutron stars are ideal astrophysical laboratories to test our understanding of the fundamental interactions in the regime of supranuclear densities, unachievable by terrestrial experiments. Despite recent progress, the description of matter (i.e., the equation of state) at such densities is still debatable. This translates into uncertainties in the bulk properties of neutron stars, masses and radii for instance. Here we will consider low-mass neutron stars. Such stars are expected to carry important information on nuclear matter near the nuclear saturation point. It has recently been shown that the masses and surface redshifts of low-mass neutron stars smoothly depend on simple functions of the central density and of a characteristic parameter η associated with the choice of equation of state. Here we extend these results to slowly-rotating and tidally deformed stars and obtain empirical relations for various quantities, such as the moment of inertia, quadrupole moment and ellipticity, tidal and rotational Love numbers, and rotational apsidal constants. We discuss how these relations might be used to constrain the equation of state by future observations in the electromagnetic and gravitational-wave spectra.

Hyperfine Quantum Beat Spectroscopy of the Cs 8p level with Pulsed Pump-Probe Technique

NASA Astrophysics Data System (ADS)

Bayram, Burcin; Popov, Oleg; Kelly, Stephen; Boyle, Patrick; Salsman, Andrew

2013-05-01

Quantum beats arising from the hyperfine interaction were measured in a three-level excitation (lambda) scheme: pump for the 6s2S1 / 2 --> 8p2P3 / 2 and stimulated emission pump (probe) for the 8p2P3 / 2 --> 5d2D5 / 2 transitions of atomic cesium. In the technique, pump laser instantaneously excites the hot atomic vapor and creates anisotropy in the 8p2P3 / 2 level, and probe laser comes after some time delay. Delaying the probe time allows us to map out the motion of the polarized atoms like a stroboscope. According to the observed evolution of the hyperfine structure dependent parameters, e.g. alignment and atomic polarization, by delaying the arrival time of the stimulated emission pump laser (SEP), precise values of the magnetic dipole and electric quadrupole coefficients are obtained with an improved precision over previous results. The usefulness of the PUMP-SEP excitation scheme for the polarization hyperfine quantum beat measurements without complications from the Doppler effect will also be discussed. The financial support of the Research Corporation under the Grant number CC7133 and MiamiUniversity, College of the Arts and Sciences are acknowledged.

Brueckner G -matrix approach for neutron-proton pairing correlations in the deformed BCS approach

NASA Astrophysics Data System (ADS)

Ha, Eunja; Cheoun, Myung-Ki; Šimkovic, F.

2015-10-01

Ground states of even-even Ge isotopes with mass number A =64 -76 have been studied in the deformed Bardeen-Cooper-Schrieffer (BCS) theory by taking neutron-proton (n p ) pairing correlations as well as neutron-neutron (n n ) and proton-proton (p p ) pairing correlations. The n p pairing has two different modes J =0 ,T =1 (isotriplet) and J =1 ,T =0 (isosinglet). In this work, the Brueckner G matrix, based on the CD-Bonn potential, has been exploited to reduce the ambiguity regarding nucleon-nucleon interactions inside nuclei compared to the results by a simple schematic phenomenological force. We found that the G matrix plays important roles to obtain reasonable descriptions of even-even nuclei compared to the schematic force. The n p pairing strength has been shown to have a clear correlation with quadrupole deformation parameter β2 for the isotopes, and affects the smearing of the Fermi surfaces of not only N =Z nuclei but also N ≠Z nuclei. In particular, the coexistence of the like particle (n n and p p ) and the n p pairing modes was found to become more salient by the G -matrix approach than by the schematic force approach.

A hydrodynamic mechanism for spontaneous formation of ordered drop arrays in confined shear flow

NASA Astrophysics Data System (ADS)

Singha, Sagnik; Zurita-Gotor, Mauricio; Loewenberg, Michael; Migler, Kalman; Blawzdziewicz, Jerzy

2017-11-01

It has been experimentally demonstrated that a drop monolayer driven by a confined shear flow in a Couette device can spontaneously arrange into a flow-oriented parallel chain microstructure. However, the hydrodynamic mechanism of this puzzling self-assembly phenomenon has so far eluded explanation. In a recent publication we suggested that the observed spontaneous drop ordering may arise from hydrodynamic interparticle interactions via a far-field quadrupolar Hele-Shaw flow associated with drop deformation. To verify this conjecture we have developed a simple numerical-simulation model that includes the far-field Hele-Shaw flow quadrupoles and a near-field short-range repulsion. Our simulations show that an initially disordered particle configuration self-organizes into a system of particle chains, similar to the experimentally observed drop-chain structures. The initial stage of chain formation is fast; subsequently, microstructural defects in a partially ordered system are removed by slow annealing, leading to an array of equally spaced parallel chains with a small number of defects. The microstructure evolution is analyzed using angular and spatial order parameters and correlation functions. Supported by NSF Grants No. CBET 1603627 and CBET 1603806.

DIFFICULTY IN THE FORMATION OF COUNTER-ORBITING HOT JUPITERS FROM NEAR-COPLANAR HIERARCHICAL TRIPLE SYSTEMS: A SUB-STELLAR PERTURBER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, Yuxin; Suto, Yasushi, E-mail: yuxin@utap.phys.s.u-tokyo.ac.jp

2016-03-20

Among 100 transiting planets with a measured projected spin–orbit angle λ, several systems are suggested to be counter-orbiting. While these cases may be due to the projection effect, the mechanism that produces a counter-orbiting planet has not been established. A promising scenario for counter-orbiting planets is the extreme eccentricity evolution in near-coplanar hierarchical triple systems with eccentric inner and outer orbits. We examine this scenario in detail by performing a series of systematic numerical simulations, and consider the possibility of forming hot Jupiters (HJs), especially a counter-orbiting one under this mechanism with a distant sub-stellar perturber. We incorporate quadrupole andmore » octupole secular gravitational interaction between the two orbits, and also short-range forces (correction for general relativity, star and inner planetary tide, and rotational distortion) simultaneously. We find that most systems are tidally disrupted and that a small fraction of the surviving planets turn out to be prograde. The formation of counter-orbiting HJs in this scenario is possible only in a very restricted parameter region, and thus is very unlikely in practice.« less

Spin cat state generation for quadrupolar nuclei in semiconductor quantum dots or defect centers

NASA Astrophysics Data System (ADS)

Bulutay, Ceyhun

Implementing spin-based quantum information encoding schemes in semiconductors has a high priority. The so-called cat codes offer a paradigm that enables hardware-efficient error correction. Their inauguration to semiconductor-based nuclear magnetic resonance framework hinges upon the realization of coherent spin states (CSS). In this work, we show how the crucial superpositions of CSS can be generated for the nuclear spins. This is through the intrinsic electric quadrupole interaction involving a critical role by the biaxiality term that is readily available, as in strained heterostructures of semiconductors, or defect centers having nearby quadrupolar spins. The persistence of the cat states is achieved using a rotation pulse so as to harness the underlying fixed points of the classical Hamiltonian. We classify the two distinct types as polar- and equator-bound over the Bloch sphere with respect to principal axes. Their optimal performance as well as sensitivity under numerous parameter deviations are analyzed. Finally, we present how these modulo-2 cat states can be extended to modulo-4 by a three-pulse scheme. This work was supported by TUBITAK, The Scientific and Technological Research Council of Turkey through the project No. 114F409.

Permanent magnet edge-field quadrupole

DOEpatents

Tatchyn, R.O.

1997-01-21

Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis. 10 figs.

Permanent magnet edge-field quadrupole

DOEpatents

Tatchyn, Roman O.

1997-01-01

Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis.

Investigating a Quadrant Surface Coil Array for NQR Remote Sensing

DTIC Science & Technology

2014-10-23

UNCLASSIFIED 1  Abstract—this paper is on the design and fabrication of a surface coil array in a quadrant layout for NQR (Nuclear Quadrupole...coupling and SNR (Signal-to-Noise Ratio) at standoff distances perpendicular from each coil. Index Terms— Nuclear Quadrupole Resonance, NQR ...Coil Array, probe, Nuclear Magnetic Resonance, tuning, decoupling, RLC, mutual coupling, RLC I. INTRODUCTION N Nuclear quadrupole resonance ( NQR

Phase diagram of an extended Agassi model

NASA Astrophysics Data System (ADS)

García-Ramos, J. E.; Dukelsky, J.; Pérez-Fernández, P.; Arias, J. M.

2018-05-01

Background: The Agassi model [D. Agassi, Nucl. Phys. A 116, 49 (1968), 10.1016/0375-9474(68)90482-X] is an extension of the Lipkin-Meshkov-Glick (LMG) model [H. J. Lipkin, N. Meshkov, and A. J. Glick, Nucl. Phys. 62, 188 (1965), 10.1016/0029-5582(65)90862-X] that incorporates the pairing interaction. It is a schematic model that describes the interplay between particle-hole and pair correlations. It was proposed in the 1960s by D. Agassi as a model to simulate the properties of the quadrupole plus pairing model. Purpose: The aim of this work is to extend a previous study by Davis and Heiss [J. Phys. G: Nucl. Phys. 12, 805 (1986), 10.1088/0305-4616/12/9/006] generalizing the Agassi model and analyze in detail the phase diagram of the model as well as the different regions with coexistence of several phases. Method: We solve the model Hamiltonian through the Hartree-Fock-Bogoliubov (HFB) approximation, introducing two variational parameters that play the role of order parameters. We also compare the HFB calculations with the exact ones. Results: We obtain the phase diagram of the model and classify the order of the different quantum phase transitions appearing in the diagram. The phase diagram presents broad regions where several phases, up to three, coexist. Moreover, there is also a line and a point where four and five phases are degenerated, respectively. Conclusions: The phase diagram of the extended Agassi model presents a rich variety of phases. Phase coexistence is present in extended areas of the parameter space. The model could be an important tool for benchmarking novel many-body approximations.

2n-emission from 205Pb* nucleus using clusterization approach at Ebeam˜14-20 MeV

NASA Astrophysics Data System (ADS)

Kaur, Amandeep; Sandhu, Kiran; Sharma, Manoj Kumar

2016-05-01

The dynamics involved in n-induced reaction with 204Pb target is analyzed and the decay of the composite system 205Pb* is governed within the collective clusterization approach of the Dynamical Cluster-decay Model (DCM). The experimental data for 2n-evaporation channel is available for neutron energy range of 14-20 MeV and is addressed by optimizing the only parameter of the model, the neck-length parameter (ΔR). The calculations are done by taking the quadrupole (β2) deformations of the decaying fragments and the calculated 2n-emission cross-sections find nice agreement with available data. An effort is made to study the role of level density parameter in the decay of hot-rotating nucleus, and the mass dependence in level density parameter is exercised for the first time in DCM based calculations. It is to be noted that the effect of deformation, temperature and angular momentum etc. is studied to extract better description of the dynamics involved.

Energetic ion mass analysis using a radio-frequency quadrupole filter.

PubMed

Medley, S S

1978-06-01

In conventional applications of the radio-frequency quadrupole mass analyzer, the ion injection energy is usually limited to less than the order of 100 eV due to constraints on the dimensions and power supply of the device. However, requirements often arise, for example in fusion plasma ion diagnostics, for mass analysis of much more energetic ions. A technique easily adaptable to any conventional quadrupole analyzer which circumvents the limitation on injection energy is documented in this paper. Briefly, a retarding potential applied to the pole assembly is shown to facilitate mass analysis of multikiloelectron volt ions without altering the salient characteristics of either the quadrupole filter or the ion beam.

An overview of the evaluation of oxygen interaction with materials-third phase (EOIM-III) experiment - Space Shuttle Mission 46

NASA Technical Reports Server (NTRS)

Leger, Lubert J.; Koontz, Steven L.; Visentine, James T.; Hunton, Donald

1993-01-01

An overview of EOIM-III, designed to produce benchmark atomic oxygen reactivity data is presented. Ambient density measurements are conducted using a quadrupole mass spectrometer calibrated for atomic oxygen measurements in a unique ground-based test facility. The combination of these data with the predictions of ambient density models permits an assessment of the accuracy of measured reaction rates on a variety of materials, many of which have never been tested in LEO previously.

Pocket formula for nuclear deformations of actinides

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.; Sridhar, K. N.

2018-06-01

We have formulated a pocket formula for quadrupole (β2), octupole (β3), hexadecapole (β4) and hexacontatetrapole (β6) deformation of the nuclear ground state of all isotopes of actinide nuclei (89 < Z < 103). This formula is first of its kind and produces a nuclear deformation of all isotopes actinide nuclei 89 < Z < 103 with simple inputs of Z and A. Hence, this formula is useful in the fields of nuclear physics to study the structure and interaction of nuclei.

Machine detector interface studies: Layout and synchrotron radiation estimate in the future circular collider interaction region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boscolo, Manuela; Burkhardt, Helmut; Sullivan, Michael

The interaction region layout for the e +e – future circular collider FCC-ee is presented together with a preliminary estimate of synchrotron radiation that affects this region. We describe in this paper the main guidelines of this design and the estimate of synchrotron radiation coming from the last bending magnets and from the final focus quadrupoles, with the software tools developed for this purpose. Here, the design follows the asymmetric optics layout as far as incoming bend radiation is concerned with the maximum foreseen beam energy of 175 GeV and we present a feasible initial layout with an indication ofmore » tolerable synchrotron radiation.« less

Machine detector interface studies: Layout and synchrotron radiation estimate in the future circular collider interaction region

DOE PAGES

Boscolo, Manuela; Burkhardt, Helmut; Sullivan, Michael

2017-01-27

The interaction region layout for the e +e – future circular collider FCC-ee is presented together with a preliminary estimate of synchrotron radiation that affects this region. We describe in this paper the main guidelines of this design and the estimate of synchrotron radiation coming from the last bending magnets and from the final focus quadrupoles, with the software tools developed for this purpose. Here, the design follows the asymmetric optics layout as far as incoming bend radiation is concerned with the maximum foreseen beam energy of 175 GeV and we present a feasible initial layout with an indication ofmore » tolerable synchrotron radiation.« less

Sources of sound in fluid flows

NASA Technical Reports Server (NTRS)

Williams, J. E. F.

