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Sample records for low-energy neutron inelastic

  1. Neutron inelastic scattering measurements of low-energy phonons in the multiferroic BiFeO3

    SciTech Connect

    Schneeloch, John A.; Xu, Zhijun; Wen, Jinsheng; Gehring, P. M.; Stock, C.; Matsuda, Masaaki; Winn, Barry L.; Gu, Genda; Shapiro, Stephen M.; Birgeneau, R. J.; Ushiyama, T.; Yanagisawa, Y.; Tomioka, Y.; Ito, T.; Xu, Guangyong

    2015-02-10

    In this study, we present neutron inelastic scattering measurements of the low-energy phonons in single crystal BiFeO3. The dispersions of the three acoustic phonon modes (LA along [100], TA1 along [010], and TA2 along [110]) and two low-energy optic phonon modes (LO and TO1) have been mapped out between 300 and 700 K. Elastic constants are extracted from the phonon measurements. The energy linewidths of both TA phonons at the zone boundary clearly broaden when the system is warmed toward the magnetic ordering temperature TN=640 K. In conclusion, this suggests that the magnetic order and low-energy lattice dynamics in this multiferroic material are coupled.

  2. Neutron inelastic scattering measurements of low-energy phonons in the multiferroic BiFeO3

    DOE PAGESBeta

    Schneeloch, John A.; Xu, Zhijun; Wen, Jinsheng; Gehring, P. M.; Stock, C.; Matsuda, Masaaki; Winn, Barry L.; Gu, Genda; Shapiro, Stephen M.; Birgeneau, R. J.; et al

    2015-02-10

    In this study, we present neutron inelastic scattering measurements of the low-energy phonons in single crystal BiFeO3. The dispersions of the three acoustic phonon modes (LA along [100], TA1 along [010], and TA2 along [110]) and two low-energy optic phonon modes (LO and TO1) have been mapped out between 300 and 700 K. Elastic constants are extracted from the phonon measurements. The energy linewidths of both TA phonons at the zone boundary clearly broaden when the system is warmed toward the magnetic ordering temperature TN=640 K. In conclusion, this suggests that the magnetic order and low-energy lattice dynamics in thismore » multiferroic material are coupled.« less

  3. Low-energy dispersion of dynamic charge stripes in La1.75Sr0.25NiO4 observed with inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Zhong, Ruidan; Tranquada, John; Gu, Genda; Reznik, Dmitry; Winn, Barry

    The dynamic stripe correlations have been the subject of intense research, owing to the possible links with high-Tc superconductivity. In light of a recently published, direct observation of charge-stripe fluctuations in La2-xSrxNiO4 using inelastic neutron scattering, we did a follow-up neutron experiment on a x=0.25 sample to characterize the low-energy dispersion of these dynamic charge stripes using the HYSPEC instrument at the Spallation Neutron Source. The scattering signals are collected in the vicinity of a charge-order peak with a large wave vector (4.4, 3, 0), where dynamic spin-stripe correlations are negligible. Mapping the low-energy charge-stripe fluctuations in a wide temperature range, we observe a finite dispersion along the stripe-modulation direction at T >=160K where the charge stripes become disordered, while the steep dispersion in the orthogonal direction is not resolved. Work at BNL supported by Office of Basic Energy Sciences, US DOE, under Contract No. DE-SC00112704.

  4. Low-Energy Neutron Scattering from Heavy Nuclei

    NASA Astrophysics Data System (ADS)

    Horton, Christopher Adams

    Fast neutron inelastic scattering cross sections for the 44.9-keV level in ^{238} U and the 49.4-keV level in ^{232 }Th, and the elastic scattering cross sections of ^{209}Bi and ^{232}Th have been measured using the neutron time-of-flight technique, at an incident neutron energy of 127 keV at six scattering angles from 45 ^circ to 122.5^circ . Neutrons were produced by the ^7 Li(p,n)^7Be reaction. A detector using two photomultiplier tubes in fast coincidence was built for these low-energy measurements. The detector efficiency was determined by comparison with that of a ^{235}U fission chamber. Special attention was paid to determining the efficiency near the ^7Li(p,n)^7Be reaction threshold. The spectrum unfolding included the removal of tails on the peaks which were assumed to be exponential functions. The inelastic peaks were stripped from the elastic peaks by using the shape of the bismuth elastic peak as a standard. Corrections for neutron attenuation were computed analytically. Corrections for multiple scattering were determined using a Monte Carlo method. Results were normalized to the ^{238}U differential elastic scattering cross sections and angular distributions. The angular distributions and integrated cross sections are compared with the ENDF/B-VI evaluation cross sections and with results at similar energies from previous measurements. The use of iron neutron filters for measuring cross sections at low energies is also discussed.

  5. Inelastic pion scattering by /sup 13/C at low energies

    SciTech Connect

    Mitchell, J.H.

    1987-03-01

    Angular distributions for inelastically scattered pions were obtained for several states in /sup 13/C at an incident energy of 65 MeV. The data include results from both ..pi../sup +/ and ..pi../sup -/ measurements. In addition, ..pi../sup -/ measurements were made at T/sub ..pi../ = 50 MeV at one angle to give a two point fixed-q excitation function. The data are compared to theory and the data of others. As might be expected, medium corrections are shown to be considerably more important at low energies than at resonance. This is true for inelastic transitions of multipolarity 0,2 and 3. Parameters derived from an analysis of elastic pion scattering and SCX data also provide an adequate description of the inelastic transitions. The charge asymmetry in the cross sections for the 9/2/sup +/ state that was seen at resonance persists at these energies. This result is consistent with an impulse approximation treatment of the spin-flip amplitude. This is true even though the incoming energy of the pions is far below the range where the validity of an impulse treatment is expected. 65 refs., 45 figs.

  6. Materials and neutronic research at the Low Energy Neutron Source

    NASA Astrophysics Data System (ADS)

    Baxter, David V.

    2016-04-01

    In the decade since the Low Energy Neutron Source (LENS) at Indiana University Center for Exploration of Energy and Matter (CEEM) produced its first neutrons, the facility has made important contributions to the international neutron scattering community. LENS employs a 13MeV proton beam at up to 4kW beam power onto one of two Be targets to produce neutrons for research in fields ranging from radiation effects in electronics to studies of the structure of fluids confined in nanoporous materials. The neutron source design at the heart of LENS facilitates relatively rapid hands-on access to most of its components which provides a foundation for a research program in experimental neutronics and affords numerous opportunities for novel educational experiences. We describe in some detail a number of the unique capabilities of this facility.

  7. Inelastic neutron scattering studies on the incommensurate-to-commensurate transformation of low energy magnetic excitations in Fe1 + δ - y(Ni / Cu) y Te1 - x Sex

    NASA Astrophysics Data System (ADS)

    Xu, Zhijun; Wen, Jinsheng; Schneeloch, John; Zhao, Yang; Matsuda, Masaaki; Ku, Wei; Liu, Xuerong; Gu, Genda; Lee, D.-H.; Birgeneau, R. J.; Tranquada, J. M.; Xu, Guangyong

    2013-03-01

    We have performed a series of neutron scattering and magnetization measurements on Fe1 + δ - y(Ni / Cu) y Te1 - x Sex system to study the interplay between magnetism and superconductivity. Both non-superconducting and superconducting samples with Tc 8 ~15K are studied. The low energy magnetic excitations of all samples at T > >Tc consist of two incommensurate vertical columns. They change to a distinctly different U-shaped dispersion at T >Tc for the superconducting samples and the transition temperature depend on the composition. On the other hand, for all non-superconducting samples, there is no clear temperature dependence, and the low energy magnetic excitations remain two columns for temperatures down to 1.5 K. Work is supported by the Office of Basic Energy Sciences, DOE.

  8. Radial Flux Distribution of Low-Energy Neutrons.

    ERIC Educational Resources Information Center

    Higinbotham, J.

    1979-01-01

    Describes an experiment designed to illustrate the basic principle involved in the process of moderation of fast neutrons by water, and the monitoring of the low-energy neutron flux using indium as a probe. (GA)

  9. Low-energy electron inelastic mean free path in materials

    NASA Astrophysics Data System (ADS)

    Nguyen-Truong, Hieu T.

    2016-04-01

    We show that the dielectric approach can determine electron inelastic mean free paths in materials with an accuracy equivalent to those from first-principle calculations in the GW approximation of many-body theory. The present approach is an alternative for calculating the hot-electron lifetime, which is an important quantity in ultrafast electron dynamics. This approach, applied here to solid copper for electron energies below 100 eV, yields results in agreement with experimental data from time-resolved two-photon photoemission, angle-resolved photoelectron spectroscopy, and X-ray absorption fine structure measurements in the energy ranges 2-3.5, 10-15, and 60-100 eV, respectively.

  10. Inelastic Neutron Scattering from Glass Formers

    NASA Astrophysics Data System (ADS)

    Buchenau, U.

    Neutron spectra below and above the glass transition temperature show a pronounced difference between strong and fragile glass formers in Angell's fragility scheme. The strong anharmonic increase of the inelastic scattering with increasing temperature in fragile substances is absent in the strongest glass former SiO2. That difference is reflected in the temperature dependence of Brillouin sound velocities above the glass transition. Coherent inelastic neutron scattering data indicate a mixture of sound waves and local modes at the low frequency boson peak. A relation between the fragility and the temperature dependence of the transverse hypersound velocity at the glass temperature is derived.