1974-01-01

Some features of a flow that produce acoustic radiation, particularly when the flow is turbulent and interacting with solid surfaces such as turbine or compressor blades are discussed. Early theoretical ideas on the subject are reviewed and are shown to be inadequate at high Mach number. Some recent theoretical developments that form the basis of a description of sound generation by supersonic flows interacting with surfaces are described. At high frequencies the problem is treated as one of describing the surface-induced diffraction field of adjacent aerodynamic quadrupole sources. This approach has given rise to distinctly new features of the problem that seem to have bearing on the radiating properties of relatively large aerodynamic surfaces.

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Possible test at Jupiter of the nonsymmetric gravitational theory

NASA Technical Reports Server (NTRS)

Krisher, Timothy P.

1989-01-01

Radiometric data generated during spacecraft flybys of Jupiter have the capability to provide an interesting constraint on the coupling of cosmions in the nonsymmetric gravitational theory (NGT) of Moffat. It is shown that the close flyby of Jupiter by Pioneer 11 could imply a possible limit on the NGT l parameter of the sun of solar l less than 2800 km, a limit which could affect the ability of the NGT to account for the precession of the perihelion of Mercury with a large solar quadrupole moment.

Quantitative structure parameters from the NMR spectroscopy of quadrupolar nuclei

DOE PAGES

Perras, Frederic A.

2015-12-15

Here, nuclear magnetic resonance (NMR) spectroscopy is one of the most important characterization tools in chemistry, however, 3/4 of the NMR active nuclei are underutilized due to their quadrupolar nature. This short review centers on the development of methods that use solid-state NMR of quadrupolar nuclei for obtaining quantitative structural information. Namely, techniques using dipolar recoupling as well as the resolution afforded by double-rotation are presented for the measurement of spin–spin coupling between quadrupoles, enabling the measurement of internuclear distances and connectivities.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bodin, A.; Laloo, R.; Abeilhou, P.

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 resultsmore » 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.« less

Evaluating Mass Analyzers as Candidates for Small, Portable, Rugged Single Point Mass Spectrometers for Analysis of Permanent Gases

NASA Technical Reports Server (NTRS)

Arkin, C. Richard; Ottens, Andrew K.; Diaz, Jorge A.; Griffin, Timothy P.; Follestein, Duke; Adams, Fredrick; Steinrock, T. (Technical Monitor)

2001-01-01

For Space Shuttle launch safety, there is a need to monitor the concentration Of H2, He, O2, and Ar around the launch vehicle. Currently a large mass spectrometry system performs this task, using long transport lines to draw in samples. There is great interest in replacing this stationary system with several miniature, portable, rugged mass spectrometers which act as point sensors which can be placed at the sampling point. Five commercial and two non-commercial analyzers are evaluated. The five commercial systems include the Leybold Inficon XPR-2 linear quadrupole, the Stanford Research (SRS-100) linear quadrupole, the Ferran linear quadrupole array, the ThermoQuest Polaris-Q quadrupole ion trap, and the IonWerks Time-of-Flight (TOF). The non-commercial systems include a compact double focusing sector (CDFMS) developed at the University of Minnesota, and a quadrupole ion trap (UF-IT) developed at the University of Florida.

Triple Quadrupole Versus High Resolution Quadrupole-Time-of-Flight Mass Spectrometry for Quantitative LC-MS/MS Analysis of 25-Hydroxyvitamin D in Human Serum

NASA Astrophysics Data System (ADS)

Geib, Timon; Sleno, Lekha; Hall, Rabea A.; Stokes, Caroline S.; Volmer, Dietrich A.

2016-08-01

We describe a systematic comparison of high and low resolution LC-MS/MS assays for quantification of 25-hydroxyvitamin D3 in human serum. Identical sample preparation, chromatography separations, electrospray ionization sources, precursor ion selection, and ion activation were used; the two assays differed only in the implemented final mass analyzer stage; viz. high resolution quadrupole-quadrupole-time-of-flight (QqTOF) versus low resolution triple quadrupole instruments. The results were assessed against measured concentration levels from a routine clinical chemiluminescence immunoassay. Isobaric interferences prevented the simple use of TOF-MS spectra for extraction of accurate masses and necessitated the application of collision-induced dissociation on the QqTOF platform. The two mass spectrometry assays provided very similar analytical figures of merit, reflecting the lack of relevant isobaric interferences in the MS/MS domain, and were successfully applied to determine the levels of 25-hydroxyvitamin D for patients with chronic liver disease.

Production and installation of the LHC low-beta triplets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feher, S.; Bossert, R.; DiMarco, J.

2005-09-01

The LHC performance depends critically on the low-{beta}, triplets, located on either side of the four interaction points. Each triplet consists of four superconducting quadrupole magnets, which must operate reliably at up to 215 T/m, sustain extremely high heat loads and have an excellent field quality. A collaboration of CERN, Fermilab and KEK was formed in 1996 to design and build the triplet systems, and after nine years of joint effort the production has been completed in 2005. We retrace the main events of the project and present the design features and performance of the low-{beta} quadrupoles, built by KEKmore » and Fermilab, as well as of other vital elements of the triplet. The tunnel installation of the first triplet and plans for commissioning in the LHC are also presented. Apart from the excellent technical results, the construction of the LHC low-{beta} triplets has been a highly enriching experience combining harmoniously the different competences and approaches to engineering in a style reminiscent of high energy physics experiment collaborations, and rarely before achieved in construction of an accelerator.« less

Energy levels, lifetimes, and transition rates for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI

NASA Astrophysics Data System (ADS)

Wang, K.; Yang, X.; Chen, Z. B.; Si, R.; Chen, C. Y.; Yan, J.; Zhao, X. H.; Dang, W.

2017-09-01

Energy levels, wavelengths, lifetimes, oscillator strengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among the 46 fine structure levels belonging to the ([ Ar ] 3d10) 4s2 4p4, ([ Ar ] 3d10) 4s2 4p3 4 d, and ([ Ar ] 3d10) 4 s 4p5 configurations for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI are reported. These data are determined in the multi-configuration Dirac-Fock (MCDF) approach, in which relativistic effects, main electron correlations within the n = 7 complex, Breit interaction (BI), and quantum electrodynamic (QED) corrections are included. The many-body perturbation theory (MBPT) method is also employed as an independent calculation to confirm the present accuracy, taking W XLI as an example. Comparisons and analysis are made between the present results and available experimental and theoretical ones, and good agreements are obtained. These accurate data are expected to be useful in nuclear fusion research and astrophysical applications.

Ultrahigh-resolution γ-ray spectroscopy of 156Gd: a test of tetrahedral symmetry.

PubMed

Jentschel, M; Urban, W; Krempel, J; Tonev, D; Dudek, J; Curien, D; Lauss, B; de Angelis, G; Petkov, P

2010-06-04

Tetrahedral symmetry in strongly interacting systems would establish a new class of quantum effects at subatomic scale. Excited states in 156Gd that could carry the information about the tetrahedral symmetry were populated in the 155Gd(n,γ)156Gd reaction and studied using the GAMS4/5 Bragg spectrometers at the Institut Laue-Langevin. We have identified the 5(1)- → 3(1)- transition of 131.983(12) keV in 156Gd and determined its intensity to be 1.9(3)x10(-6) per neutron capture. The lifetime τ=220(-30)(+180) fs of the 5(1)- state in 156Gd has been measured using the GRID technique. The resulting B(E2)=293(-134)(+6) Weisskopf unit rate of the 131.983 keV transition provides the intrinsic quadrupole moment of the 5(1)- state in 156Gd to be Q0=7.1(-1.6)(+0.7) b. This large value, comparable to the quadrupole moment of the ground state in 156Gd, gives strong evidence against tetrahedral symmetry in the lowest odd-spin, negative-parity band of 156Gd.

Comprehensive two-dimensional gas chromatography in combination with rapid scanning quadrupole mass spectrometry in perfume analysis.

PubMed

Mondello, Luigi; Casillia, Alessandro; Tranchida, Peter Quinto; Dugo, Giovanni; Dugo, Paola

2005-03-04

Single column gas chromatography (GC) in combination with a flame ionization detector (FID) and/or a mass spectrometer is routinely employed in the determination of perfume profiles. The latter are to be considered medium to highly complex matrices and, as such, can only be partially separated even on long capillaries. Inevitably, several monodimensional peaks are the result of two or more overlapping components, often hindering reliable identification and quantitation. The present investigation is based on the use of a comprehensive GC (GC x GC) method, in vacuum outlet conditions, for the near to complete resolution of a complex perfume sample. A rapid scanning quadrupole mass spectrometry (qMS) system, employed for the assignment of GC x GC peaks, supplied high quality mass spectra. The validity of the three-dimensional (3D) GC x GC-qMS application was measured and compared to that of GC-qMS analysis on the same matrix. Peak identification, in all applications, was achieved through MS spectra library matching and the interactive use of linear retention indices (LRI).

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.

PubMed

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.

CFD Modelling of a Quadrupole Vortex Inside a Cylindrical Channel for Research into Advanced Hybrid Rocket Designs

NASA Astrophysics Data System (ADS)

Godfrey, B.; Majdalani, J.

2014-11-01

This study relies on computational fluid dynamics (CFD) tools to analyse a possible method for creating a stable quadrupole vortex within a simulated, circular-port, cylindrical rocket chamber. A model of the vortex generator is created in a SolidWorks CAD program and then the grid is generated using the Pointwise mesh generation software. The non-reactive flowfield is simulated using an open source computational program, Stanford University Unstructured (SU2). Subsequent analysis and visualization are performed using ParaView. The vortex generation approach that we employ consists of four tangentially injected monopole vortex generators that are arranged symmetrically with respect to the center of the chamber in such a way to produce a quadrupole vortex with a common downwash. The present investigation focuses on characterizing the flow dynamics so that future investigations can be undertaken with increasing levels of complexity. Our CFD simulations help to elucidate the onset of vortex filaments within the monopole tubes, and the evolution of quadrupole vortices downstream of the injection faceplate. Our results indicate that the quadrupole vortices produced using the present injection pattern can become quickly unstable to the extent of dissipating soon after being introduced into simulated rocket chamber. We conclude that a change in the geometrical configuration will be necessary to produce more stable quadrupoles.

RESONANT POST-NEWTONIAN ECCENTRICITY EXCITATION IN HIERARCHICAL THREE-BODY SYSTEMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naoz, Smadar; Kocsis, Bence; Loeb, Abraham

2013-08-20

We study the secular, hierarchical three-body problem to first-order in a post-Newtonian expansion of general relativity (GR). We expand the first-order post-Newtonian Hamiltonian to leading-order in the ratio of the semi-major axis of the two orbits. In addition to the well-known terms that correspond to the GR precession of the inner and outer orbits, we find a new secular post-Newtonian interaction term that can affect the long-term evolution of the triple. We explore the parameter space for highly inclined and eccentric systems, where the Kozai-Lidov mechanism can produce large-amplitude oscillations in the eccentricities. The standard lore, i.e., that GR effectsmore » suppress eccentricity, is only consistent with the parts of phase space where the GR timescales are several orders of magnitude shorter than the secular Newtonian one. In other parts of phase space, however, post-Newtonian corrections combined with the three-body ones can excite eccentricities. In particular, for systems where the GR timescale is comparable to the secular Newtonian timescales, the three-body interactions give rise to a resonant-like eccentricity excitation. Furthermore, for triples with a comparable-mass inner binary, where the eccentric Kozai-Lidov mechanism is suppressed, post-Newtonian corrections can further increase the eccentricity and lead to orbital flips even when the timescale of the former is much longer than the timescale of the secular Kozai-Lidov quadrupole perturbations.« less

Design of aromatic-containing cell-penetrating peptide mimics with structurally modified π electronics.

PubMed

deRonde, Brittany M; Birke, Alexander; Tew, Gregory N

2015-02-09

Cell-penetrating peptides (CPPs) and their synthetic mimics (CPPMs) represent a class of molecules that facilitate the intracellular delivery of various cargo. Previous studies indicated that the presence of aromatic functionalities improved CPPM activity. Given that aromatic functionalities play prominent roles in membrane biology and participate in various π interactions, we explored whether these interactions could be optimized for improved CPPM activity. CPPMs were synthesized by ring-opening metathesis polymerization by using monomers that contained aromatic rings substituted with electron-donating and electron-withdrawing groups and covered an electrostatic potential range from -29.69 to +15.57 kcal mol(-1) . These groups altered the quadrupole moments of the aromatic systems and were used to test if such structural modifications changed CPPM activity. CPPMs were added to dye-loaded vesicles and the release of carboxyfluorescein was monitored as a function of polymer concentration. Changes in the effective polymer concentration to release 50% of the dye (effective concentration, EC50 ) were monitored. Results from this assay showed that the strength of the electron-donating and electron-withdrawing groups incorporated in the CPPMs did not alter polymer EC50 values or activity. This suggests that other design parameters may have a stronger impact on CPPM activity. In addition, these results indicate that a wide range of aromatic groups can be incorporated without negatively impacting polymer activity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation of Oxygen Interactions with Materials 3: Mission and induced environments

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Leger, Lubert J.; Rickman, Steven L.; Hakes, Charles L.; Bui, David T.; Hunton, Donald; Cross, Jon B.

1995-01-01

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen/material reactivity data. The experiment was conducted during Space Shuttle mission 46 (STS-46), which flew July 31 to August 7, 1992. Quantitative interpretation of the materials reactivity measurements requires a complete and accurate definition of the space environment exposure, including the thermal history of the payload, the solar ultraviolet exposure, the atomic oxygen fluence, and any spacecraft outgassing contamination effects. The thermal history of the payload was measured using twelve thermocouple sensors placed behind selected samples and on the EOIM-3 payload structure. The solar ultraviolet exposure history of the EOIM-3 payload was determined by analysis of the as-flown orbit and vehicle attitude combined with daily average solar ultraviolet and vacuum ultraviolet (UV/VUV) fluxes. The atomic oxygen fluence was assessed in three different ways. First, the O-atom fluence was calculated using a program that incorporates the MSIS-86 atmospheric model, the as-flown Space Shuttle trajectory, and solar activity parameters. Second, the oxygen atom fluence was estimated directly from Kapton film erosion. Third, ambient oxygen atom measurements were made using the quadrupole mass spectrometer on the EOIM-3 payload. Our best estimate of the oxygen atom fluence as of this writing is 2.3 +/- 0.3 x 10(exp 20) atoms/sq cm. Finally, results of post-flight X-ray photoelectron spectroscopy (XPS) surface analyses of selected samples indicate low levels of contamination on the payload surface.

Quantum self-organization and nuclear collectivities

NASA Astrophysics Data System (ADS)

Otsuka, T.; Tsunoda, Y.; Togashi, T.; Shimizu, N.; Abe, T.

2018-02-01

The quantum self-organization is introduced as one of the major underlying mechanisms of the quantum many-body systems. In the case of atomic nuclei as an example, two types of the motion of nucleons, single-particle states and collective modes, dominate the structure of the nucleus. The outcome of the collective mode is determined basically by the balance between the effect of the mode-driving force (e.g., quadrupole force for the ellipsoidal deformation) and the resistance power against it. The single-particle energies are one of the sources to produce such resistance power: a coherent collective motion is more hindered by larger gaps between relevant single particle states. Thus, the single-particle state and the collective mode are “enemies” each other. However, the nuclear forces are demonstrated to be rich enough so as to enhance relevant collective mode by reducing the resistance power by changing singleparticle energies for each eigenstate through monopole interactions. This will be verified with the concrete example taken from Zr isotopes. Thus, when the quantum self-organization occurs, single-particle energies can be self-organized, being enhanced by (i) two quantum liquids, e.g., protons and neutrons, (ii) two major force components, e.g., quadrupole interaction (to drive collective mode) and monopole interaction (to control resistance). In other words, atomic nuclei are not necessarily like simple rigid vases containing almost free nucleons, in contrast to the naïve Fermi liquid picture. Type II shell evolution is considered to be a simple visible case involving excitations across a (sub)magic gap. The quantum self-organization becomes more important in heavier nuclei where the number of active orbits and the number of active nucleons are larger. The quantum self-organization is a general phenomenon, and is expected to be found in other quantum systems.

Exploring the Angstrom Excursion of Au Nanoparticles Excited away from a Metal Surface by an Impulsive Acoustic Perturbation.

PubMed

Kim, Ji-Wan; Kovalenko, Oleksandr; Liu, Yu; Bigot, Jean-Yves

2016-12-27

We report the anharmonic angstrom dynamics of self-assembled Au nanoparticles (Au:NPs) away from a nickel surface on top of which they are coupled by their near-field interaction. The deformation and the oscillatory excursion away from the surface are induced by picosecond acoustic pulses and probed at the surface plasmon resonance with femtosecond laser pulses. The overall dynamics are due to an efficient transfer of translational momentum from the Ni surface to the Au:NPs, therefore avoiding usual thermal effects and energy redistribution among the electronic states. Two modes are clearly revealed by the oscillatory shift of the Au:NPs surface plasmon resonance-the quadrupole deformation mode due to the transient ellipsoid shape and the excursion mode when the Au:NPs bounce away from the surface. We find that, contrary to the quadrupole mode, the excursion mode is sensitive to the distance between Au:NPs and Ni. Importantly, the excursion dynamics display a nonsinusoidal motion that cannot be explained by a standard harmonic potential model. A detailed modeling of the dynamics using a Hamaker-type Lennard-Jones potential between two media is performed, showing that each Au:NPs coherently evolves in a nearly one-dimensional anharmonic potential with a total excursion of ∼1 Å. This excursion induces a shift of the surface plasmon resonance detectable because of the strong near-field interaction. This general method of observing the spatiotemporal dynamics with angstrom and picosecond resolutions can be directly transposed to many nanostructures or biosystems to reveal the interaction and contact mechanism with their surrounding medium while remaining in their fundamental electronic states.

Scissors Modes and Spin Excitations in Light Nuclei Including ΔN=2 Excitations: Behaviour of 8Be and 10Be

NASA Astrophysics Data System (ADS)

Fayache, M. S.; Sharma, S. Shelley; Zamick, L.

1996-10-01

Shell model calculations are performed for magnetic dipole excitations in8Be and10Be, first with a quadrupole-quadrupole interaction (Q·Q) and then with a realistic interaction. The calculations are performed both in a 0pspace and in a large space which includes all 2ℏωexcitations. In the 0pwithQ·Qwe have an analytic expression for the energies of all states. In this limit we find that in10Be theL=1S=0 scissors mode with isospinT=1 is degenerate with that ofT=2. By projection from an intrinsic state we can obtain simple expressions forB(M1) to the scissors modes in8Be and10Be. We plot cumulative sums for energy-weighted isovector orbital transitions fromJ=0+ground states to the 1+excited states. These have the structure of a low-energy plateau and a steep rise to a high-energy plateau. The relative magnitudes of these plateaux are discussed. By comparing8Be and10Be we find that contrary to the behaviour in heavy deformed nuclei,B(M1)orbitalis not proportional toB(E2). On the other hand, a sum rule which relatesB(M1) to the difference (B(E2)isoscalar-B(E2)isovector) succeeds in describing the difference in behaviours in the two nuclei. The results forQ·Qand the realistic interactions are compared, as are the results in the 0pspace and the large (0p+2ℏω) space. The Wigner supermultiplet scheme is a very useful guide in analyzing the shell model results.

Mass resolution of linear quadrupole ion traps with round rods.

PubMed

Douglas, D J; Konenkov, N V

2014-11-15

Auxiliary dipole excitation is widely used to eject ions from linear radio-frequency quadrupole ion traps for mass analysis. Linear quadrupoles are often constructed with round rod electrodes. The higher multipoles introduced to the electric potential by round rods might be expected to change the ion ejection process. We have therefore investigated the optimum ratio of rod radius, r, to field radius, r0, for excitation and ejection of ions. Trajectory calculations are used to determine the excitation contour, S(q), the fraction of ions ejected when trapped at q values close to the ejection (or excitation) q. Initial conditions are randomly selected from Gaussian distributions of the x and y coordinates and a thermal distribution of velocities. The N = 6 (12 pole) and N = 10 (20 pole) multipoles are added to the quadrupole potential. Peak shapes and resolution were calculated for ratios r/r0 from 1.09 to 1.20 with an excitation time of 1000 cycles of the trapping radio-frequency. Ratios r/r0 in the range 1.140 to 1.160 give the highest resolution and peaks with little tailing. Ratios outside this range give lower resolution and peaks with tails on either the low-mass side or the high-mass side of the peaks. This contrasts with the optimum ratio of 1.126-1.130 for a quadrupole mass filter operated conventionally at the tip of the first stability region. With the optimum geometry the resolution is 2.7 times greater than with an ideal quadrupole field. Adding only a 2.0% hexapole field to a quadrupole field increases the resolution by a factor of 1.6 compared with an ideal quadrupole field. Addition of a 2.0% octopole lowers resolution and degrades peak shape. With the optimum value of r/r0 , the resolution increases with the ejection time (measured in cycles of the trapping rf, n) approximately as R0.5 = 6.64n, in contrast to a pure quadrupole field where R0.5 = 1.94n. Adding weak nonlinear fields to a quadrupole field can improve the resolution with mass-selective ejection of ions by up to a factor of 2.7. The optimum ratio r/r0 is 1.14 to 1.16, which differs from the optimum ratio for a mass filter of 1.128-1.130. Copyright © 2014 John Wiley & Sons, Ltd.

Qualitative and quantitative analysis of poly(amidoamine) dendrimers in an aqueous matrix by liquid chromatography-electrospray ionization-hybrid quadrupole/time-of-flight mass spectrometry (LC-ESI-QTOF-MS).

PubMed

Uclés, A; Ulaszewska, M M; Hernando, M D; Ramos, M J; Herrera, S; García, E; Fernández-Alba, A R

2013-07-01

This work introduces a liquid chromatography-electrospray ionization-hybrid quadrupole/time-of-flight mass spectrometry (LC-ESI-QTOF-MS)-based method for qualitative and quantitative analysis of poly(amidoamine) (PAMAM) dendrimers of generations 0 to 3 in an aqueous matrix. The multiple charging of PAMAM dendrimers generated by means of ESI has provided key advantages in dendrimer identification by assignation of charge state through high resolution of isotopic clusters. Isotopic distribution in function of abundance of isotopes (12)C and (13)C yielded valuable and complementarity data for confident characterization. A mass accuracy below 3.8 ppm for the most abundant isotopes (diagnostic ions) provided unambiguous identification of PAMAM dendrimers. Validation of the LC-ESI-QTOF-MS method and matrix effect evaluation enabled reliable and reproducible quantification. The validation parameters, limits of quantification in the range of 0.012 to 1.73 μM, depending on the generation, good linear range (R > 0.996), repeatability (RSD < 13.4%), and reproducibility (RSD < 10.9%) demonstrated the suitability of the method for the quantification of dendrimers in aqueous matrices (water and wastewater). The added selectivity, achieved by multicharge phenomena, represents a clear advantage in screening aqueous mixtures due to the fact that the matrix had no significant effect on ionization, with what is evidenced by an absence of sensitivity loss in most generations of PAMAM dendrimers. Fig Liquid chromatography-electrospray ionization-hybrid quadrupole/time of flight mass spectrometry (LC-ESI-QTOF-MS) based method for qualitative and quantitative analysis of PAMAM dendrimers in aqueous matrix.

Measurements and analysis of dynamic effects in the LARP model quadrupole HQ02b during rapid discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorbi, Massimo; Ambrosio, Giorgio; Bajas, Hugo

This paper presents the analysis of some quench tests addressed to study the dynamic effects in the 1-m-long 120-mm-aperture Nb 3Sn quadrupole magnet, i.e., HQ02b, designed, fabricated, and tested by the LHC Accelerator Research Program. The magnet has a short sample gradient of 205 T/m at 1.9 K and a peak field of 14.2 T. The test campaign has been performed at CERN in April 2014. In the specific tests, which were dedicated to the measurements of the dynamic inductance of the magnet during the rapid current discharge for a quench, the protection heaters were activated only in some windings,more » in order to obtain the measure of the resistive and inductive voltages separately. The analysis of the results confirms a very low value of the dynamic inductance at the beginning of the discharge, which later approaches the nominal value. Indications of dynamic inductance variation were already found from the analysis of current decay during quenches in the previous magnets HQ02a and HQ02a2; however, with this dedicated test of HQ02b, a quantitative measurement and assessment has been possible. An analytical model using interfilament coupling current influence for the inductance lowering has been implemented in the quench calculation code QLASA, and the comparison with experimental data is given. In conclusion, the agreement of the model with the experimental results is very good and allows predicting more accurately the critical parameters in quench analysis (MIITs, hot spot temperature) for the MQXF Nb3Sn quadrupoles, which will be installed in the High Luminosity LHC.« less

Measurements and analysis of dynamic effects in the LARP model quadrupole HQ02b during rapid discharge

DOE PAGES

Sorbi, Massimo; Ambrosio, Giorgio; Bajas, Hugo; ...

2016-06-01

This paper presents the analysis of some quench tests addressed to study the dynamic effects in the 1-m-long 120-mm-aperture Nb 3Sn quadrupole magnet, i.e., HQ02b, designed, fabricated, and tested by the LHC Accelerator Research Program. The magnet has a short sample gradient of 205 T/m at 1.9 K and a peak field of 14.2 T. The test campaign has been performed at CERN in April 2014. In the specific tests, which were dedicated to the measurements of the dynamic inductance of the magnet during the rapid current discharge for a quench, the protection heaters were activated only in some windings,more » in order to obtain the measure of the resistive and inductive voltages separately. The analysis of the results confirms a very low value of the dynamic inductance at the beginning of the discharge, which later approaches the nominal value. Indications of dynamic inductance variation were already found from the analysis of current decay during quenches in the previous magnets HQ02a and HQ02a2; however, with this dedicated test of HQ02b, a quantitative measurement and assessment has been possible. An analytical model using interfilament coupling current influence for the inductance lowering has been implemented in the quench calculation code QLASA, and the comparison with experimental data is given. In conclusion, the agreement of the model with the experimental results is very good and allows predicting more accurately the critical parameters in quench analysis (MIITs, hot spot temperature) for the MQXF Nb3Sn quadrupoles, which will be installed in the High Luminosity LHC.« less

Design and fabrication of a basic mass analyzer and vacuum system

NASA Technical Reports Server (NTRS)

Judson, C. M.; Josias, C.; Lawrence, J. L., Jr.

1977-01-01

A two-inch hyperbolic rod quadrupole mass analyzer with a mass range of 400 to 200 amu and a sensitivity exceeding 100 packs per billion has been developed and tested. This analyzer is the basic hardware portion of a microprocessor-controlled quadrupole mass spectrometer for a Gas Analysis and Detection System (GADS). The development and testing of the hyperbolic-rod quadrupole mass spectrometer and associated hardware are described in detail.

Ellipsoidal universe can solve the cosmic microwave background quadrupole problem.