  11. Strong flux of low-energy neutrons produced by thunderstorms.

    PubMed

    Gurevich, A V; Antonova, V P; Chubenko, A P; Karashtin, A N; Mitko, G G; Ptitsyn, M O; Ryabov, V A; Shepetov, A L; Shlyugaev, Yu V; Vildanova, L I; Zybin, K P

    2012-03-23

    We report here for the first time about the registration of an extraordinary high flux of low-energy neutrons generated during thunderstorms. The measured neutron count rate enhancements are directly connected with thunderstorm discharges. The low-energy neutron flux value obtained in our work is a challenge for the photonuclear channel of neutron generation in thunderstorm: the estimated value of the needed high-energy γ-ray flux is about 3 orders of magnitude higher than that one observed. PMID:22540588

  12. Neutron inelastic scattering by amino acids

    SciTech Connect

    Thaper, C.L.; Sinha, S.K.; Dasannacharya, B.A.

    1982-01-01

    Inelastic neutron scattering experiments on normal, N-deuterated glycine, normal and N-deuterated alanine, L-valine, L-tyrosine and, L-phenylalanine at 100 K, are reported. Coupling of the external modes to different hydrogens is discussed.

  13. Precise neutron inelastic cross section measurements

    SciTech Connect

    Negret, Alexandru

    2012-11-20

    The design of a new generation of nuclear reactors requires the development of a very precise neutron cross section database. Ongoing experiments performed at dedicated facilities aim to the measurement of such cross sections with an unprecedented uncertainty of the order of 5% or even smaller. We give an overview of such a facility: the Gamma Array for Inelastic Neutron Scattering (GAINS) installed at the GELINA neutron source of IRMM, Belgium. Some of the most challenging difficulties of the experimental approach are emphasized and recent results are shown.

  14. A New Polyethylene Scattering Law Determined Using Inelastic Neutron Scattering

    SciTech Connect

    Lavelle, Christopher M; Liu, C; Stone, Matthew B

    2013-01-01

    Monte Carlo neutron transport codes such as MCNP rely on accurate data for nuclear physics cross-sections to produce accurate results. At low energy, this takes the form of scattering laws based on the dynamic structure factor, S (Q, E). High density polyethylene (HDPE) is frequently employed as a neutron moderator at both high and low temperatures, however the only cross-sections available are for T =300 K, and the evaluation has not been updated in quite some time. In this paper we describe inelastic neutron scattering measurements on HDPE at 5 and 300 K which are used to improve the scattering law for HDPE. We describe the experimental methods, review some of the past HDPE scattering laws, and compare computations using these models to the measured S (Q, E). The total cross-section is compared to available data, and the treatment of the carbon secondary scatterer as a free gas is assessed. We also discuss the use of the measurement itself as a scattering law via the 1 phonon approximation. We show that a scattering law computed using a more detailed model for the Generalized Density of States (GDOS) compares more favorably to this experiment, suggesting that inelastic neutron scattering can play an important role in both the development and validation of new scattering laws for Monte Carlo work.

  15. Inelastic neutron scattering from zircon

    SciTech Connect

    Nipko, J.C.; Loong, C.K.

    1997-07-14

    A lattice dynamical investigation of zircon (ZrSiO{sub 4}) has been carried out to obtain a microscopic understanding of its thermodynamic properties, as well as to examine possible soft modes that may contribute to the phase transformation to scheelite type under high pressure. We have measured the neutron weighted phonon density of states of zircon from a polycrystalline sample. The neutron spectra reveal one-phonon excitations extending to 1130 cm{sup -1}, with phonon bands centered at 226, 298, 363, 540, 661, 726, 945, and 1081 cm{sup -1}. A quantitative analysis of the neutron results was carried out using a lattice dynamical rigid-ion model. 4 refs., 3 figs.

  16. Neutron Radii from Low Energy Pion Scattering.

    NASA Astrophysics Data System (ADS)

    Gyles, William

    Recent electron scattering measurements and muonic atom studies have allowed precise determinations of the charge distributions of nuclei. Measurements of the neutron distributions, however, have not progressed to this degree of sophistication, largely because of the uncertainties in the hadron-nucleus interaction. Charge distribution measurements provide good tests of nuclear structure calculations, but measurements of neutron distributions will provide independent constraints on these calculations and the potentials used. In this experiment, (pi)('-) differential cross section ratios were measured on pairs of isotopes (('36)S,('32)S), (('34)S,('32)S) with 50 MeV pions and (('26)Mg,('24)Mg) with 45 MeV pions. Absolute differential cross sections were also measured for ('32)S and ('24)Mg. Magnetic spectro -meters were used to collect the data. The cross section ratios were compared to optical model calcula-tions in which the parameters of a Fermi function representing the neutron distribution of the larger isotope of each pair were varied. The rms radius difference between the two isotopes producing the best fit was found to be independent of the details of the optical potential used, as long as the potential produced a fit to the absolute cross sections. The neutron distribution of the larger isotope was also rep-resented as a Fermi function modified by a sum of spherical Bessel functions, the coefficients of which were allowed to vary. The results for the rms radius differences were consistent with the Fermi function fits, except for ('34)S-('32)S, where the results differed by a full standard deviation. The rms radius differences found for the sulfur isotopes agreed with the results of shell-model calculations by Hodgson (Str82,Hod83). The extracted rms radius difference of the magnesium isotopes was one standard deviation less than the shell-model prediction. The results for the Fermi function fits, Fourier Bessell fits and the single particle potential (SPP

  17. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    PubMed

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter. PMID:23507905

  18. Parity violation in low-energy neutron-deuteron scattering

    SciTech Connect

    Song, Young-Ho; Gudkov, Vladimir; Lazauskas, Rimantas

    2011-01-15

    Parity-violating effects for low-energy elastic neutron deuteron scattering are calculated for Desplanques, Donoghue, and Holstein (DDH) and effective field theory types of weak potentials in a distorted-wave Born approximation, using realistic hadronic strong interaction wave functions, obtained by solving three-body Faddeev equations in configuration space. The resulting relation between physical observables and low-energy constants can be used to fix low-energy constants from experiments. Potential model dependencies of parity-violating effects are discussed.

  19. Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3.

    PubMed

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2016-06-14

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem by performing a merged-beam study of the He((3)S1)+CHF3 Penning ionization reaction in a range of collision energies E/kB = 0.5-120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of CHF3 makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results. PMID:27305989

  20. Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3

    NASA Astrophysics Data System (ADS)

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2016-06-01

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem by performing a merged-beam study of the He(3S1)+CHF3 Penning ionization reaction in a range of collision energies E/kB = 0.5-120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of CHF3 makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results.

  1. Cross sections for low-energy inelastic H+Li collisions

    SciTech Connect

    Belyaev, Andrey K.; Barklem, Paul S.

    2003-12-01

    We report calculations for the low-energy near-threshold inelastic collision cross sections between the Li(2s,2p,3s,3p)+H(1s) states. Results are obtained by solving the coupled-channel equations. Order-of-magnitude estimates for higher states have been made with the multichannel Landau-Zener model. Potentials and couplings from H. Croft et al [J. Phys. B 32, 81 (1999)] are employed. The calculated cross sections are much smaller than ones predicted by the classical Thomsom atom formula currently employed in astrophysics. This result is important for the interpretation of stellar spectra.

  2. Medical applications of neutron inelastic scattering

    NASA Astrophysics Data System (ADS)

    Kehayias, Joseph J.; Banuk-Waitekus, Anathea; Valtuena, Silvia; Sheahan, Charles A.

    1999-10-01

    A sealed, D-T, pulsed neutron generator is used for the in vivo measurement of body carbon and oxygen by neutron inelastic scattering. The generator is operated at 10 KHz, at a neutron output of about 2 X 107 n/s/4(pi) . Gamma ray spectra are collected with two B4Ge3O12 crystal detectors. The measurements are used to measure fat and lean content and distribution in the body, with minimal radiation exposure (0.08 mSv). When combined with other measurements (such as total body potassium), this whole body scanning device provides us with the `quality of lean mass', a measurable outcome of treatments designed to improve nutritional status and function. The method is used in studies of human nutrition and for assessing the efficacy of new anti-obesity and anti-cachexia pharmaceuticals.

  3. Development of multichannel low-energy neutron spectrometer.

    PubMed

    Arikawa, Y; Nagai, T; Abe, Y; Kojima, S; Sakata, S; Inoue, H; Utsugi, M; Iwasa, Y; Murata, T; Sarukura, N; Nakai, M; Shiraga, H; Fujioka, S; Azechi, H

    2014-11-01

    A multichannel low-energy neutron spectrometer for down-scattered neutron (DSN) measurements in inertial confinement fusion (ICF) experiments has been developed. Our compact-size 256-channel lithium-glass-scintillator-based spectrometer has been implemented and tested in ICF experiments with the GEKKO XII laser. We have performed time calibration of the 256-channel analog-to-digital convertor system used for DSN measurements via X-ray pulse signals. We have clearly observed the DD-primary fusion neutron signal and have successfully studied the detector's impulse response. Our detector is soon to be implemented in future ICF experiments. PMID:25430304

  4. Development of multichannel low-energy neutron spectrometer

    SciTech Connect

    Arikawa, Y. Nagai, T.; Abe, Y.; Kojima, S.; Sakata, S.; Inoue, H.; Utsugi, M.; Iwasa, Y.; Sarukura, N.; Nakai, M.; Shiraga, H.; Fujioka, S.; Azechi, H.; Murata, T.

    2014-11-15

    A multichannel low-energy neutron spectrometer for down-scattered neutron (DSN) measurements in inertial confinement fusion (ICF) experiments has been developed. Our compact-size 256-channel lithium-glass-scintillator-based spectrometer has been implemented and tested in ICF experiments with the GEKKO XII laser. We have performed time calibration of the 256-channel analog-to-digital convertor system used for DSN measurements via X-ray pulse signals. We have clearly observed the DD-primary fusion neutron signal and have successfully studied the detector's impulse response. Our detector is soon to be implemented in future ICF experiments.

  5. Direct evidence for inelastic neutron 'acceleration' by {sup 177}Lu{sup m}

    SciTech Connect

    Roig, O.; Meot, V.; Rosse, B.; Belier, G.; Daugas, J.-M.; Morel, P.; Letourneau, A.; Menelle, A.

    2011-06-15

    The inelastic neutron acceleration cross section on the long-lived metastable state of {sup 177}Lu has been measured using a direct method. High-energy neutrons have been detected using a specially designed setup placed on a cold neutron beam extracted from the ORPHEE reactor in Saclay. The 146{+-}19 b inelastic neutron acceleration cross section in the ORPHEE cold neutron flux confirms the high cross section for this process on the {sup 177}Lu{sup m} isomer. The deviation from the 258{+-}58 b previously published obtained for a Maxwellian neutron flux at a 323 K temperature could be explained by the presence of a low energy resonance. Resonance parameters are deduced and discussed.

  6. Nuclear inelastic scattering of heme proteins: from iron ligand vibrations to low energy protein modes

    NASA Astrophysics Data System (ADS)

    Moeser, Beate; Janoschka, Adam; Wolny, Juliusz A.; Filipov, Igor; Chumakov, Aleksandr I.; Walker, F. Ann; Schünemann, Volker

    2012-03-01

    The binding of the signal molecule nitric oxide (NO) to the NO transporter protein Nitrophorin 2 (NP2) from the bloodsucking insect Rhodnius prolixus has been characterized by Mössbauer spectroscopy as well as nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS). A striking feature of the vibrational spectrum obtained from NP2-NO is a vibration at 594 cm - 1. This mode is assigned to a Fe-NO stretching mode via simulation of the NIS data by density functional theory (DFT) coupled with molecular mechanics (MM) methods. At frequencies below 100 cm - 1 collective motions like heme doming occur which could explain spectroscopic features observed by NIS at these low energies.

  7. Study of Low Energy Electron Inelastic Scattering Mechanisms Using Spin Sensitive Techniques

    NASA Astrophysics Data System (ADS)

    Hsu, Hongbing

    1995-01-01

    Spin sensitive electron spectroscopies were used to study low energy electron inelastic scattering from metal surfaces and thin films. In these experiments, a beam of spin polarized electrons from a GaAs source is directed on the sample surface, and the spin polarization and intensity are measured as a function of energy loss and scattering angle by a Mott electron polarimeter coupled with a concentric hemispherical energy analyzer. Systematic studies of the angular dependence of inelastically scattered electrons were conducted on a Cu(100) surface, and Mo/Cu(100), non-magnetized Fe/Cu(100), and Co/Cu(100) films. The polarization and intensity of scattered electrons were measured as function of energy loss and scattering angle. Further studies were also conducted on Ag(100) surface and amorphous Cu/Ag(100) films. From the experimental results, the angular distributions of dipole and impact scattered electrons can be determined individually and both are found to peak in the specular scattering direction. Preliminary studies were conducted on magnetized Co/Cu(100) films. The spin dependent scattering intensity asymmetry was measured, with a clearly observable peak at energy loss of ~1 eV, which coincides with the band splitting. The polarizations of secondary electrons produced by an unpolarized primary beam were also measured. The polarizations can be related to the band polarization of magnetized cobalt films.

  8. Atomic data on inelastic processes in low-energy beryllium-hydrogen collisions

    NASA Astrophysics Data System (ADS)

    Yakovleva, Svetlana A.; Voronov, Yaroslav V.; Belyaev, Andrey K.

    2016-08-01

    Aims: Inelastic processes in low-energy Be + H and Be+ + H- collisions are treated for the states from the ground and up to the ionic state with the aim to provide rate coefficients needed for non-local thermodynamic equilibrium (non-LTE) modeling of beryllium spectra in cool stellar atmospheres. Methods: The electronic molecular structure is determined by using a recently proposed model quantum approach that is based on an asymptotic method. Nonadiabatic nuclear dynamics is treated by means of multichannel formulas, based on the Landau-Zener model for nonadiabatic transition probabilities. Results: The cross sections and the rate coefficients for inelastic processes in Be + H and Be+ + H- collisions are calculated for all transitions between 13 low-lying covalent states plus the ionic state. It is shown that the highest rate coefficient values correspond to the mutual neutralization processes with the final states Be(2s3s 1S), Be(2s3p 1,3P), Be(2s3d 3D). These processes, as well as some of the excitation, de-excitation and ion-pair formation processes, are likely to be important for non-LTE modeling. Tables A.1-A.10 are also available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/593/A27

  9. The Low Energy Neutron Source at Indiana University

    NASA Astrophysics Data System (ADS)

    Baxter, David

    2004-03-01

    The National Science Foundation has recently approved funding for construction of LENS (the Low Energy Neutron Source) at Indiana University and construction of this facility has begun. LENS represents a new paradigm for economically introducing neutron scattering into a university or industrial setting. Neutrons are produced in a long-pulse (1ms) mode through (p,n) reactions on a water-cooled Be target and supplied to three instrument beam lines. In this talk we will describe how LENS will use neutrons to fulfill its three-fold mission in education, materials research, and developing novel instrumentation. Of particular interest are the facility's ability to study cryogenic moderators at significantly lower temperatures than is possible at other facilities and the development of instruments that make use of the neutron spin to perform high-precision measurements of momentum transfer without significant collimation of the beam. The potential for these developments to expand significantly the range of problems amenable to exploration with neutron techniques will be discussed.

  10. Inelastic Neutron Scattering Study of Mn

    SciTech Connect

    Zhong, Y.; Sarachik, M.P.; Friedman, J.R.; Robinson, R.A.; Kelley, T.M.; Nakotte, H.; Christianson, A.C.; Trouw, F.; Aubin, S.M.J.; Hendrickson, D.N.

    1998-11-09

    The authors report zero-field inelastic neutron scattering experiments on a 14-gram deuterated sample of Mn{sub 12}-Acetate consisting of a large number of identical spin-10 magnetic clusters. Their resolution enables them to see a series of peaks corresponding to transitions between the anisotropy levels within the spin-10 manifold. A fit to the spin Hamiltonian H = {minus}DS{sub z}{sup 2} + {mu}{sub B}B{center_dot}g{center_dot}S-BS{sub z}{sup 4} + C(S{sub +}{sup 4} + S{sub {minus}}{sup 4}) yields an anisotropy constant D = (0.54 {+-} 0.02) K and a fourth-order diagonal anisotropy coefficient B = (1.2 {+-} 0.1) x 10{sup {minus}3}K. Unlike EPR measurements, their experiments do not require a magnetic field and yield parameters that do not require knowledge of the g-value.

  11. Inelastic neutron scattering in valence fluctuation compounds

    SciTech Connect

    Jon M Lawrence

    2011-02-15

    The valence fluctuation compounds are rare earth intermetallics where hybridization of the nearly-localized 4f electrons with the conduction electrons leads to incorporation of the 4f's into the itinerant states. This hybridization slows down the conduction electrons and hence gives them a heavy effective mass, justifying application of the term 'heavy Fermion' (HF) to these materials. During the project period, we grew large single crystals of several such compounds and measured their properties using both standard thermodynamic probes and state-of-the-art inelastic neutron scattering. We obtained three main results. For the intermediate valence compounds CePd{sub 3} and YbAl{sub 3}, we showed that the scattering of neutrons by the fluctuations of the 4f magnetic moment does not have the momentum dependence expected for the itinerant heavy mass state; rather, the scattering is more typical of a localized spin fluctuation. We believe that incoherent scattering localizes the excitation. For the heavy Fermion compound Ce(Ni{sub 0.935}Pd{sub 0.065}){sub 2}Ge{sub 2}, which sits at a T = 0 critical point for transformation into an antiferromagnetic (AF) phase, we showed that the scattering from the AF fluctuations does not exhibit any of the divergences that are expected at a phase transition. We speculate that alloy disorder profoundly suppresses the growth of the fluctuating AF regions, leading to short range clusters rather than regions of infinite size. Finally, we explored the applicability of key concepts used to describe the behavior of rare earth heavy Fermions to uranium based HF compounds where the 5f electrons are itinerant as opposed to localized. We found that scaling laws relating the spin fluctuation energy measured in neutron scattering to the low temperature specific heat and susceptibility are valid for the uranium compounds, once corrections are made for AF fluctuations; however, the degeneracy of the high temperature moment is smaller than expected

  12. In-situ soil carbon analysis using inelastic neutron scattering

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In situ soil carbon analysis using inelastic neutron scattering (INS) is based on the emission of 4.43 MeV gamma rays from carbon nuclei excited by fast neutrons. This in-situ method has excellent potential for easily measuring soil carbon since it does not require soil core sampling and processing ...