PubMed

Campanelli, L; Cea, P; Tedesco, L

2006-09-29

The recent 3 yr Wilkinson Microwave Anisotropy Probe data have confirmed the anomaly concerning the low quadrupole amplitude compared to the best-fit Lambda-cold dark matter prediction. We show that by allowing the large-scale spatial geometry of our universe to be plane symmetric with eccentricity at decoupling or order 10(-2), the quadrupole amplitude can be drastically reduced without affecting higher multipoles of the angular power spectrum of the temperature anisotropy.

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

NASA Astrophysics Data System (ADS)

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.

Geometry and mechanics of two-dimensional defects in amorphous materials

PubMed Central

Moshe, Michael; Levin, Ido; Aharoni, Hillel; Kupferman, Raz; Sharon, Eran

2015-01-01

We study the geometry of defects in amorphous materials and their elastic interactions. Defects are defined and characterized by deviations of the material’s intrinsic metric from a Euclidian metric. This characterization makes possible the identification of localized defects in amorphous materials, the formulation of a corresponding elastic problem, and its solution in various cases of physical interest. We present a multipole expansion that covers a large family of localized 2D defects. The dipole term, which represents a dislocation, is studied analytically and experimentally. Quadrupoles and higher multipoles correspond to fundamental strain-carrying entities. The interactions between those entities, as well as their interaction with external stress fields, are fundamental to the inelastic behavior of solids. We develop analytical tools to study those interactions. The model, methods, and results presented in this work are all relevant to the study of systems that involve a distribution of localized sources of strain. Examples are plasticity in amorphous materials and mechanical interactions between cells on a flexible substrate. PMID:26261331

Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.

1994-01-01

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole-dipole plus dipole-quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between the CO2 and Ar from previously published data, we calculate the theoretical line shape function and the corresponding absorption due to the nu(sub 3) band of CO2 in the frequency range 2400-2580 cm(exp -1) and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

Pentaerythritol Tetranitrate (PETN) Surveillance by HPLC-MS: Instrumental Parameters Development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harvey, C A; Meissner, R

Surveillance of PETN Homologs in the stockpile here at LLNL is currently carried out by high performance liquid chromatography (HPLC) with ultra violet (UV) detection. Identification of unknown chromatographic peaks with this detection scheme is severely limited. The design agency is aware of the limitations of this methodology and ordered this study to develop instrumental parameters for the use of a currently owned mass spectrometer (MS) as the detection system. The resulting procedure would be a ''drop-in'' replacement for the current surveillance method (ERD04-524). The addition of quadrupole mass spectrometry provides qualitative identification of PETN and its homologs (Petrin, DiPEHN,more » TriPEON, and TetraPEDN) using a LLNL generated database, while providing mass clues to the identity of unknown chromatographic peaks.« less

Study of hot thermally fissile nuclei using relativistic mean field theory

NASA Astrophysics Data System (ADS)

Quddus, Abdul; Naik, K. C.; Patra, S. K.

2018-07-01

We have studied the properties of hot 234,236U and 240Pu nuclei in the framework of relativistic mean field formalism. The recently developed FSUGarnet and IOPB-I parameter sets are implemented for the first time to deform nuclei at finite temperature. The results are compared with the well known NL3 set. The said isotopes are structurally important because of the thermally fissile nature of 233,235U and 239Pu as these nuclei (234,236U and 240Pu) are formed after the absorption of a thermal neutron, which undergoes fission. Here, we have evaluated the nuclear properties, such as shell correction energy, neutron-skin thickness, quadrupole and hexadecapole deformation parameters and asymmetry energy coefficient for these nuclei as a function of temperature.

Electron spin resonance for the detection of long-range spin nematic order

NASA Astrophysics Data System (ADS)

Furuya, Shunsuke C.; Momoi, Tsutomu

2018-03-01

Spin nematic phase is a quantum magnetic phase characterized by a quadrupolar order parameter. Since the quadrupole operators are directly coupled to neither the magnetic field nor the neutron, currently, it is an important issue to develop a method for detecting the long-range spin nematic order. In this paper, we propose that electron spin resonance (ESR) measurements enable us to detect the long-range spin nematic order. We show that the frequency of the paramagnetic resonance peak in the ESR spectrum is shifted by the ferroquadrupolar order parameter together with other quantities. The ferroquadrupolar order parameter is extractable from the angular dependence of the frequency shift. In contrast, the antiferroquadrupolar order parameter is usually invisible in the frequency shift. Instead, the long-range antiferroquadrupolar order yields a characteristic resonance peak in the ESR spectrum, which we call a magnon-pair resonance peak. This resonance corresponds to the excitation of the bound magnon pair at the wave vector k =0 . Reflecting the condensation of bound magnon pairs, the field dependence of the magnon-pair resonance frequency shows a singular upturn at the saturation field. Moreover, the intensity of the magnon-pair resonance peak shows a characteristic angular dependence and it vanishes when the magnetic field is parallel to one of the axes that diagonalize the weak anisotropic interactions. We confirm these general properties of the magnon-pair resonance peak in the spin nematic phase by studying an S =1 bilinear-biquadratic model on the square lattice in the linear flavor-wave approximation. In addition, we argue applications to the S =1/2 frustrated ferromagnets and also the S =1/2 orthogonal dimer spin system SrCu2(BO3)2, both of which are candidate materials of spin nematics. Our theory for the antiferroquadrupolar ordered phase is consistent with many features of the magnon-pair resonance peak experimentally observed in the low-magnetization regime of SrCu2(BO3)2.

23Na and 35/37Cl as NMR probes of growth and shape of sodium taurodeoxycholate micellar aggregates in the presence of NaCl.

PubMed

Asaro, Fioretta; Feruglio, Luigi; Galantini, Luciano; Nardelli, Alessia

2013-02-15

The growth of the aggregates of the dihydroxylated bile salt sodium taurodeoxycholate (NaTDC) upon NaCl addition and the involvement of the counterion were investigated by NMR spectroscopy of monoatomic ionic species. (23)Na T(1) values from 0.015, 0.100, and 0.200 mol kg(-1) NaTDC solutions in D(2)O, at variable NaCl content, proved to be sensitive to the transition from primary to secondary aggregates, which occurs in the former sample, and to intermicellar interaction. Some (79)Br NMR measurements were performed on a 0.100 mol kg(-1) NaTDC sample added by NaBr in place of NaCl for comparison purposes. The (23)Na, (35)Cl, and (37)Cl double quantum filtered (DQF) patterns, from the 0.100 mol kg(-1) NaTDC sample, and (23)Na ones also from the 0.200 mol kg(-1) NaTDC one, in the presence of 0.750 mol kg(-1) NaCl, are a clear manifestation of motional anisotropy. Moreover, the DQF spectra of (23)Na and (37)Cl, which possess close quadrupole moments, display a striking similarity. The DQF lineshapes were simulated exploiting the Scilab environment to obtain an estimate of the residual quadrupole splitting magnitude. These results support the description of NaTDC micelles as cylindrical aggregates, strongly interacting at high ionic strengths, and capable of association with added electrolytes. Copyright © 2012 Elsevier Inc. All rights reserved.

[Determination of hydroxyproline in liver tissue by hydrophilic interaction chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry].

PubMed

Liu, Wei; Qi, Shenglan; Xu, Ying; Xiao, Zhun; Fu, Yadong; Chen, Jiamei; Yang, Tao; Liu, Ping

2017-12-08

A method for the determination of hydroxyproline (Hyp) in liver tissue of mice by hydrophilic interaction chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry (HILIC-HRMS) was developed. The liver tissue samples of normal mice and liver fibrosis mice induced by carbon tetrachloride were hydrolyzed by concentrated hydrochloric acid. After filtrated and diluted by solution, the diluent was separated on an Hypersil GOLD HILIC column (100 mm×2.1 mm, 3 μm). Water-acetonitrile (28:72, v/v)were used as the mobile phases with isocratic elution. Finally, the target analytes were detected in positive model by HRMS equipped with an electrospray ionization source. The linear range of hydroxyproline was from 0.78 to 100.00 μg/L with the correlation coefficient ( R 2 ) of 0.9983. The limit of quantification was 0.78 μg/L. By detecting the spiked samples, the recoveries were in the range of 97.4%-100.9% with the relative standard deviations (RSDs) between 1.4% and 2.0%. In addition, comparison of the measurement results by this method and the chloramine T method was proceeded. It was found that the linear correlation between the two methods was very good, and the Pearson correlation coefficient was 0.927. And this method had simpler operation procedure and higher accuracy than chloramine T method. This method can be used for the quick determination of hydroxyproline in liver tissue samples.

Three-dimensional envelope instability in periodic focusing channels

NASA Astrophysics Data System (ADS)

Qiang, Ji

2018-03-01

The space-charge driven envelope instability can be of great danger in high intensity accelerators and was studied using a two-dimensional (2D) envelope model and three-dimensional (3D) macroparticle simulations before. In this paper, we study the instability for a bunched beam using a three-dimensional envelope model in a periodic solenoid and radio-frequency (rf) focusing channel and a periodic quadrupole and rf focusing channel. This study shows that when the transverse zero current phase advance is below 90 ° , the beam envelope can still become unstable if the longitudinal zero current phase advance is beyond 90 ° . For the transverse zero current phase advance beyond 90 ° , the instability stopband width becomes larger with the increase of the longitudinal focusing strength and even shows different structure from the 2D case when the longitudinal zero current phase advance is beyond 90 ° . Breaking the symmetry of two longitudinal focusing rf cavities and the symmetry between the horizontal focusing and the vertical focusing in the transverse plane in the periodic quadrupole and rf channel makes the instability stopband broader. This suggests that a more symmetric accelerator lattice design might help reduce the range of the envelope instability in parameter space.

Applicability of hybrid linear ion trap-high resolution mass spectrometry and quadrupole-linear ion trap-mass spectrometry for mycotoxin analysis in baby food.

PubMed

Rubert, Josep; James, Kevin J; Mañes, Jordi; Soler, Carla

2012-02-03

Recent developments in mass spectrometers have created a paradoxical situation; different mass spectrometers are available, each of them with their specific strengths and drawbacks. Hybrid instruments try to unify several advantages in one instrument. In this study two of wide-used hybrid instruments were compared: hybrid quadrupole-linear ion trap-mass spectrometry (QTRAP®) and the hybrid linear ion trap-high resolution mass spectrometry (LTQ-Orbitrap®). Both instruments were applied to detect the presence of 18 selected mycotoxins in baby food. Analytical parameters were validated according to 2002/657/CE. Limits of quantification (LOQs) obtained by QTRAP® instrument ranged from 0.45 to 45 μg kg⁻¹ while lower limits of quantification (LLOQs) values were obtained by LTQ-Orbitrap®: 7-70 μg kg⁻¹. The correlation coefficients (r) in both cases were upper than 0.989. These values highlighted that both instruments were complementary for the analysis of mycotoxin in baby food; while QTRAP® reached best sensitivity and selectivity, LTQ-Orbitrap® allowed the identification of non-target and unknowns compounds. Copyright © 2011 Elsevier B.V. All rights reserved.

Nuclear relaxation and critical fluctuations in membranes containing cholesterol

NASA Astrophysics Data System (ADS)

McConnell, Harden

2009-04-01

Nuclear resonance frequencies in bilayer membranes depend on lipid composition. Our calculations describe the combined effects of composition fluctuations and diffusion on nuclear relaxation near a miscibility critical point. Both tracer and gradient diffusion are included. The calculations involve correlation functions and a correlation length ξ =ξ0T/(T -Tc), where T -Tc is temperature above the critical temperature and ξ0 is a parameter of molecular length. Several correlation functions are examined, each of which is related in some degree to the Ising model correlation function. These correlation functions are used in the calculation of transverse deuterium relaxation rates in magic angle spinning and quadrupole echo experiments. The calculations are compared with experiments that report maxima in deuterium and proton nuclear relaxation rates at the critical temperature [Veatch et al., Proc. Nat. Acad. Sci. U.S.A. 104, 17650 (2007)]. One Ising-model-related correlation function yields a maximum 1/T2 relaxation rate at the critical temperature for both magic angle spinning and quadrupole echo experiments. The calculated rates at the critical temperature are close to the experimental rates. The rate maxima involve relatively rapid tracer diffusion in a static composition gradient over distances of up to 10-100 nm.

A graphical approach to radio frequency quadrupole design

NASA Astrophysics Data System (ADS)

Turemen, G.; Unel, G.; Yasatekin, B.

2015-07-01

The design of a radio frequency quadrupole, an important section of all ion accelerators, and the calculation of its beam dynamics properties can be achieved using the existing computational tools. These programs, originally designed in 1980s, show effects of aging in their user interfaces and in their output. The authors believe there is room for improvement in both design techniques using a graphical approach and in the amount of analytical calculations before going into CPU burning finite element analysis techniques. Additionally an emphasis on the graphical method of controlling the evolution of the relevant parameters using the drag-to-change paradigm is bound to be beneficial to the designer. A computer code, named DEMIRCI, has been written in C++ to demonstrate these ideas. This tool has been used in the design of Turkish Atomic Energy Authority (TAEK)'s 1.5 MeV proton beamline at Saraykoy Nuclear Research and Training Center (SANAEM). DEMIRCI starts with a simple analytical model, calculates the RFQ behavior and produces 3D design files that can be fed to a milling machine. The paper discusses the experience gained during design process of SANAEM Project Prometheus (SPP) RFQ and underlines some of DEMIRCI's capabilities.

Quantitative analysis of flavanones from citrus fruits by using mesoporous molecular sieve-based miniaturized solid phase extraction coupled to ultrahigh-performance liquid chromatography and quadrupole time-of-flight mass spectrometry.