  13. Low energy excitations in iridates studied with Resonant Inelastic X-ray Scattering

    NASA Astrophysics Data System (ADS)

    Liu, Xuerong

    2013-03-01

    In the iridium oxides, the strong spin-orbit coupling (SOC) of the 5d iridium electrons entangles the orbital and spin degrees of freedom, providing opportunities for exotic magnetic states with highly anisotropic exchange interactions. At the same time, the spatially extended 5d electrons are expected to have much stronger hybridization with the oxygen 2p orbitals, comparing with that in 3d transition element compounds. Both factors make crystal symmetry and local environment crucial in determining the electronic and magnetic properties of the iridates. We present here our resonant inelastic X-ray scattering (RIXS) studies of a number of octahedrally coordinated iridates with special structures, exploring these effects. In particular, for the 1-D spin 1/2 chain compound, Sr3CuIrO6, the wavefunction of the hole in the t2g manifold was reconstructed based on the RIXS spectra. Our results show that it is significantly modified from the isotropic shape expected for Jeff = 1 / 2 states in the strong SOC limit, due to the distortion of the oxygen octahedral cage. This distortion is comparable to, or smaller than, that present in most iridates and thus this work emphasizes the importance of local symmetry for the iridate families. Further, the magnetic excitations of this material were also measured. A large gap of ~30 meV, was found, comparable to the magnetic dispersion bandwidth. This is in contrast to the gapless dispersion expected for linear chain with isotropic Heisenberg exchange interaction. We also studied Na4Ir3O8 which has a hyperkagome lattice, and is a candidate quantum spin liquid. Here, a low energy continuum is observed below the d-d excitations. Optical conductivity measurements performed on the same sample and polarization dependence of the RIXS signal suggest that these excitations are magnetic in origin, agreeing with the spin-liquid state prediction. The work at Brookhaven was supported by the U.S. Department of Energy, Division of Materials Science

  14. Band Structure of Helimagnons in MnSi Resolved by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kugler, M.; Brandl, G.; Waizner, J.; Janoschek, M.; Georgii, R.; Bauer, A.; Seemann, K.; Rosch, A.; Pfleiderer, C.; Böni, P.; Garst, M.

    2015-08-01

    A magnetic helix realizes a one-dimensional magnetic crystal with a period given by the pitch length λh . Its spin-wave excitations—the helimagnons—experience Bragg scattering off this periodicity, leading to gaps in the spectrum that inhibit their propagation along the pitch direction. Using high-resolution inelastic neutron scattering, the resulting band structure of helimagnons was resolved by preparing a single crystal of MnSi in a single magnetic-helix domain. At least five helimagnon bands could be identified that cover the crossover from flat bands at low energies with helimagnons basically localized along the pitch direction to dispersing bands at higher energies. In the low-energy limit, we find the helimagnon spectrum to be determined by a universal, parameter-free theory. Taking into account corrections to this low-energy theory, quantitative agreement is obtained in the entire energy range studied with the help of a single fitting parameter.

  15. Large volume high-pressure cell for inelastic neutron scattering.

    PubMed

    Wang, W; Sokolov, D A; Huxley, A D; Kamenev, K V

    2011-07-01

    Inelastic neutron scattering measurements typically require two orders of magnitude longer data collection times and larger sample sizes than neutron diffraction studies. Inelastic neutron scattering measurements on pressurised samples are particularly challenging since standard high-pressure apparatus restricts sample volume, attenuates the incident and scattered beams, and contributes background scattering. Here, we present the design of a large volume two-layered piston-cylinder pressure cell with optimised transmission for inelastic neutron scattering experiments. The design and the materials selected for the construction of the cell enable its safe use to a pressure of 1.8 GPa with a sample volume in excess of 400 mm(3). The design of the piston seal eliminates the need for a sample container, thus providing a larger sample volume and reduced absorption. The integrated electrical plug with a manganin pressure gauge offers an accurate measurement of pressure over the whole range of operational temperatures. The performance of the cell is demonstrated by an inelastic neutron scattering study of UGe(2). PMID:21806195

  16. Low-energy parameters of neutron-neutron interaction in the effective-range approximation

    SciTech Connect

    Babenko, V. A.; Petrov, N. M.

    2013-06-15

    The effect of the mass difference between the charged and neutral pions on the low-energy parameters of nucleon-nucleon interaction in the {sup 1}S{sub 0} state is studied in the effective-range approximation. On the basis of experimental values of the singlet parameters of neutron-proton scattering and the experimental value of the virtual-state energy for the neutron-neutron systemin the {sup 1}S{sub 0} state, the following values were obtained for the neutron-neutron scattering length and effective range: a{sub nn} = -16.59(117) fm and r{sub nn} = 2.83(11) fm. The calculated values agree well with present-day experimental results.

  17. Inelastic scattering measurements of low energy x-ray photons by organics, soil, water, wood, and metals

    NASA Astrophysics Data System (ADS)

    Paki Amouzou, P.; Gertsenshteyn, M.; Jannson, T.; Shnitser, P.; Savant, G.

    2006-08-01

    The angular distribution of the inelastic scattering of photons at low energies (<=80 KeV) has been measured in organic material, soil, rocks, wood, steel sheet, and water. The measurements have been performed under air inside an X-ray shield cabinet using X-rays tube as a photon source and a thermoelectrically cooled CdTe detector. Measurements have been taken for both single and combined materials. The contributions of inelastic scattering of photons for the lower Z material in a given configuration have been extracted. The measured signal is primarily Compton scattering. The measured inelastic scattering contributions were compared with the calculated inelastic scattering cross sections according to the Klein-Nishina theory, updated to include a practical energy distribution of an X-ray tube beam. Relatively good agreement was found for all targets under investigation. The slight discrepancy is attributed to photoelectric effect and sample configuration. Present results may act as a guide for optimization of X-ray imaging sensors and in particular of those based on lobster eye X-ray optics suitable for cargo inspection, improvised explosives detection, non-destructive evaluation, and medical imaging.

  18. Benchmarking the inelastic neutron scattering soil carbon method

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The herein described inelastic neutron scattering (INS) method of measuring soil carbon was based on a new procedure for extracting the net carbon signal (NCS) from the measured gamma spectra and determination of the average carbon weight percent (AvgCw%) in the upper soil layer (~8 cm). The NCS ext...

  19. Elastic and Inelastic Scattering of Neutrons using a CLYC array

    NASA Astrophysics Data System (ADS)

    Brown, Tristan; Doucet, E.; Chowdhury, P.; Lister, C. J.; Wilson, G. L.; Devlin, M.; Mosby, S.

    2015-10-01

    CLYC scintillators, which have dual neutron and gamma response, have recently ushered in the possibility of fast neutron spectroscopy without time-of-flight (TOF). A 16-element array of 1'' x 1'' 6Li-depleted CLYC crystals, where pulse-shape-discrimination is achieved via digital pulse processing, has been commissioned at UMass Lowell. In an experiment at LANSCE, high energy neutrons were used to bombard 56Fe and 238U targets, in order to measure elastic and inelastic neutron scattering cross sections as a function of energy and angle with the array. The array is placed very close to the targets for enhanced geometrical solid angles for scattered neutrons compared to standard neutron-TOF measurements. A pulse-height spectrum of scattered neutrons in the detectors is compared to the energy of the incident neutrons, which is measured via the TOF of the pulsed neutrons from the source to the detectors. Recoil corrections are necessary to combine the energy spectra from all the detectors to obtain angle-integrated elastic and inelastic cross-sections. The detection techniques, analysis procedures and results will be presented. Supported by NNSA-SSAA program through DOE Grant DE-NA00013008.

  20. High resolution measurement of neutron inelastic scattering cross-sections for 23Na

    NASA Astrophysics Data System (ADS)

    Rouki, C.; Archier, P.; Borcea, C.; De Saint Jean, C.; Drohé, J. C.; Kopecky, S.; Moens, A.; Nankov, N.; Negret, A.; Noguère, G.; Plompen, A. J. M.; Stanoiu, M.

    2012-04-01

    The neutron inelastic scattering cross-section of 23Na has been measured in response to the relevant request of the OECD-NEA High Priority Request List, which requires a target uncertainty of 4% in the energy range up to 1.35 MeV for the development of sodium-cooled fast reactors. The measurement was performed at the GELINA facility with the Gamma Array for Inelastic Neutron Scattering (GAINS), featuring eight high purity germanium detectors. The setup is installed at a 200 m flight path from the neutron source and provides high resolution measurements using the (n,n'γ)-technique. The sample was an 80 mm diameter metallic sodium disk prepared at IRMM. Transitions up to the seventh excited state were observed and the differential gamma cross-sections at 110° and 150° were measured, showing mostly isotropic gamma emission. From these the gamma production, level and inelastic cross-sections were determined for neutron energies up to 3838.9 keV. The results agree well with the existing data and the evaluated nuclear data libraries in the low energies, and provide new experimental points in the little studied region above 2 MeV. Following a detailed review of the methodology used for the gamma efficiency calibrations and flux normalization of GAINS data, an estimated total uncertainty of 2.2% was achieved for the inelastic cross-section integrals over the energy ranges 0.498-1.35 MeV and 1.35-2.23 MeV, meeting the required targets.

  1. Low energy neutron background in deep underground laboratories

    NASA Astrophysics Data System (ADS)

    Best, Andreas; Görres, Joachim; Junker, Matthias; Kratz, Karl-Ludwig; Laubenstein, Matthias; Long, Alexander; Nisi, Stefano; Smith, Karl; Wiescher, Michael

    2016-03-01

    The natural neutron background influences the maximum achievable sensitivity in most deep underground nuclear, astroparticle and double-beta decay physics experiments. Reliable neutron flux numbers are an important ingredient in the design of the shielding of new large-scale experiments as well as in the analysis of experimental data. Using a portable setup of 3He counters we measured the thermal neutron flux at the Kimballton Underground Research Facility, the Soudan Underground Laboratory, on the 4100 ft and the 4850 ft levels of the Sanford Underground Research Facility, at the Waste Isolation Pilot Plant and at the Gran Sasso National Laboratory. Absolute neutron fluxes at these laboratories are presented.

  2. Modern Techniques for Inelastic Thermal Neutron Scattering Analysis

    NASA Astrophysics Data System (ADS)

    Hawari, A. I.

    2014-04-01

    A predictive approach based on ab initio quantum mechanics and/or classical molecular dynamics simulations has been formulated to calculate the scattering law, S(κ⇀,ω), and the thermal neutron scattering cross sections of materials. In principle, these atomistic methods make it possible to generate the inelastic thermal neutron scattering cross sections of any material and to accurately reflect the physical conditions of the medium (i.e, temperature, pressure, etc.). In addition, the generated cross sections are free from assumptions such as the incoherent approximation of scattering theory and, in the case of solids, crystalline perfection. As a result, new and improved thermal neutron scattering data libraries have been generated for a variety of materials. Among these are materials used for reactor moderators and reflectors such as reactor-grade graphite and beryllium (including the coherent inelastic scattering component), silicon carbide, cold neutron media such as solid methane, and neutron beam filters such as sapphire and bismuth. Consequently, it is anticipated that the above approach will play a major role in providing the nuclear science and engineering community with its needs of thermal neutron scattering data especially when considering new materials where experimental information may be scarce or nonexistent.

  3. Lattice dynamics in copper indium diselenide by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Derollez, P.; Fouret, R.; Laamyem, A.; Hennion, B.; Gonzalez, J.

    1999-05-01

    The phonon dispersion curves along the [100] and [001] directions of CuInSe2 have been measured by inelastic neutron scattering. The neutron measurements reveal the uncertainty of optical measurements because of the large absorption of this material. The lattice dynamics is analysed with a rigid ion model: Born-von Karman short range interactions associated with long range electrostatic forces. The calculated dispersion curves are in good agreement with the experiment. The atomic displacements associated with each vibrational mode are used to discuss the optical phonons. The obtained results provide a strong experimental basis from which we can validate the ab initio methods.

  4. Collective microdynamics of liquid lithium: An inelastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Blagoveshchenskiĭ, N. M.; Novikov, A. G.; Savostin, V. V.

    2010-05-01

    A portion of the dispersion curve for collective modes in liquid lithium has been constructed from experimental data on inelastic scattering of slow neutrons obtained on the DIN-2PI neutron spectrometer (IBR-2 reactor, Joint Institute for Nuclear Research, Dubna, Russia). Measurements have been performed at a temperature of 500 K ( T m (Li) = 453.7 K). The coherent scattering component has been separated from the experimental spectra and analyzed. Information on the characteristics of collective excitations in liquid lithium has been derived.

  5. Scoping studies - photon and low energy neutron interrogation

    SciTech Connect

    Becker, G.; Harker, Y.; Jones, J.; Harmon, F.

    1997-11-01

    High energy photon interrogation of waste containers, with the aim of producing photo nuclear reactions, in specific materials, holds the potential of good penetration and rapid analysis. Compact high energy ({le} 10 MeV) photon sources in the form of electron linacs producing bremstrahlung radiation are readily available. Work with the Varitron variable energy accelerator at ISU will be described. Advantages and limitations of the technique will be discussed. Using positive ion induced neutron producing reactions, it is possible to generate neutrons in a specific energy range. By this means, variable penetration and specific reactions can be excited in the assayed material. Examples using the {sup 3}H(p,n) and {sup 7}Li(p,n) reactions as neutron sources will be discussed. 4 refs., 7 figs.

  6. Ab initio cross sections for low-energy inelastic H+Na collisions

    NASA Astrophysics Data System (ADS)

    Belyaev, A. K.; Grosser, J.; Hahne, J.; Menzel, T.

    1999-09-01

    We report ab initio results for the integral cross section of the process H+Na(3s)-->H+Na(3p) for collision energies from the threshold (2.1 eV) to 600 eV. We achieve a reasonable agreement with the experimental data, which are available for energies above 10 eV. The main contributions to the cross section come from a rotational coupling mechanism in the NaH triplet molecular system and from a curve-crossing mechanism in the singlet system. At very low energy (2.1-2.4 eV), the process is governed by a centrifugal barrier in the exit channel leading to orbital resonances. The Landau-Zener model provides a reasonable qualitative description of the radial coupling mechanism at high energies, but fails below 10 eV.

  7. Numerical simulations for width fluctuations in compound elastic and inelastic scattering at low energies

    SciTech Connect

    Kawano, Toshihiko; Talou, Patrick

    2012-09-18

    The statistical theories - the Hauser-Feshbach model with the width fluctuation correction - play a central role in studying nuclear reactions in the fast energy region, hence the statistical model codes are essential for the nuclear data evaluations nowadays. In this paper, we revisit issues regarding the statistical model calculations in the fast energy range, such as the inclusion of the direct channels, and the energy averaged cross sections using different statistical assumptions. Although they have been discussed for a long time, we need more precise quantitative investigations to understand uncertainties coming from the models deficiencies in the fast energy range. For example, the partition of compound formation cross section into the elastic and inelastic channels depends on the elastic enhancement factor calculated from the statistical models. In addition, unitarity of S-matrix constrains this partition when the direct reactions are involved. Practically some simple assumptions, which many nuclear reaction model codes adopt, may work reasonably for the nuclear data evaluations. However, the uncertainties on the evaluated cross sections cannot go lower than the model uncertainty itself. We perform numerical simulations by generating the resonances using the R-matrix theory, and compare the energy (ensemble) averaged cross sections with the statistical theories, such as the theories of Moldauer, HRTW (Hofmann, Richert, Tepel, and Weidenmueller), KKM (Kawai-Kerman-McVoy), and GOE (Gaussian orthogonal ensemble).

  8. Low-Energy Excitations in the Second LL: Fundamental Insights from Inelastic Light Scattering

    NASA Astrophysics Data System (ADS)

    Wurstbauer, Ursula; Pinczuk, Aron; Levy, Antonio L.; Watson, John; Mondal, Sumit; Manfra, Michael J.; West, Ken; Pfeiffer, Loren

    2014-03-01

    The competition between quantum phases that dictates the physics in the second Landau level (SLL) results in striking phenomena. Our work explores this fascinating interaction physics by measurements of low-lying neutral excitation modes in the SLL from resonant inelastic light scattering experiments. We focus here on the marked differences of the low-lying collective excitation spectra of the even-denominator state at ν=5/2 with those in the range 5/2> ν>2. Filling factor 5/2 is characterized by the presence of gapped modes, a spin mode exactly at EZ and the absence of a continuum of low-lying excitations. In contrast, a continuum of low-lying excitations and gapped modes are coexistent at ν=2+1/3, 2+3/8 and 2+2/5 and the spin-modes appear significantly below EZ. All observed modes weakens with smallest variations in filling factor substantiating the transition from an incompressible quantum Hall fluid to compressible states. Supported by NSF and AvH.

  9. Neutron-fragment and Neutron-neutron Correlations in Low-energy Fission

    NASA Astrophysics Data System (ADS)

    Lestone, J. P.

    2016-01-01

    A computational method has been developed to simulate neutron emission from thermal-neutron induced fission of 235U and from spontaneous fission of 252Cf. Measured pre-emission mass-yield curves, average total kinetic energies and their variances, both as functions of mass split, are used to obtain a representation of the distribution of fragment velocities. Measured average neutron multiplicities as a function of mass split and their dependence on total kinetic energy are used. Simulations can be made to reproduce measured factorial moments of neutron-multiplicity distributions with only minor empirical adjustments to some experimental inputs. The neutron-emission spectra in the rest-frame of the fragments are highly constrained by ENDF/B-VII.1 prompt-fission neutron-spectra evaluations. The n-f correlation measurements of Vorobyev et al. (2010) are consistent with predictions where all neutrons are assumed to be evaporated isotropically from the rest frame of fully accelerated fragments. Measured n-f and n-n correlations of others are a little weaker than the predictions presented here. These weaker correlations could be used to infer a weak scission-neutron source. However, the effect of neutron scattering on the experimental results must be studied in detail before moving away from a null hypothesis that all neutrons are evaporated from the fragments.