PubMed

Cao, Wan; Ye, Li-Hong; Cao, Jun; Xu, Jing-Jing; Peng, Li-Qing; Zhu, Qiong-Yao; Zhang, Qian-Yun; Hu, Shuai-Shuai

2015-08-07

An analytical procedure based on miniaturized solid phase extraction (SPE) and ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry was developed and validated for determination of six flavanones in Citrus fruits. The mesoporous molecular sieve SBA-15 as a solid sorbent was characterised by Fourier transform-infrared spectroscopy and scanning electron microscopy. Additionally, compared with reported extraction techniques, the mesoporous SBA-15 based SPE method possessed the advantages of shorter analysis time and higher sensitivity. Furthermore, considering the different nature of the tested compounds, all of the parameters, including the SBA-15 amount, solution pH, elution solvent, and the sorbent type, were investigated in detail. Under the optimum condition, the instrumental detection and quantitation limits calculated were less than 4.26 and 14.29ngmL(-1), respectively. The recoveries obtained for all the analytes were ranging from 89.22% to 103.46%. The experimental results suggested that SBA-15 was a promising material for the purification and enrichment of target flavanones from complex citrus fruit samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Clustering fossil from primordial gravitational waves in anisotropic inflation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emami, Razieh; Firouzjahi, Hassan, E-mail: emami@ipm.ir, E-mail: firouz@ipm.ir

2015-10-01

Inflationary models can correlate small-scale density perturbations with the long-wavelength gravitational waves (GW) in the form of the Tensor-Scalar-Scalar (TSS) bispectrum. This correlation affects the mass-distribution in the Universe and leads to the off-diagonal correlations of the density field modes in the form of the quadrupole anisotropy. Interestingly, this effect survives even after the tensor mode decays when it re-enters the horizon, known as the fossil effect. As a result, the off-diagonal correlation function between different Fourier modes of the density fluctuations can be thought as a way to probe the large-scale GW and the mechanism of inflation behind themore » fossil effect. Models of single field slow roll inflation generically predict a very small quadrupole anisotropy in TSS while in models of multiple fields inflation this effect can be observable. Therefore this large scale quadrupole anisotropy can be thought as a spectroscopy for different inflationary models. In addition, in models of anisotropic inflation there exists quadrupole anisotropy in curvature perturbation power spectrum. Here we consider TSS in models of anisotropic inflation and show that the shape of quadrupole anisotropy is different than in single field models. In fact, in these models, quadrupole anisotropy is projected into the preferred direction and its amplitude is proportional to g{sub *} N{sub e} where N{sub e} is the number of e-folds and g{sub *} is the amplitude of quadrupole anisotropy in curvature perturbation power spectrum. We use this correlation function to estimate the large scale GW as well as the preferred direction and discuss the detectability of the signal in the galaxy surveys like Euclid and 21 cm surveys.« less

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm.

PubMed

Oberacher, Herbert; Pavlic, Marion; Libiseller, Kathrin; Schubert, Birthe; Sulyok, Michael; Schuhmacher, Rainer; Csaszar, Edina; Köfeler, Harald C

2009-04-01

A sophisticated matching algorithm developed for highly efficient identity search within tandem mass spectral libraries is presented. For the optimization of the search procedure a collection of 410 tandem mass spectra corresponding to 22 compounds was used. The spectra were acquired in three different laboratories on four different instruments. The following types of tandem mass spectrometric instruments were used: quadrupole-quadrupole-time-of-flight (QqTOF), quadrupole-quadrupole-linear ion trap (QqLIT), quadrupole-quadrupole-quadrupole (QqQ), and linear ion trap-Fourier transform ion cyclotron resonance mass spectrometer (LIT-FTICR). The obtained spectra were matched to an established MS/MS-spectral library that contained 3759 MS/MS-spectra corresponding to 402 different reference compounds. All 22 test compounds were part of the library. A dynamic intensity cut-off, the search for neutral losses, and optimization of the formula used to calculate the match probability were shown to significantly enhance the performance of the presented library search approach. With the aid of these features the average number of correct assignments was increased to 98%. For statistical evaluation of the match reliability the set of fragment ion spectra was extended with 300 spectra corresponding to 100 compounds not included in the reference library. Performance was checked with the aid of receiver operating characteristic (ROC) curves. Using the magnitude of the match probability as well as the precursor ion mass as benchmarks to rate the obtained top hit, overall correct classification of a compound being included or not included in the mass spectrometric library, was obtained in more than 95% of cases clearly indicating a high predictive accuracy of the established matching procedure. Copyright (c) 2009 John Wiley & Sons, Ltd.

Compound-Specific Chlorine Isotope Analysis of Tetrachloromethane and Trichloromethane by Gas Chromatography-Isotope Ratio Mass Spectrometry vs Gas Chromatography-Quadrupole Mass Spectrometry: Method Development and Evaluation of Precision and Trueness.

PubMed

Heckel, Benjamin; Rodríguez-Fernández, Diana; Torrentó, Clara; Meyer, Armin; Palau, Jordi; Domènech, Cristina; Rosell, Mònica; Soler, Albert; Hunkeler, Daniel; Elsner, Martin

2017-03-21

Compound-specific chlorine isotope analysis of tetrachloromethane (CCl 4 ) and trichloromethane (CHCl 3 ) was explored by both, gas chromatography-isotope ratio mass spectrometry (GC-IRMS) and GC-quadrupole MS (GC-qMS), where GC-qMS was validated in an interlaboratory comparison between Munich and Neuchâtel with the same type of commercial GC-qMS instrument. GC-IRMS measurements analyzed CCl isotopologue ions, whereas GC-qMS analyzed the isotopologue ions CCl 3 , CCl 2 , CCl (of CCl 4 ) and CHCl 3 , CHCl 2 , CHCl (of CHCl 3 ), respectively. Lowest amount dependence (good linearity) was obtained (i) in H-containing fragment ions where interference of 35 Cl- to 37 Cl-containing ions was avoided; (ii) with tuning parameters favoring one predominant rather than multiple fragment ions in the mass spectra. Optimized GC-qMS parameters (dwell time 70 ms, 2 most abundant ions) resulted in standard deviations of 0.2‰ (CHCl 3 ) and 0.4‰ (CCl 4 ), which are only about twice as large as 0.1‰ and 0.2‰ for GC-IRMS. To compare also the trueness of both methods and laboratories, samples from CCl 4 and CHCl 3 degradation experiments were analyzed and calibrated against isotopically different reference standards for both CCl 4 and CHCl 3 (two of each). Excellent agreement confirms that true results can be obtained by both methods provided that a consistent set of isotopically characterized reference materials is used.

Superlattice formation lifting degeneracy protected by nonsymmorphic symmetry through a metal-insulator transition in RuAs

NASA Astrophysics Data System (ADS)

Kotegawa, Hisashi; Takeda, Keiki; Kuwata, Yoshiki; Hayashi, Junichi; Tou, Hideki; Sugawara, Hitoshi; Sakurai, Takahiro; Ohta, Hitoshi; Harima, Hisatomo

2018-05-01

A single crystal of RuAs obtained with the Bi-flux method shows obvious successive metal-insulator transitions at TMI 1˜255 K and TMI 2˜195 K. The x-ray diffraction measurement reveals the formation of a superlattice of 3 ×3 ×3 of the original unit cell below TMI 2, accompanied by a change of the crystal system from the orthorhombic structure to the monoclinic one. Simple dimerization of the Ru ions is not seen in the ground state. The multiple As sites observed in the nuclear quadrupole resonance spectrum also demonstrate the formation of the superlattice in the ground state, which is clarified to be nonmagnetic. The divergence in 1 /T1 at TMI 1 shows that a symmetry lowering by the metal-insulator transition is accompanied by strong critical fluctuations of some degrees of freedom. Using the structural parameters in the insulating state, the first-principles calculation reproduces successfully the reasonable size of nuclear quadrupole frequencies νQ for the multiple As sites, ensuring the high validity of the structural parameters. The calculation also gives a remarkable suppression in the density of states near the Fermi level, although the gap opening is insufficient. A coupled modulation of the calculated Ru d -electron numbers and the crystal structure proposes the formation of a charge density wave in RuAs. Some lacking factors remain, but it is shown that a lifting of degeneracy protected by the nonsymmorphic symmetry through the superlattice formation is a key ingredient for the metal-insulator transition in RuAs.

Redshift-space distortions around voids

NASA Astrophysics Data System (ADS)

Cai, Yan-Chuan; Taylor, Andy; Peacock, John A.; Padilla, Nelson

2016-11-01

We have derived estimators for the linear growth rate of density fluctuations using the cross-correlation function (CCF) of voids and haloes in redshift space. In linear theory, this CCF contains only monopole and quadrupole terms. At scales greater than the void radius, linear theory is a good match to voids traced out by haloes; small-scale random velocities are unimportant at these radii, only tending to cause small and often negligible elongation of the CCF near its origin. By extracting the monopole and quadrupole from the CCF, we measure the linear growth rate without prior knowledge of the void profile or velocity dispersion. We recover the linear growth parameter β to 9 per cent precision from an effective volume of 3( h-1Gpc)3 using voids with radius >25 h-1Mpc. Smaller voids are predominantly sub-voids, which may be more sensitive to the random velocity dispersion; they introduce noise and do not help to improve measurements. Adding velocity dispersion as a free parameter allows us to use information at radii as small as half of the void radius. The precision on β is reduced to 5 per cent. Voids show diverse shapes in redshift space, and can appear either elongated or flattened along the line of sight. This can be explained by the competing amplitudes of the local density contrast, plus the radial velocity profile and its gradient. The distortion pattern is therefore determined solely by the void profile and is different for void-in-cloud and void-in-void. This diversity of redshift-space void morphology complicates measurements of the Alcock-Paczynski effect using voids.

A rapid and sensitive assay of perfluorocarboxylic acids in aqueous matrices by headspace solid phase microextraction-gas chromatography-triple quadrupole mass spectrometry.

PubMed

Monteleone, Marcello; Naccarato, Attilio; Sindona, Giovanni; Tagarelli, Antonio

2012-08-17

The work aims at developing a rapid and sensitive method for the quantification of perfluorocarboxylic acids in aqueous matrices. The proposed analytical approach is based on the use of solid phase microextraction in headspace mode after a fast derivatization of the carboxylate function by propylchloroformate/propanol mixture. Several fibers were evaluated and the optimization of the parameters affecting the SPME process was carried out using a central composite design. The optimum working conditions in terms of response values were achieved by performing analysis with CAR/PDMS fiber at room temperature, without addition of NaCl, with a sample volume of 6 ml and an extraction time of 10 min. Assay of PFCAs was performed by using a gas chromatography-triple quadrupole mass spectrometry (GC-QqQ MS) system in negative chemical ionization mode with ammonia as reagent gas. An overall evaluation of all analytical parameters shows that the proposed method provides satisfactory results. In particular, the observed accuracies, ranging from 84.4% to 116.8%, and the RSD values in the range 0.4% and 14.5% confirm the effectiveness of the developed protocol in the assay of PFCAs content in aqueous matrices. Moreover, LOD and LOQ values ranging from 0.08 to 6.6 ng l(-1) and from 0.17 to 14.3 ng l(-1), respectively, can be considered very satisfactory. None of the compounds were detected in six samples of river collected in Calabria. Copyright © 2012 Elsevier B.V. All rights reserved.

Electrostatic design and beam transport for a folded tandem electrostatic quadrupole accelerator facility for accelerator-based boron neutron capture therapy.

PubMed

Vento, V Thatar; Bergueiro, J; Cartelli, D; Valda, A A; Kreiner, A J

2011-12-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT), we discuss here the electrostatic design of the machine, including the accelerator tubes with electrostatic quadrupoles and the simulations for the transport and acceleration of a high intensity beam. Copyright © 2011 Elsevier Ltd. All rights reserved.

Higher order parametric excitation modes for spaceborne quadrupole mass spectrometers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gershman, D. J.; Block, B. P.; Rubin, M.

This paper describes a technique to significantly improve upon the mass peak shape and mass resolution of spaceborne quadrupole mass spectrometers (QMSs) through higher order auxiliary excitation of the quadrupole field. Using a novel multiresonant tank circuit, additional frequency components can be used to drive modulating voltages on the quadrupole rods in a practical manner, suitable for both improved commercial applications and spaceflight instruments. Auxiliary excitation at frequencies near twice that of the fundamental quadrupole RF frequency provides the advantages of previously studied parametric excitation techniques, but with the added benefit of increased sensed excitation amplitude dynamic range and themore » ability to operate voltage scan lines through the center of upper stability islands. Using a field programmable gate array, the amplitudes and frequencies of all QMS signals are digitally generated and managed, providing a robust and stable voltage control system. These techniques are experimentally verified through an interface with a commercial Pfeiffer QMG422 quadrupole rod system. When operating through the center of a stability island formed from higher order auxiliary excitation, approximately 50% and 400% improvements in 1% mass resolution and peak stability were measured, respectively, when compared with traditional QMS operation. Although tested with a circular rod system, the presented techniques have the potential to improve the performance of both circular and hyperbolic rod geometry QMS sensors.« less

Induced CMB quadrupole from pointing offsets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moss, Adam; Scott, Douglas; Sigurdson, Kris, E-mail: adammoss@phas.ubc.ca, E-mail: dscott@phas.ubc.ca, E-mail: krs@phas.ubc.ca

2011-01-01

Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between themore » pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y{sub 2,−1} component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.« less

An efficient and robust method for predicting helicopter rotor high-speed impulsive noise

NASA Technical Reports Server (NTRS)

Brentner, Kenneth S.