  10. Inelastic neutron scattering studies of novel quantum magnets

    NASA Astrophysics Data System (ADS)

    Plumb, Kemp W.

    Inelastic neutron scattering was used to study the magnetic excitation spectrum of three quantum magnets: (i) the double perovskite Ba2FeReO 6; (ii) the two-dimensional square lattice Heisenberg antiferromagnet Sr2CuO2Cl2; and (iii) the quasi-two-dimensional frustrated two-leg ladder BiCu2PO6. We have conducted inelastic neutron scattering measurements on powder samples of the double perovskite compound Ba2FeReO6. The measurements revealed two well defined dispersing spin wave modes. No excitation gap was observable and the spectrum can be explained with a local moment model incorporating the interactions of Fe spins with spin-orbital locked degrees of freedom on the Re site. The results reveal that both significant electronic correlations and spin-orbit coupling on the Re site play a significant role in the spin dynamics of Ba2FeReO6. High resolution neutron scattering measurements of magnetic excitations in the parent cuprate Sr2CuO2Cl2 reveal a significant dispersion and momentum dependent damping of the zone boundary magnons. We directly compare our measurements with previous resonant inelastic x-ray scattering measurements and find a ~25 meV discrepancy between the two techniques for the measured zone boundary energy at (1/2, 0). The deviations are greatest precisely in the region of phase space where the magnon damping is strongest. This comparison shows that the inelastic x-ray spectrum must contain significant contributions from higher energy excitations not previously considered. Our measurements demonstrate that the high energy continuum of magnetic fluctuations is a ubiquitous feature of the magnetic spectrum among insulating monolayer cuprates, and that these excitations couple to both inelastic neutron and light scattering. A comprehensive series of inelastic neutron scattering measurements was used to investigate spin excitations in the frustrated two-leg ladder compound BiCu2PO6. The measurements revealed six branches of steeply dispersing triplon

  11. Neutron Inelastic Scattering Mechanism and Measurement of Neutron Asymmetry Using Time of Flight Technique

    NASA Astrophysics Data System (ADS)

    Al Azzawe, A. J. M.

    2007-02-01

    Inelastic scattering is an essential reaction for other nuclear reactions to detect the optical model and compound nucleus formation within the range of (0.4- 5.0) MeV neutron incident energy by using time of flight technique. The time of flight system (TOFS) installed on the horizontal channel reactor RRA has been used to measure the asymmetry of scattered fast neutrons, when data acquisition and system control were recorded event by event by HP — computer via CAMAC system. Eight NE 213 neutron counters were used in order to detect neutron inelastic scattering in the forward direction (4 neutron counters at 0° angle) and in the backward direction (4 neutron counters at 180° angle) to measure the asymmetry of fast neutron. Each neutron counter was 50cm in length and 8cm in diameter, viewed by two (58 — DVP) photomultiplier tubes. The contribution of direct interaction to the compound nucleus formation was deduced from the asymmetry in the neutron detection at the same direction of these eight neutron counters. A time resolution of 8.2 ns between the eight neutron counters and one of the two Ge(Li) detectors has been obtained.

  12. The interpretation of polycrystalline coherent inelastic neutron scattering from aluminium

    PubMed Central

    Roach, Daniel L.; Ross, D. Keith; Gale, Julian D.; Taylor, Jon W.

    2013-01-01

    A new approach to the interpretation and analysis of coherent inelastic neutron scattering from polycrystals (poly-CINS) is presented. This article describes a simulation of the one-phonon coherent inelastic scattering from a lattice model of an arbitrary crystal system. The one-phonon component is characterized by sharp features, determined, for example, by boundaries of the (Q, ω) regions where one-phonon scattering is allowed. These features may be identified with the same features apparent in the measured total coherent inelastic cross section, the other components of which (multiphonon or multiple scattering) show no sharp features. The parameters of the model can then be relaxed to improve the fit between model and experiment. This method is of particular interest where no single crystals are available. To test the approach, the poly-CINS has been measured for polycrystalline aluminium using the MARI spectrometer (ISIS), because both lattice dynamical models and measured dispersion curves are available for this material. The models used include a simple Lennard-Jones model fitted to the elastic constants of this material plus a number of embedded atom method force fields. The agreement obtained suggests that the method demonstrated should be effective in developing models for other materials where single-crystal dispersion curves are not available. PMID:24282332

  13. Band Structure of Helimagnons in MnSi Resolved by Inelastic Neutron Scattering.

    PubMed

    Kugler, M; Brandl, G; Waizner, J; Janoschek, M; Georgii, R; Bauer, A; Seemann, K; Rosch, A; Pfleiderer, C; Böni, P; Garst, M

    2015-08-28

    A magnetic helix realizes a one-dimensional magnetic crystal with a period given by the pitch length λh. Its spin-wave excitations-the helimagnons-experience Bragg scattering off this periodicity, leading to gaps in the spectrum that inhibit their propagation along the pitch direction. Using high-resolution inelastic neutron scattering, the resulting band structure of helimagnons was resolved by preparing a single crystal of MnSi in a single magnetic-helix domain. At least five helimagnon bands could be identified that cover the crossover from flat bands at low energies with helimagnons basically localized along the pitch direction to dispersing bands at higher energies. In the low-energy limit, we find the helimagnon spectrum to be determined by a universal, parameter-free theory. Taking into account corrections to this low-energy theory, quantitative agreement is obtained in the entire energy range studied with the help of a single fitting parameter. PMID:26371678

  14. Neutron Spin Structure Studies and Low-Energy Tests of the Standard Model at JLab

    SciTech Connect

    Jager, Kees de

    2008-10-13

    The most recent results on the spin structure of the neutron from Hall A are presented and discussed. Then, an overview is given of various experiments planned with the 12 GeV upgrade at Jefferson Lab to provide sensitive tests of the Standard Model at relatively low energies.

  15. Elastic and inelastic scattering of neutrons from 56Fe

    NASA Astrophysics Data System (ADS)

    Ramirez, Anthony Paul; McEllistrem, M. T.; Liu, S. H.; Mukhopadhyay, S.; Peters, E. E.; Yates, S. W.; Vanhoy, J. R.; Harrison, T. D.; Rice, B. G.; Thompson, B. K.; Hicks, S. F.; Howard, T. J.; Jackson, D. T.; Lenzen, P. D.; Nguyen, T. D.; Pecha, R. L.

    2015-10-01

    The differential cross sections for elastic and inelastic scattered neutrons from 56Fe have been measured at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator) for incident neutron energies between 2.0 and 8.0 MeV and for the angular range 30° to 150°. Time-of-flight techniques and pulse-shape discrimination were employed for enhancing the neutron energy spectra and for reducing background. An overview of the experimental procedures and data analysis for the conversion of neutron yields to differential cross sections will be presented. These include the determination of the energy-dependent detection efficiencies, the normalization of the measured differential cross sections, and the attenuation and multiple scattering corrections. Our results will also be compared to evaluated cross section databases and reaction model calculations using the TALYS code. This work is supported by grants from the U.S. Department of Energy-Nuclear Energy Universities Program: NU-12-KY-UK-0201-05, and the Donald A. Cowan Physics Institute at the University of Dallas.

  16. Measurement of changes in water thickness in plant materials using very low-energy neutron radiography

    NASA Astrophysics Data System (ADS)

    Matsushima, U.; Kawabata, Y.; Hino, M.; Geltenbort, P.; Nicolaï, B. M.

    2005-04-01

    Low-energy neutron radiographic images of Hedera leaves were obtained using the very cold neutron (VCN) beam at Institut Laue-Langevin, France. A change in hydrogen concentration measured in a short period by means of neutron radiography indicates a change in water concentration in the plant. A regression model was evaluated to estimate changes in water thickness of the leaves and, the resolution of this method was smaller than 5 μm. The method was effective to measure small changes in water thickness of thin plant leaves.

  17. Wide-angle mechanical velocity selection for scattered neutrons in inelastic neutron spectrometers

    NASA Astrophysics Data System (ADS)

    Mamontov, E.

    2014-09-01

    We have analyzed the performance of the proposed mechanical device suitable for wide-angle velocity selection of neutrons scattered at the sample position in inelastic neutron spectrometers. The proposed wide-angle velocity selector (WAVES) is essentially a collimator that rotates about the vertical axis passing through the sample position, whose blades are not radial, but instead shaped to optimize the transmission of neutrons of the targeted velocity. The rotation phase of the selector does not need to be synchronized with the incident beam pulses, as long as the incident neutrons can reach the sample position, which greatly simplifies the selector control and makes it suitable for neutron spectrometers at both pulsed and steady sources. We discuss applications of the proposed selector in various types of the inverted-geometry neutron spectrometers.

  18. Low-Energy Dipole Modes of Excitation Below the Neutron Separation Energy

    SciTech Connect

    Tonchev, A. P.; Howell, C. R.; Tornow, W.; Angell, C.; Boswell, M.; Karwowski, H. J.; Kelley, J. H.; Tsoneva, N.

    2006-03-13

    The nuclear resonance fluorescence experiments have been performed at the High Intensity Gamma Source (HI{gamma}S) on 138Ba nuclei using four 60% efficient HPGe detectors. Excitation energies, spin, parities, and decay branching ratios were measured for the low-energy dipole modes of excitations. Experimental results on the parity measurement below the neutron separation energy shows that all dipole states in this energy region exhibit E1 excitation. These results are consistent with theoretical prediction of the collective isoscalar nature of this low-energy mode of excitation.

  19. Low-energy beam transport studies supporting the Spallation Neutron Source 1-MW beam operationa

    SciTech Connect

    Han, Baoxi; Kalvas, T.; Tarvainen, O.; Welton, Robert F; Murray Jr, S N; Pennisi, Terry R; Santana, Manuel; Stockli, Martin P

    2012-01-01

    The H- injector consisting of a cesium enhanced RF-driven ion source and a 2-lens electrostatic low-energy beam transport (LEBT) system supports the Spallation Neutron Source 1-MW beam operation with ~38 mA beam current in the linac at 60 Hz with a pulse length of up to ~1.0 ms. In this work, two important issues associated with the low-energy beam transport are discussed: 1) inconsistent dependence of the post-RFQ beam current on the ion source tilt angle, and 2) high power beam losses on the LEBT electrodes under some off-nominal conditions compromising their reliability.

  20. Use of borated polyethylene to improve low energy response of a prompt gamma based neutron dosimeter

    NASA Astrophysics Data System (ADS)

    Priyada, P.; Ashwini, U.; Sarkar, P. K.

    2016-05-01

    The feasibility of using a combined sample of borated polyethylene and normal polyethylene to estimate neutron ambient dose equivalent from measured prompt gamma emissions is investigated theoretically to demonstrate improvements in low energy neutron dose response compared to only polyethylene. Monte Carlo simulations have been carried out using the FLUKA code to calculate the response of boron, hydrogen and carbon prompt gamma emissions to mono energetic neutrons. The weighted least square method is employed to arrive at the best linear combination of these responses that approximates the ICRP fluence to dose conversion coefficients well in the energy range of 10-8 MeV to 14 MeV. The configuration of the combined system is optimized through FLUKA simulations. The proposed method is validated theoretically with five different workplace neutron spectra with satisfactory outcome.

  1. Compact turnkey focussing neutron guide system for inelastic scattering investigations

    NASA Astrophysics Data System (ADS)

    Brandl, G.; Georgii, R.; Dunsiger, S. R.; Tsurkan, V.; Loidl, A.; Adams, T.; Pfleiderer, C.; Böni, P.

    2015-12-01

    We demonstrate the performance of a compact neutron guide module which boosts the intensity in inelastic neutron scattering experiments by approximately a factor of 40. The module consists of two housings containing truly curved elliptic focussing guide elements, positioned before and after the sample. The advantage of the module lies in the ease with which it may be reproducibly mounted on a spectrometer within a few hours, on the same timescale as conventional sample environments. It is particularly well suited for samples with a volume of a few mm3, thus enabling the investigation of materials which to date would have been considered prohibitively small or samples exposed to extreme environments, where there are space constraints. We benchmark the excellent performance of the module by measurements of the structural and magnetic excitations in single crystals of model systems. In particular, we report the phonon dispersion in the simple element lead. We also determine the magnon dispersion in the spinel ZnCr2Se4 (V = 12.5 mm3), where strong magnetic diffuse scattering at low temperatures evolves into distinct helical order.

  2. Compact turnkey focussing neutron guide system for inelastic scattering investigations

    SciTech Connect

    Brandl, G.; Georgii, R.; Dunsiger, S. R.; Tsurkan, V.; Loidl, A.; Adams, T.; Pfleiderer, C.; Böni, P.

    2015-12-21

    We demonstrate the performance of a compact neutron guide module which boosts the intensity in inelastic neutron scattering experiments by approximately a factor of 40. The module consists of two housings containing truly curved elliptic focussing guide elements, positioned before and after the sample. The advantage of the module lies in the ease with which it may be reproducibly mounted on a spectrometer within a few hours, on the same timescale as conventional sample environments. It is particularly well suited for samples with a volume of a few mm{sup 3}, thus enabling the investigation of materials which to date would have been considered prohibitively small or samples exposed to extreme environments, where there are space constraints. We benchmark the excellent performance of the module by measurements of the structural and magnetic excitations in single crystals of model systems. In particular, we report the phonon dispersion in the simple element lead. We also determine the magnon dispersion in the spinel ZnCr{sub 2}Se{sub 4} (V = 12.5 mm{sup 3}), where strong magnetic diffuse scattering at low temperatures evolves into distinct helical order.

  3. Digital Electronics For The Versatile Array Of Neutron Detectors At Low Energies

    SciTech Connect

    Madurga, M.; Paulauskas, S.; Grzywacz, R.; Padgett, S. W.; Liddick, S. N.; Bardayan, D. W.; Batchelder, J. C.; Matei, C.; Peters, W. A.; Rasco, C.; Blackmon, J. C.; Cizewski, J. A.; O'Malley, P.; Goans, R. E.; Raiola, F.; Sarazin, F.

    2011-06-01

    A {chi}{sup 2} minimization algorithm has been developed to extract sub-sampling-time information from digitized waveforms, to be used to instrument the future Versatile Array of Neutron Detectors at Low energies. The algorithm performance has been characterized with a fast Arbitrary Function Generator, obtaining time resolution better than 1 ns for signals of amplitudes between 50 mV and 1V, with negligible walk in the whole range. The proof-of-principle measurement of the beta-delayed neutron emission from {sup 89}Br indicates a resolution of 1 ns can be achieved in realistic experimental conditions.

  4. A digital data acquisition framework for the Versatile Array of Neutron Detectors at Low Energy (VANDLE)

    NASA Astrophysics Data System (ADS)

    Paulauskas, S. V.; Madurga, M.; Grzywacz, R.; Miller, D.; Padgett, S.; Tan, H.

    2014-02-01

    Neutron energy measurements can be achieved using time-of-flight (ToF) techniques. A digital data acquisition system was developed for reliable ToF measurements with subnanosecond timing resolution based on digitizers with 10 ns and 4 ns sampling periods using pulse shape analysis algorithms. A validation procedure was developed to confirm the reliability. The response of the algorithm to photomultiplier signals was studied using a specially designed experimental system based on fast plastic scintillators. The presented developments enabled digital data acquisition systems to instrument the recently developed Versatile Array of Neutron Detectors at Low-Energy (VANDLE).

  5. Digital Electronics For The Versatile Array Of Neutron Detectors At Low Energies

    NASA Astrophysics Data System (ADS)

    Madurga, M.; Paulauskas, S.; Grzywacz, R.; Padgett, S. W.; Bardayan, D. W.; Batchelder, J. C.; Blackmon, J. C.; Cizewski, J. A.; Goans, R. E.; Liddick, S. N.; O'Malley, P.; Matei, C.; Peters, W. A.; Rasco, C.; Raiola, F.; Sarazin, F.

    2011-06-01

    A χ2 minimization algorithm has been developed to extract sub-sampling-time information from digitized waveforms, to be used to instrument the future Versatile Array of Neutron Detectors at Low energies. The algorithm performance has been characterized with a fast Arbitrary Function Generator, obtaining time resolution better than 1 ns for signals of amplitudes between 50 mV and 1V, with negligible walk in the whole range. The proof-of-principle measurement of the beta-delayed neutron emission from 89Br indicates a resolution of 1 ns can be achieved in realistic experimental conditions.

  6. Digital data acquisition for the Low Energy Neutron Detector Array (LENDA)

    NASA Astrophysics Data System (ADS)

    Lipschutz, S.; Zegers, R. G. T.; Hill, J.; Liddick, S. N.; Noji, S.; Prokop, C. J.; Scott, M.; Solt, M.; Sullivan, C.; Tompkins, J.

    2016-04-01

    A digital data acquisition system (DDAS) has been implemented for the Low Energy Neutron Detector Array (LENDA). LENDA is an array of 24 BC-408 plastic-scintillator bars designed to measure low-energy neutrons with kinetic energies in the range of 100 keV-10 MeV from (p,n)-type charge-exchange reactions. Compared to the previous data acquisition (DAQ) system for LENDA, DDAS offers the possibility to lower the neutron detection threshold, increase the overall neutron-detection efficiency, decrease the dead time of the system, and allow for easy expansion of the array. The system utilized in this work was XIA's Digital Gamma Finder Pixie-16 250 MHz digitizers. A detector-limited timing resolution of 400 ps was achieved for a single LENDA bar. Using DDAS, the neutron detection threshold of the system was reduced compared to the previous analog system, now reaching below 100 keV. The new DAQ system was successfully used in a recent charge-exchange experiment using the 16C(p,n) reaction at the National Superconducting Cyclotron Laboratory (NSCL).

  7. Compensated bismuth-loaded plastic scintillators for neutron detection using low-energy pseudo-spectroscopy

    NASA Astrophysics Data System (ADS)

    Dumazert, Jonathan; Coulon, Romain; Bertrand, Guillaume H. V.; Normand, Stéphane; Méchin, Laurence; Hamel, Matthieu

    2016-05-01

    Gadolinium-covered modified plastic scintillators show a high potential for the deployment of cost-effective neutron detectors. Taking advantage of the low-energy photon and electron signature of thermal neutron captures in gadolinium-155 and gadolinium-157 however requires a background correction. In order to display a trustable rate, dual compensation schemes appear as an alternative to Pulse Shape Discrimination. This paper presents the application of such a compensation scheme to a two-bismuth loaded plastic scintillator system. A detection scintillator interacts with incident photon and fast neutron radiations and is covered with a gadolinium converter to become thermal neutron-sensitive as well. In the meantime, an identical compensation scintillator, covered with terbium, solely interacts with the photon and fast neutron part of incident radiations. After the acquisition and the treatment of the counting signals from both sensors, a hypothesis test determines whether the resulting count rate after subtraction falls into statistical fluctuations or provides a robust image of neutron activity. A laboratory prototype is tested under both photon and neutron radiations, allowing us to investigate the performance of the overall compensation system. The study reveals satisfactory results in terms of robustness to a cesium-137 background and in terms of sensitivity in presence of a californium-252 source.