1996-01-01

A new formulation for the Ffowcs Williams-Hawkings quadrupole source, which is valid for a far-field in-plane observer, is presented. The far-field approximation is new and unique in that no further approximation of the quadrupole source strength is made and integrands with r(exp -2) and r(exp -3) dependence are retained. This paper focuses on the development of a retarded-time formulation in which time derivatives are analytically taken inside the integrals to avoid unnecessary computational work when the observer moves with the rotor. The new quadrupole formulation is similar to Farassat's thickness and loading formulation 1A. Quadrupole noise prediction is carried out in two parts: a preprocessing stage in which the previously computed flow field is integrated in the direction normal to the rotor disk, and a noise computation stage in which quadrupole surface integrals are evaluated for a particular observer position. Preliminary predictions for hover and forward flight agree well with experimental data. The method is robust and requires computer resources comparable to thickness and loading noise prediction.

Measurements of the microwave spectrum, Re-H bond length, and Re quadrupole coupling for HRe(CO)5

NASA Astrophysics Data System (ADS)

Kukolich, Stephen G.; Sickafoose, Shane M.

1993-11-01

Rotational transition frequencies for rhenium pentacarbonyl hydride were measured in the 4-10 GHz range using a Flygare-Balle type microwave spectrometer. The rotational constants and Re nuclear quadrupole coupling constants for the four isotopomers, (1) H187Re(CO)5, (2) H185Re(CO)5, (3) D187Re(CO)5, and (4) D185Re(CO)5, were obtained from the spectra. For the most common isotopomer, B(1)=818.5464(2) MHz and eq Q(187Re)=-900.13(3) MHz. The Re-H bond length (r0) determined by fitting the rotational constants is 1.80(1) Å. Although the Re atom is located at a site of near-octahedral symmetry, the quadrupole coupling is large due to the large Re nuclear moments. A 2.7% increase in Re quadrupole coupling was observed for D-substituted isotopomers, giving a rather large isotope effect on the quadrupole coupling. The Cax-Re-Ceq angle is 96(1)°, when all Re-C-O angles are constrained to 180°.

The Rhic Azimuth Quadrupole:. "perfect Liquid" or Gluonic Radiation?

NASA Astrophysics Data System (ADS)

Trainor, Thomas A.

Large elliptic flow at RHIC seems to indicate that ideal hydrodynamics provides a good description of Au-Au collisions, at least at the maximum RHIC energy. The medium formed has been interpreted as a nearly perfect (low-viscosity) liquid, and connections have been made to gravitation through string theory. Recently, claimed observations of large flow fluctuations comparable to participant eccentricity fluctuations seem to confirm the ideal hydro scenario. However, determination of the azimuth quadrupole with 2D angular autocorrelations, which accurately distinguish "flow" (quadrupole) from "nonflow" (minijets), contradicts conventional interpretations. Centrality trends may depend only on the initial parton geometry, and methods used to isolate flow fluctuations are sensitive instead mainly to minijet correlations. The results presented in this paper suggest that the azimuth quadrupole may be a manifestation of gluonic multipole radiation.

Test results of the LARP Nb$$_3$$Sn quadrupole HQ03a

DOE PAGES

DiMarco, J.; G. Ambrosio; Chlachidze, G.; ...

2016-03-09

The US LHC Accelerator Research Program (LARP) has been developingmore » $$Nb_3Sn$$ quadrupoles of progressively increasing performance for the high luminosity upgrade of the Large Hadron Collider. The 120 mm aperture High-field Quadrupole (HQ) models are the last step in the R&D phase supporting the development of the new IR Quadrupoles (MQXF). Three series of HQ coils were fabricated and assembled in a shell-based support structure, progressively optimizing the design and fabrication process. The final set of coils consistently applied the optimized design solutions, and was assembled in the HQ03a model. Furthermore, this paper reports a summary of the HQ03a test results, including training, mechanical performance, field quality and quench studies.« less

Dynamical quadrupole structure factor of frustrated ferromagnetic chain

NASA Astrophysics Data System (ADS)

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.

Nuclear Quadrupole Resonance (NQR) Method and Probe for Generating RF Magnetic Fields in Different Directions to Distinguish NQR from Acoustic Ringing Induced in a Sample

DTIC Science & Technology

1997-08-01

77,719 TITLE OF THE INVENTION NUCLEAR QUADRUPOLE RESONANCE ( NQR ) METHOD AND PROBE FOR GENERATING RF MAGNETIC FIELDS IN DIFFERENT DIRECTIONS TO...DISTINGUISH NQR FROM ACOUSTIC RINGING INDUCED IN A SAMPLE BACKGROUND OF THE INVENTION 1. Field of the Invention The present invention relates to a...nuclear quadrupole 15 resonance ( NQR ) method and probe for generating RF magnetic fields in different directions towards a sample. More specifically

γ-unstable nuclei in the sdg boson model

NASA Astrophysics Data System (ADS)

Kuyucak, S.; Lac, V.-S.; Morrison, I.; Barrett, B. R.

1991-07-01

Following the recent Pt(p, p‧) experiments which indicated the need for g bosons to reproduce the E4 data, we have extended the O(6) limit of the sd boson model to include g bosons. It is shown that a γ-unstable hamiltonian in the sdg model consisting of a quadrupole interaction and a g boson energy leads to results that are very similar to the O(6) limit. Deviations from the empirical energy spectrum that stem from the γ-unstable nature of the hamiltonian can be improved by including a consistent hexadecapole interaction which induces triaxiality. The same hexadecapole operator can also account for the strong E4 transitions. Applications are made to the Xe and Pt isotopes.

Where's water? The many binding sites of hydantoin.

PubMed

Gruet, Sébastien; Pérez, Cristóbal; Steber, Amanda L; Schnell, Melanie

2018-02-21

Prebiotic hydantoin and its complexes with one and two water molecules are investigated using high-resolution broadband rotational spectroscopy in the 2-8 GHz frequency range. The hyperfine structure due to the nuclear quadrupole coupling of the two 14 N atoms is analysed for the monomer and the complexes. This characteristic hyperfine structure will support a definitive assignment from low frequency radioastronomy data. Experiments with H 2 18 O provide accurate experimental information on the preferred binding sites of water, which are compared with quantum-chemically calculated coordinates. In the 2-water complexes, the water molecules bind to hydantoin as a dimer instead of individually, indicating the strong water-water interactions. This information provides first insight on how hydantoin interacts with water on the molecular level.

Open sd-shell nuclei from first principles

DOE PAGES

Jansen, Gustav R.; Signoracci, Angelo J.; Hagen, Gaute; ...

2016-07-05

We extend the ab initio coupled-cluster effective interaction (CCEI) method to open-shell nuclei with protons and neutrons in the valence space, and compute binding energies and excited states of isotopes of neon and magnesium. We employ a nucleon-nucleon and three-nucleon interaction from chiral effective field theory evolved to a lower cutoff via a similarity renormalization group transformation. We find good agreement with experiment for binding energies and spectra, while charge radii of neon isotopes are underestimated. For the deformed nuclei 20Ne and 24Mg we reproduce rotational bands and electric quadrupole transitions within uncertainties estimated from an effective field theory formore » deformed nuclei, thereby demonstrating that collective phenomena in sd-shell nuclei emerge from complex ab initio calculations.« less

Open sd-shell nuclei from first principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jansen, Gustav R.; Signoracci, Angelo J.; Hagen, Gaute

We extend the ab initio coupled-cluster effective interaction (CCEI) method to open-shell nuclei with protons and neutrons in the valence space, and compute binding energies and excited states of isotopes of neon and magnesium. We employ a nucleon-nucleon and three-nucleon interaction from chiral effective field theory evolved to a lower cutoff via a similarity renormalization group transformation. We find good agreement with experiment for binding energies and spectra, while charge radii of neon isotopes are underestimated. For the deformed nuclei 20Ne and 24Mg we reproduce rotational bands and electric quadrupole transitions within uncertainties estimated from an effective field theory formore » deformed nuclei, thereby demonstrating that collective phenomena in sd-shell nuclei emerge from complex ab initio calculations.« less

Second rank direction cosine spherical tensor operators and the nuclear electric quadrupole hyperfine structure Hamiltonian of rotating molecules

NASA Astrophysics Data System (ADS)

di Lauro, C.

2018-03-01

Transformations of vector or tensor properties from a space-fixed to a molecule-fixed axis system are often required in the study of rotating molecules. Spherical components λμ,ν of a first rank irreducible tensor can be obtained from the direction cosines between the two axis systems, and a second rank tensor with spherical components λμ,ν(2) can be built from the direct product λ × λ. It is shown that the treatment of the interaction between molecular rotation and the electric quadrupole of a nucleus is greatly simplified, if the coefficients in the axis-system transformation of the gradient of the electric field of the outer charges at the coupled nucleus are arranged as spherical components λμ,ν(2). Then the reduced matrix elements of the field gradient operators in a symmetric top eigenfunction basis, including their dependence on the molecule-fixed z-angular momentum component k, can be determined from the knowledge of those of λ(2) . The hyperfine structure Hamiltonian Hq is expressed as the sum of terms characterized each by a value of the molecule-fixed index ν, whose matrix elements obey the rule Δk = ν. Some of these terms may vanish because of molecular symmetry, and the specific cases of linear and symmetric top molecules, orthorhombic molecules, and molecules with symmetry lower than orthorhombic are considered. Each ν-term consists of a contraction of the rotational tensor λ(2) and the nuclear quadrupole tensor in the space-fixed frame, and its matrix elements in the rotation-nuclear spin coupled representation can be determined by the standard spherical tensor methods.

High energy proton induced radiation damage of rare earth permanent magnet quadrupoles

NASA Astrophysics Data System (ADS)

Schanz, M.; Endres, M.; Löwe, K.; Lienig, T.; Deppert, O.; Lang, P. M.; Varentsov, D.; Hoffmann, D. H. H.; Gutfleisch, O.

2017-12-01

Permanent magnet quadrupoles (PMQs) are an alternative to common electromagnetic quadrupoles especially for fixed rigidity beam transport scenarios at particle accelerators. Using those magnets for experimental setups can result in certain scenarios, in which a PMQ itself may be exposed to a large amount of primary and secondary particles with a broad energy spectrum, interacting with the magnetic material and affecting its magnetic properties. One specific scenario is proton microscopy, where a proton beam traverses an object and a collimator in which a part of the beam is scattered and deflected into PMQs used as part of a diagnostic system. During the commissioning of the PRIOR (Proton Microscope for Facility for Antiproton and Ion Research) high energy proton microscope facility prototype at Gesellschaft für Schwerionenforschung in 2014, a significant reduction of the image quality was observed which was partially attributed to the demagnetization of the used PMQ lenses and the corresponding decrease of the field quality. In order to study this phenomenon, Monte Carlo simulations were carried out and spare units manufactured from the same magnetic material—single wedges and a fully assembled PMQ module—were deliberately irradiated by a 3.6 GeV intense proton beam. The performed investigations have shown that in proton radiography applications the above described scattering may result in a high irradiation dose in the PMQ magnets. This did not only decrease the overall magnetic strength of the PMQs but also caused a significant degradation of the field quality of an assembled PMQ module by increasing the parasitic multipole field harmonics which effectively makes PMQs impractical for proton radiography applications or similar scenarios.

High energy proton induced radiation damage of rare earth permanent magnet quadrupoles.

PubMed

Schanz, M; Endres, M; Löwe, K; Lienig, T; Deppert, O; Lang, P M; Varentsov, D; Hoffmann, D H H; Gutfleisch, O

2017-12-01

Permanent magnet quadrupoles (PMQs) are an alternative to common electromagnetic quadrupoles especially for fixed rigidity beam transport scenarios at particle accelerators. Using those magnets for experimental setups can result in certain scenarios, in which a PMQ itself may be exposed to a large amount of primary and secondary particles with a broad energy spectrum, interacting with the magnetic material and affecting its magnetic properties. One specific scenario is proton microscopy, where a proton beam traverses an object and a collimator in which a part of the beam is scattered and deflected into PMQs used as part of a diagnostic system. During the commissioning of the PRIOR (Proton Microscope for Facility for Antiproton and Ion Research) high energy proton microscope facility prototype at Gesellschaft für Schwerionenforschung in 2014, a significant reduction of the image quality was observed which was partially attributed to the demagnetization of the used PMQ lenses and the corresponding decrease of the field quality. In order to study this phenomenon, Monte Carlo simulations were carried out and spare units manufactured from the same magnetic material-single wedges and a fully assembled PMQ module-were deliberately irradiated by a 3.6 GeV intense proton beam. The performed investigations have shown that in proton radiography applications the above described scattering may result in a high irradiation dose in the PMQ magnets. This did not only decrease the overall magnetic strength of the PMQs but also caused a significant degradation of the field quality of an assembled PMQ module by increasing the parasitic multipole field harmonics which effectively makes PMQs impractical for proton radiography applications or similar scenarios.

Structure of the Lightest Tin Isotopes

NASA Astrophysics Data System (ADS)

Morris, T. D.; Simonis, J.; Stroberg, S. R.; Stumpf, C.; Hagen, G.; Holt, J. D.; Jansen, G. R.; Papenbrock, T.; Roth, R.; Schwenk, A.

2018-04-01

We link the structure of nuclei around 100Sn, the heaviest doubly magic nucleus with equal neutron and proton numbers (N =Z =50 ), to nucleon-nucleon (N N ) and three-nucleon (N N N ) forces constrained by data of few-nucleon systems. Our results indicate that 100Sn is doubly magic, and we predict its quadrupole collectivity. We present precise computations of 101Sn based on three-particle-two-hole excitations of 100Sn, and we find that one interaction accurately reproduces the small splitting between the lowest Jπ=7 /2+ and 5 /2+ states.

Spin temperature concept verified by optical magnetometry of nuclear spins

NASA Astrophysics Data System (ADS)

Vladimirova, M.; Cronenberger, S.; Scalbert, D.; Ryzhov, I. I.; Zapasskii, V. S.; Kozlov, G. G.; Lemaître, A.; Kavokin, K. V.

2018-01-01

We develop a method of nonperturbative optical control over adiabatic remagnetization of the nuclear spin system and apply it to verify the spin temperature concept in GaAs microcavities. The nuclear spin system is shown to exactly follow the predictions of the spin temperature theory, despite the quadrupole interaction that was earlier reported to disrupt nuclear spin thermalization. These findings open a way for the deep cooling of nuclear spins in semiconductor structures, with the prospect of realizing nuclear spin-ordered states for high-fidelity spin-photon interfaces.

Mass spectra stimulated by O+ and Ar+ interacting with a surface.

NASA Technical Reports Server (NTRS)

Siegel, M. W.; Krauss, R. H.; Boring, J. W.

1972-01-01

Beams of O(+) and Ar(+) in the energy range from 100 to 300 eV were directed into an aperture in one face of a copper box. The mass spectrum from a similar aperture in an adjacent face was observed with the aid of a commercial RF quadrupole spectrometer. On the basis of the results obtained it is reported that O(+) beams at about 200 eV may be essentially lost after a few collisions with a surface, in agreement with similar conclusions about atomic oxygen at thermal energies.

Hyperfine-Structure-Induced Depolarization of Impulsively Aligned I2 Molecules

NASA Astrophysics Data System (ADS)

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.

Mössbauer Study of Hexavalent Iron Compounds

NASA Astrophysics Data System (ADS)

Dedushenko, S. K.; Perfiliev, Yu. D.; Goldfeld, M. G.; Tsapin, A. I.

2001-11-01

Six crystalline ferrates(VI): K3Na(FeO4)2, K2FeO4, Rb2FeO4, Cs2FeO4, K2Sr(FeO4)2 and BaFeO4, were studied by Mössbauer spectroscopy. Room-temperature spectra of potassium, rubidium and cesium ferrates are single lines, but spectra of barium, potassium strontium and potassium sodium ferrates show a presence of quadrupole interactions. Most of these salts display an antiferromagnetic transition with a Néel temperature within 2 to 8 K range.

E1 transitions from octupole vibration states

NASA Astrophysics Data System (ADS)

Cottle, P. D.

1993-04-01

Electric dipole moments are extracted from data for E1 transitions deexciting octupole vibration states in nineteen nuclei. The moments are then compared to values calculated using the droplet model prescription of Dorso, Myers, and Swiatecki. It is found that the E1 moments in quadrupole deformed nuclei can be reproduced with the droplet model using the same model parameters that reproduce atomic masses and fission barriers. This result supports the suggestion of Butler and Nazarewicz that single particle effects are usually much smaller than macroscopic effects in E1 transitions associated with octupole vibrations in reflection symmetric deformed nuclei.

Different 57Fe microenvironments in the nanosized iron cores in human liver ferritin and its pharmaceutical analogues on the basis of temperature dependent Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Oshtrakh, M. I.; Alenkina, I. V.; Klencsár, Z.; Kuzmann, E.; Semionkin, V. A.

2017-02-01

Mössbauer spectra of human liver ferritin and its pharmaceutical analogues Ferrum Lek and Maltofer® measured at various temperatures within the range of 295-83 K were fitted using five quadrupole doublets related to different 57Fe microenvironments in various layers/regions of the ferrihydrite and akaganéite iron cores. The observed anomalous temperature dependences of some Mössbauer parameters were considered as a result of low temperature structural rearrangements in different layers/regions in the iron core.

LIGO GW150914 and GW151226 gravitational wave detection and generalized gravitation theory (MOG)

NASA Astrophysics Data System (ADS)

Moffat, J. W.

2016-12-01

The nature of gravitational waves in a generalized gravitation theory is investigated. The linearized field equations and the metric tensor quadrupole moment power and the decrease in radius of an inspiralling binary system of two compact objects are derived. The generalized Kerr metric describing a spinning black hole is determined by its mass M and the spin parameter a = cS / GM2. The LIGO-Virgo collaboration data is fitted with smaller binary black hole masses in agreement with the current electromagnetic, observed X-ray binary upper bound for a black hole mass, M ≲ 10M⊙.

Energy acceptance and on momentum aperture optimization for the Sirius project

NASA Astrophysics Data System (ADS)

Dester, P. S.; Sá, F. H.; Liu, L.

2017-07-01

A fast objective function to calculate Touschek lifetime and on momentum aperture is essential to explore the vast search space of strength of quadrupole and sextupole families in Sirius. Touschek lifetime is estimated by using the energy aperture (dynamic and physical), RF system parameters and driving terms. Non-linear induced betatron oscillations are considered to determine the energy aperture. On momentum aperture is estimated by using a chaos indicator and resonance crossing considerations. Touschek lifetime and on momentum aperture constitute the objective function, which was used in a multi-objective genetic algorithm to perform an optimization for Sirius.

Comprehensive analysis of a multidimensional liquid chromatography mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight mass spectrometer: I. How much of the data is theoretically interpretable by search engines?

PubMed

Chalkley, Robert J; Baker, Peter R; Hansen, Kirk C; Medzihradszky, Katalin F; Allen, Nadia P; Rexach, Michael; Burlingame, Alma L

2005-08-01

An in-depth analysis of a multidimensional chromatography-mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight (QqTOF) geometry instrument was carried out. A total of 3269 CID spectra were acquired. Through manual verification of database search results and de novo interpretation of spectra 2368 spectra could be confidently determined as predicted tryptic peptides. A detailed analysis of the non-matching spectra was also carried out, highlighting what the non-matching spectra in a database search typically are composed of. The results of this comprehensive dataset study demonstrate that QqTOF instruments produce information-rich data of which a high percentage of the data is readily interpretable.

Tidal coupling of a Schwarzschild black hole and circularly orbiting moon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang Hua; Lovelace, Geoffrey

2005-12-15

We describe the possibility of using the laser interferometer space antenna (LISA) 's gravitational-wave observations to study, with high precision, the response of a massive central body (e.g. a black hole or a soliton star) to the tidal gravitational pull of an orbiting, compact, small-mass object (a white dwarf, neutron star, or small-mass black hole). Motivated by this LISA application, we use first-order perturbation theory to study tidal coupling for a special, idealized case: a Schwarzschild black hole of mass M, tidally perturbed by a 'moon' with mass {mu}<>M with orbital angularmore » velocity {omega}. We investigate the details of how the tidal deformation of the hole gives rise to an induced quadrupole moment I{sub ij} in the hole's external gravitational field at large radii, including the vicinity of the moon. In the limit that the moon is static, we find, in Schwarzschild coordinates and Regge-Wheeler gauge, the surprising result that there is no induced quadrupole moment. We show that this conclusion is gauge dependent and that the static, induced quadrupole moment for a black hole is inherently ambiguous, and we contrast this with an earlier result of Suen, which gave, in a very different gauge, a nonzero static induced quadrupole moment with a sign opposite to what one would get for a fluid central body. For the orbiting moon and the central Schwarzschild hole, we find (in agreement with a recent result of Poisson) a time-varying induced quadrupole moment that is proportional to the time derivative of the moon's tidal field, I{sub ij}=(32/45)M{sup 6}E{sub ij} and that therefore is out of phase with the tidal field by a spatial angle {pi}/4 and by a temporal phase shift {pi}/2. This induced quadrupole moment produces a gravitational force on the moon that reduces its orbital energy and angular momentum at the same rate as the moon's tidal field sends energy and angular momentum into the hole's horizon. As a partial analog of a result derived long ago by Hartle for a spinning hole and a static distant companion, we show that the orbiting moon's tidal field induces a tidal bulge on the hole's horizon, and that the rate of change of the horizon shape (i.e. the horizon shear) leads the perturbing tidal field at the horizon by an angle 4M{omega}. We prefer to avoid introducing an ingoing null geodesic, as Hartle did in his definition of the phase shift, because the moon is in the central body's near zone (b<<1/{omega}) and thus should interact with the horizon instantaneously, not causally. We discuss the implications of these results for LISA's future observations of tidal coupling, including the inappropriateness of using the concepts of tidal polarizability and tidal lag or lead angle, for the massive central body, when discussing LISA's observations.« less

Solid-state (127)I NMR and GIPAW DFT study of metal iodides and their hydrates: structure, symmetry, and higher-order quadrupole-induced effects.

PubMed

Widdifield, Cory M; Bryce, David L

2010-10-14

Central-transition (127)I solid-state nuclear magnetic resonance (SSNMR) spectra are presented for several anhydrous group 2 metal iodides (MgI(2), CaI(2), SrI(2), and BaI(2)), hydrates (BaI(2)·2H(2)O and SrI(2)·6H(2)O), and CdI(2) (4H polytype). Variable offset cumulative spectrum data acquisition coupled with echo pulse sequences and an 'ultrahigh' applied field of 21.1 T were usually suitable to acquire high-quality spectra. Spectral analysis revealed iodine-127 nuclear quadrupole coupling constants (C(Q)((127)I)) ranging in magnitude from 43.5 (CaI(2)) to 214 MHz (one site in SrI(2)). For very large C(Q), analytical second-order perturbation theory could not be used to reliably extract chemical shifts and a treatment which includes quadrupolar effects exactly was required (Bain, A. D. Mol. Phys. 2003, 101, 3163). Differences between second-order and exact modeling allowed us to observe 'higher-order' quadrupole-induced effects for the first time. This finding will have implications for the interpretation of SSNMR spectra of quadrupolar nuclei with large quadrupole moments. In favorable situations (i.e., C(Q)((127)I) < 120 MHz), measurements were also performed at 11.75 T which when combined with the 21.1 T data allowed us to measure iodine chemical shift (CS) tensor spans in the range from 60 (BaI(2)·2H(2)O) to 300 ppm (one site in BaI(2)). These measurements represent the first complete characterizations (i.e., electric field gradient and CS tensors as well as their relative orientation) of noncubic iodide sites using (127)I SSNMR. In select cases, the SSNMR data are supported with (127)I NQR measurements. We also summarize a variety of trends in the halogen SSNMR parameters for group 2 metal halides. Gauge-including projector-augmented wave DFT computations are employed to complement the experimental observations, to predict potential structures for the two hydrates, and to highlight the sensitivity of C(Q)((127)I) to minute structural changes, which has potential applications in NMR crystallography.

The importance of quadrupole sources in prediction of transonic tip speed propeller noise

NASA Technical Reports Server (NTRS)

Hanson, D. B.; Fink, M. R.

1978-01-01

A theoretical analysis is presented for the harmonic noise of high speed, open rotors. Far field acoustic radiation equations based on the Ffowcs-Williams/Hawkings theory are derived for a static rotor with thin blades and zero lift. Near the plane of rotation, the dominant sources are the volume displacement and the rho U(2) quadrupole, where u is the disturbance velocity component in the direction blade motion. These sources are compared in both the time domain and the frequency domain using two dimensional airfoil theories valid in the subsonic, transonic, and supersonic speed ranges. For nonlifting parabolic arc blades, the two sources are equally important at speeds between the section critical Mach number and a Mach number of one. However, for moderately subsonic or fully supersonic flow over thin blade sections, the quadrupole term is negligible. It is concluded for thin blades that significant quadrupole noise radiation is strictly a transonic phenomenon and that it can be suppressed with blade sweep. Noise calculations are presented for two rotors, one simulating a helicopter main rotor and the other a model propeller. For the latter, agreement with test data was substantially improved by including the quadrupole source term.

2n-emission from {sup 205}Pb* nucleus using clusterization approach at E{sub beam}∼14-20 MeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaur, Amandeep, E-mail: adeepkaur89@gmail.com; Sandhu, Kiran; Sharma, Manoj Kumar, E-mail: msharma@thapar.edu

2016-05-06

The dynamics involved in n-induced reaction with {sup 204}Pb target is analyzed and the decay of the composite system {sup 205}Pb* is governed within the collective clusterization approach of the Dynamical Cluster-decay Model (DCM). The experimental data for 2n-evaporation channel is available for neutron energy range of 14-20 MeV and is addressed by optimizing the only parameter of the model, the neck-length parameter (ΔR). The calculations are done by taking the quadrupole (β{sub 2}) deformations of the decaying fragments and the calculated 2n-emission cross-sections find nice agreement with available data. An effort is made to study the role of levelmore » density parameter in the decay of hot-rotating nucleus, and the mass dependence in level density parameter is exercised for the first time in DCM based calculations. It is to be noted that the effect of deformation, temperature and angular momentum etc. is studied to extract better description of the dynamics involved.« less

Gravitational effects from a series of IVS R&D VLBI-sessions with observations close to the Sun

NASA Astrophysics Data System (ADS)

Heinkelmann, R.; Soja, B.; Schuh, H.

2015-08-01

In 2011 and 2012 the IVS observed twelve VLBI research and development (R&D) sessions that include successful observations as angularly close as 3.9° from the heliocenter. Among others, one purpose of these IVS-R&D sessions was to achieve an improvement in the determination of the PPN parameter γ . Besides, by analyzing this specific set of IVS sessions, it was for the first time possible to measure the dispersive effect of the Solar corona with VLBI (Soja et al., 2014). In this work we assess the formal error of the γ-parameter and the contributions of the various terms to the partial derivative of the γ-parameter. Furthermore, we investigate the size of the gravitational delays caused by: (i) Solar monopole field at rest and with approximately linear translation, (ii) rotation of the Solar monopole field, (iii) Solar gravitational field quadrupole expansion, and (iv) Solar higher order term.

Dynamic phase transitions of the Blume-Emery-Griffiths model under an oscillating external magnetic field by the path probability method

NASA Astrophysics Data System (ADS)

Ertaş, Mehmet; Keskin, Mustafa

2015-03-01

By using the path probability method (PPM) with point distribution, we study the dynamic phase transitions (DPTs) in the Blume-Emery-Griffiths (BEG) model under an oscillating external magnetic field. The phases in the model are obtained by solving the dynamic equations for the average order parameters and a disordered phase, ordered phase and four mixed phases are found. We also investigate the thermal behavior of the dynamic order parameters to analyze the nature dynamic transitions as well as to obtain the DPT temperatures. The dynamic phase diagrams are presented in three different planes in which exhibit the dynamic tricritical point, double critical end point, critical end point, quadrupole point, triple point as well as the reentrant behavior, strongly depending on the values of the system parameters. We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory.

Mechanical performance of short models for MQXF, the Nb3Sn low-β quadrupole for the Hi-Lumi LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vallone, Giorgio; Ambrosio, Giorgio; Anderssen, Eric

In the framework of the Hi-Lumi LHC Project, CERN and U.S. LARP are jointly developing MQXF, a 150-mm aperture high-field Nb3Sn quadrupole for the upgrade of the inner triplet of the low-beta interaction regions. The magnet is supported by a shell-based structure, providing the preload by means of bladder-key technology and differential thermal contraction of the various components. Two short models have been produced using the same cross section currently considered for the final magnet. The structures were preliminarily tested replacing the superconducting coils with blocks of aluminum. This procedure allows for model validation and calibration, and also to setmore » performance goals for the real magnet. Strain gauges were used to monitor the behavior of the structure during assembly, cool down and also excitation in the case of the magnets. The various structures differ for the shell partitioning strategies adopted and for the presence of thick or thin laminations. This study presents the results obtained and discusses the mechanical performance of all the short models produced up to now.« less

Blue and white light emission in Tm3+ and Tm3+/Dy3+ doped zinc phosphate glasses upon UV light excitation

NASA Astrophysics Data System (ADS)

Meza-Rocha, A. N.; Speghini, A.; Lozada-Morales, R.; Caldiño, U.

2016-08-01

A spectroscopic study based on photoluminescence spectra and decay time profiles in Tm3+ and Tm3+/Dy3+ doped Zn(PO3)2 glasses is reported. The Tm3+ doped Zn(PO3)2 glass, upon 357 nm excitation, exhibits blue emission with CIE1931 chromaticity coordinates, x = 0.157 and y = 0.030, and color purity of about 96%. Under excitations at 348, 352 and 363 nm, which match with the emissions of AlGaN and GaN based LEDs, the Tm3+/Dy3+ co-doped Zn(PO3)2 glass displays natural white, bluish white and cool white overall emissions, with correlated color temperature values of 4523, 10700 and 7788 K, respectively, depending strongly on the excitation wavelength. The shortening of the Dy3+ emission decay time in presence of Tm3+ suggests that Dy3+→Tm3+ non-radiative energy transfer occurs. By using the Inokuti-Hirayama model, it is inferred that an electric quadrupole-quadrupole interaction might be the dominant mechanism involved in the energy transfer. The efficiency and probability of this energy transfer are 0.12 and 126.70 s-1, respectively.

Mechanical qualification of the support structure for MQXF, the Nb 3Sn low-β quadrupole for the high luminosity LHC

DOE PAGES

Juchno, M.; Ambrosio, G.; Anerella, M.; ...

2016-01-26

Within the scope of the High Luminosity LHC project, the collaboration between CERN and U.S. LARP is developing new low-β quadrupoles using the Nb 3Sn superconducting technology for the upgrade of the LHC interaction regions. The magnet support structure of the first short model was designed and two units were fabricated and tested at CERN and at LBNL. The structure provides the preload to the collars-coils subassembly by an arrangement of outer aluminum shells pre-tensioned with water-pressurized bladders. For the mechanical qualification of the structure and the assembly procedure, superconducting coils were replaced with solid aluminum “dummy coils”, the structuremore » was preloaded at room temperature, and then cooled-down to 77 K. Mechanical behavior of the magnet structure was monitored with the use of strain gauges installed on the aluminum shells, the dummy coils and the axial preload system. As a result, this paper reports on the outcome of the assembly and the cool-down tests with dummy coils, which were performed at CERN and at LBNL, and presents the strain gauge measurements compared to the 3D finite element model predictions.« less

Mechanical performance of short models for MQXF, the Nb3Sn low-β quadrupole for the Hi-Lumi LHC

DOE PAGES

Vallone, Giorgio; Ambrosio, Giorgio; Anderssen, Eric; ...

2016-12-23

In the framework of the Hi-Lumi LHC Project, CERN and U.S. LARP are jointly developing MQXF, a 150-mm aperture high-field Nb3Sn quadrupole for the upgrade of the inner triplet of the low-beta interaction regions. The magnet is supported by a shell-based structure, providing the preload by means of bladder-key technology and differential thermal contraction of the various components. Two short models have been produced using the same cross section currently considered for the final magnet. The structures were preliminarily tested replacing the superconducting coils with blocks of aluminum. This procedure allows for model validation and calibration, and also to setmore » performance goals for the real magnet. Strain gauges were used to monitor the behavior of the structure during assembly, cool down and also excitation in the case of the magnets. The various structures differ for the shell partitioning strategies adopted and for the presence of thick or thin laminations. This study presents the results obtained and discusses the mechanical performance of all the short models produced up to now.« less

Selective Isobar Suppression for Accelerator Mass Spectrometry and Radioactive Ion Beam Science

DOE Office of Scientific and Technical Information (OSTI.GOV)

Galindo-Uribarri, Alfredo; Havener, Charles C; Lewis, Thomas L.

2010-01-01

Several applications of AMS will benefit from pushing further the detection limits of AMS isotopes. A new method of selective isobar suppression by photodetachment in a radio-frequency quadrupole ion cooler is being developed at HRIBF with a two-fold purpose: (1) increasing the AMS sensitivity for certain isotopes of interest and (2) purifying radioactive ion beams for nuclear science. The potential of suppressing the 36S contaminants in a 36Cl beam using this method has been explored with stable S- and Cl- ions and a Nd:YLF laser. In the study, the laser beam was directed along the experiment's beam line and throughmore » a RF quadrupole ion cooler. Negative 32S and 35Cl ions produced by a Cs sputter ion source were focused into the ion cooler where they were slowed by collisions with He buffer gas; this increased the interaction time between the negative ion beam and the laser beam. As a result, suppression of S- by a factor of 3000 was obtained with about 2.5 W average laser power in the cooler while no reduction in Cl- current was observed.« less

Modeling Aerodynamically Generated Sound of Helicopter Rotors

NASA Technical Reports Server (NTRS)

Brentner, Kenneth S.; Farassat, F.

2002-01-01

A great deal of progress has been made in the modeling of aerodynamically generated sound of rotors over the past decade. Although the modeling effort has focused on helicopter main rotors, the theory is generally valid for a wide range of rotor configurations. The Ffowcs Williams Hawkings (FW-H) equation has been the foundation for much of the development. The monopole and dipole source terms of the FW-H equation account for the thickness and loading noise, respectively. Bladevortex-interaction noise and broadband noise are important types of loading noise, hence much research has been directed toward the accurate modeling of these noise mechanisms. Both subsonic and supersonic quadrupole noise formulations have been developed for the prediction of high-speed impulsive noise. In an effort to eliminate the need to compute the quadrupole contribution, the FW-H equation has also been utilized on permeable surfaces surrounding all physical noise sources. Comparisons of the Kirchhoff formulation for moving surfaces with the FW-H equation have shown that the Kirchhoff formulation for moving surfaces can give erroneous results for aeroacoustic problems. Finally, significant progress has been made incorporating the rotor noise models into full vehicle noise prediction tools.

Instrumentation status of the low-b magnet systems at the Large Hadron Collider (LHC)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Darve, C.; /Fermilab; Balle, C.

2011-05-01

The low-{beta} magnet systems are located in the Large Hadron Collider (LHC) insertion regions around the four interaction points. They are the key elements in the beams focusing/defocusing process allowing proton collisions at luminosity up to 10{sup 34}cm{sup -2}s{sup -1}. Those systems are a contribution of the US-LHC Accelerator project. The systems are mainly composed of the quadrupole magnets (triplets), the separation dipoles and their respective electrical feed-boxes (DFBX). The low-{beta} magnet systems operate in an environment of extreme radiation, high gradient magnetic field and high heat load to the cryogenic system due to the beam dynamic effect. Due tomore » the severe environment, the robustness of the diagnostics is primordial for the operation of the triplets. The hardware commissioning phase of the LHC was completed in February 2010. In the sake of a safer and more user-friendly operation, several consolidations and instrumentation modifications were implemented during this commissioning phase. This paper presents the instrumentation used to optimize the engineering process and operation of the final focusing/defocusing quadrupole magnets for the first years of operation.« less

CALCULATIONS WITH SPECTROSCOPIC ACCURACY: ENERGIES AND TRANSITION RATES IN THE NITROGEN ISOELECTRONIC SEQUENCE FROM Ar XII TO Zn XXIV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, K.; Dang, W.; Si, R.

2016-03-15

Combined relativistic configuration interaction and many-body perturbation calculations are performed for the 359 fine-structure levels of the 2s{sup 2} 2p{sup 3}, 2 s2p{sup 4}, 2p{sup 5}, 2s{sup 2} 2p{sup 2} 3l, 2 s2p{sup 3} 3l, 2p{sup 4} 3l, and 2s{sup 2} 2p{sup 2} 4l configurations in N-like ions from Ar xii to Zn xxiv. Complete and consistent data sets of energies, wavelengths, radiative rates, oscillator strengths, and line strengths for all possible electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among the 359 levels are given for each ion. The present work significantly increases the amount of accuratemore » data for ions in the nitrogen-like sequence, and the accuracy of the energy levels is high enough to enable the identification and interpretation of observed spectra involving the n = 3, 4 levels, for which experimental values are largely scarce. Meanwhile, the results should be of great help for modeling and diagnosing astrophysical and fusion plasmas.« less

Characterization of magnetic nanoparticles using programmed quadrupole magnetic field-flow fractionation

PubMed Central

Williams, P. Stephen; Carpino, Francesca; Zborowski, Maciej

2010-01-01

Quadrupole magnetic field-flow fractionation is a relatively new technique for the separation and characterization of magnetic nanoparticles. Magnetic nanoparticles are often of composite nature having a magnetic component, which may be a very finely divided material, and a polymeric or other material coating that incorporates this magnetic material and stabilizes the particles in suspension. There may be other components such as antibodies on the surface for specific binding to biological cells, or chemotherapeutic drugs for magnetic drug delivery. Magnetic field-flow fractionation (MgFFF) has the potential for determining the distribution of the magnetic material among the particles in a given sample. MgFFF differs from most other forms of field-flow fractionation in that the magnetic field that brings about particle separation induces magnetic dipole moments in the nanoparticles, and these potentially can interact with one another and perturb the separation. This aspect is examined in the present work. Samples of magnetic nanoparticles were analysed under different experimental conditions to determine the sensitivity of the method to variation of conditions. The results are shown to be consistent and insensitive to conditions, although magnetite content appeared to be somewhat higher than expected. PMID:20732895

Multiple shadows from distorted static black holes

NASA Astrophysics Data System (ADS)

Grover, Jai; Kunz, Jutta; Nedkova, Petya; Wittig, Alexander; Yazadjiev, Stoytcho

2018-04-01

We study the local shadow of the Schwarzschild black hole with a quadrupole distortion and the influence of the external gravitational field on the photon dynamics. The external matter sources modify the light ring structure and lead to the appearance of multiple shadow images. In the case of negative quadrupole moments we identify the most prominent mechanism causing multiple shadow formation. Furthermore, we obtain a condition under which this mechanism can be realized. This condition depends on the quadrupole moment, but also on the position of the observer and the celestial sphere.

The nuclear electric quadrupole moment of copper.

PubMed

Santiago, Régis Tadeu; Teodoro, Tiago Quevedo; Haiduke, Roberto Luiz Andrade

2014-06-21

The nuclear electric quadrupole moment (NQM) of the (63)Cu nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) with relativistic Dirac-Coulomb coupled cluster calculations of the electric field gradient (EFG). The data obtained at the highest level of calculation, DC-CCSD-T, from 14 linear molecules containing the copper atom give rise to an indicated NQM of -198(10) mbarn. Such result slightly deviates from the previously accepted standard value given by the muonic method, -220(15) mbarn, although the error bars are superimposed.

Profile of Polyphenol Compounds of Five Muscadine Grapes Cultivated in the United States and in Newly Adapted Locations in China

PubMed Central

Wei, Zheng; Luo, Jianming; Huang, Yu; Guo, Wenfeng; Zhang, Yali; Guan, Huan; Xu, Changmou; Lu, Jiang

2017-01-01

Polyphenol compositions and concentrations in skins and seeds of five muscadine grapes (cv. “Noble”, “Alachua”, “Carlos”, “Fry”, and “Granny Val”) cultivated in the United States (Tallahassee-Florida, TA-FL) and South China (Nanning-Guangxi, NN-GX and Pu’er-Yunnan, PE-YN) were investigated, using ultra performance liquid chromatography tandem triple quadrupole time-of-flight mass spectrometry (UPLC Triple TOF MS/MS). Fourteen ellagitannins were newly identified in these muscadine grapes. The grapes grown in NN-GX accumulated higher levels of ellagic acid, methyl brevifolin carboxylate, and ellagic acid glucoside in skins, and penta-O-galloyl-glucose in seeds. In PE-YN, more flavonols were detected in skins, and higher contents of flavan-3-ols, ellagic acid, and methyl gallate were identified in seeds. Abundant seed gallic acid and flavonols were found among the grapes grown in TA-FL. Based on principal component analysis (PCA) of 54 evaluation parameters, various cultivars grown in different locations could be grouped together and vice versa for the same cultivar cultivated in different regions. This is the result of the interaction between genotype and environmental conditions, which apparently influences the polyphenol synthesis and accumulation. PMID:28335440