  8. Molecular-dynamics study of ionic motions and neutron inelastic scattering in α-AgI

    NASA Astrophysics Data System (ADS)

    Chiarotti, Guido L.; Jacucci, G.; Rahman, A.

    1986-11-01

    Contrary to the current interpretation of inelastic-neutron-scattering data on α-AgI, molecular-dynamics calculations show that inelastic neutron scattering is dominated by coherent scattering from Ag+ ions. The calculations agree with the available data. Ag+ ions diffuse by jumps between tetrahedral sites, the consequences being in complete accord with the Chudley-Elliot model only if the full geometrical complexity of these sites is included. Phonon modes due to I- motions are predicted for certain wave vectors.

  9. Low-energy neutron-deuteron reactions with N 3 LO chiral forces

    NASA Astrophysics Data System (ADS)

    Golak, J.; Skibiński, R.; Topolnicki, K.; Witała, H.; Epelbaum, E.; Krebs, H.; Kamada, H.; Meißner, Ulf-G.; Bernard, V.; Maris, P.; Vary, J.; Binder, S.; Calci, A.; Hebeler, K.; Langhammer, J.; Roth, R.; Nogga, A.; Liebig, S.; Minossi, D.

    2014-11-01

    We solve three-nucleon Faddeev equations with nucleon-nucleon and three-nucleon forces derived consistently in the framework of chiral perturbation theory at next-to-next-to-next-to-leading order in the chiral expansion. In this first investigation we include only matrix elements of the three-nucleon force for partial waves with the total two-nucleon (three-nucleon) angular momenta up to 3 (5/2). Low-energy neutron-deuteron elastic scattering and deuteron breakup reaction are studied. Emphasis is put on A y puzzle in elastic scattering and cross sections in symmetric-space-star and neutron-neutron quasi-free-scattering breakup configurations, for which large discrepancies between data and theory have been reported.

  10. Development of deterministic transport methods for low energy neutrons for shielding in space

    NASA Technical Reports Server (NTRS)

    Ganapol, Barry

    1993-01-01

    Transport of low energy neutrons associated with the galactic cosmic ray cascade is analyzed in this dissertation. A benchmark quality analytical algorithm is demonstrated for use with BRYNTRN, a computer program written by the High Energy Physics Division of NASA Langley Research Center, which is used to design and analyze shielding against the radiation created by the cascade. BRYNTRN uses numerical methods to solve the integral transport equations for baryons with the straight-ahead approximation, and numerical and empirical methods to generate the interaction probabilities. The straight-ahead approximation is adequate for charged particles, but not for neutrons. As NASA Langley improves BRYNTRN to include low energy neutrons, a benchmark quality solution is needed for comparison. The neutron transport algorithm demonstrated in this dissertation uses the closed-form Green's function solution to the galactic cosmic ray cascade transport equations to generate a source of neutrons. A basis function expansion for finite heterogeneous and semi-infinite homogeneous slabs with multiple energy groups and isotropic scattering is used to generate neutron fluxes resulting from the cascade. This method, called the FN method, is used to solve the neutral particle linear Boltzmann transport equation. As a demonstration of the algorithm coded in the programs MGSLAB and MGSEMI, neutron and ion fluxes are shown for a beam of fluorine ions at 1000 MeV per nucleon incident on semi-infinite and finite aluminum slabs. Also, to demonstrate that the shielding effectiveness against the radiation from the galactic cosmic ray cascade is not directly proportional to shield thickness, a graph of transmitted total neutron scalar flux versus slab thickness is shown. A simple model based on the nuclear liquid drop assumption is used to generate cross sections for the galactic cosmic ray cascade. The ENDF/B V database is used to generate the total and scattering cross sections for neutrons in

  11. Phonon dynamics and inelastic neutron scattering of sodium niobate

    NASA Astrophysics Data System (ADS)

    Mishra, S. K.; Gupta, M. K.; Mittal, R.; Zbiri, M.; Rols, S.; Schober, H.; Chaplot, S. L.

    2014-05-01

    Sodium niobate (NaNbO3) exhibits an extremely complex sequence of structural phase transitions in the perovskite family and therefore provides an excellent model system for understanding the mechanism of structural phase transitions. We report temperature dependence of inelastic neutron scattering measurements of phonon densities of states in sodium niobate. The measurements are carried out in various crystallographic phases of this material at various temperatures from 300 to 1048 K. The phonon spectra exhibit peaks centered on 19, 37, 51, 70, and 105 meV. Interestingly, the peak near 70 meV shifts significantly towards lower energy with increasing temperature, while the other peaks do not exhibit any appreciable shift. The phonon spectra at 783 K show prominent change and become more diffusive as compared to those at 303 K. In order to better analyze these features, we have performed first-principles lattice dynamics calculations based on the density functional theory. The computed phonon density of states is found to be in good agreement with the experimental data. Based on our calculation we are able to assign the characteristic Raman modes in the antiferroelectric phase, which are due to the folding of the T (ω = 95 cm-1) and Δ (ω = 129 cm-1) points of the cubic Brillouin zone, to the A1g symmetry.

  12. Inelastic neutron scattering from tetramethylammonium cations occluded within zeolites

    SciTech Connect

    Brun, T.O.; Curtiss, L.A.; Iton, L.E.; Kleb, R.; Newsam, J.M.; Beyerlein, R.A.; Vaughan, D.E.W.

    1987-06-24

    The use of organic bases, for example, tetraalklylammonium hydroxides, and other organic reagents has greatly enhanced the scope of gel/solution synthesis routes to crystalline microporous materials such as zeolites. The role of these organic components, however, continues to be the topic of considerable debate. The organic components first modify the gel structural chemistry. The presence of tetramethylammonium (TMA) hydroxide, for example, promotes the formation of double four-ring units in silicate solutions. Occlusion of organic gel components in zeolite crystal structures, however, leads also to the concept of a templating effect in which the organic component provides a basis around which the developing zeolite cages form. The mechanism of this templating process remains somewhat ill defined and must, at least, be of variable specificity. The authors describe here the use of inelastic neutron scattering (INS) to measure TMA template torsional vibrations, vibrations that provide to be sensitive to the strength of the interaction between the template cation and the enclosing zeolite cage.

  13. Low-energy beam transport studies supporting the spallation neutron source 1-MW beam operation

    SciTech Connect

    Han, B. X.; Welton, R. F.; Murray, S. N. Jr.; Pennisi, T. R.; Santana, M.; Stockli, M. P.; Kalvas, T.; Tarvainen, O.

    2012-02-15

    The H{sup -} injector consisting of a cesium enhanced RF-driven ion source and a 2-lens electrostatic low-energy beam transport (LEBT) system supports the spallation neutron source 1 MW beam operation with {approx}38 mA beam current in the linac at 60 Hz with a pulse length of up to {approx}1.0 ms. In this work, two important issues associated with the low-energy beam transport are discussed: (1) inconsistent dependence of the post-radio frequency quadrupole accelerator beam current on the ion source tilt angle and (2) high power beam losses on the LEBT electrodes under some off-nominal conditions compromising their reliability.

  14. Low-energy beam transport studies supporting the spallation neutron source 1-MW beam operation

    SciTech Connect

    Kalvas, T.; Welton, Robert F; Pennisi, Terry R

    2012-01-01

    The H{sup -} injector consisting of a cesium enhanced RF-driven ion source and a 2-lens electrostatic low-energy beam transport (LEBT) system supports the spallation neutron source 1 MW beam operation with {approx}38 mA beam current in the linac at 60 Hz with a pulse length of up to {approx}1.0 ms. In this work, two important issues associated with the low-energy beam transport are discussed: (1) inconsistent dependence of the post-radio frequency quadrupole accelerator beam current on the ion source tilt angle and (2) high power beam losses on the LEBT electrodes under some off-nominal conditions compromising their reliability.

  15. Neutron Transport Models and Methods for HZETRN and Coupling to Low Energy Light Ion Transport

    NASA Technical Reports Server (NTRS)

    Blattnig, S.R.; Slaba, T.C.; Heinbockel, J.H.

    2008-01-01

    Exposure estimates inside space vehicles, surface habitats, and high altitude aircraft exposed to space radiation are highly influenced by secondary neutron production. The deterministic transport code HZETRN has been identified as a reliable and efficient tool for such studies, but improvements to the underlying transport models and numerical methods are still necessary. In this paper, the forward-backward (FB) and directionally coupled forward-backward (DC) neutron transport models are derived, numerical methods for the FB model are reviewed, and a computationally efficient numerical solution is presented for the DC model. Both models are compared to the Monte Carlo codes HETCHEDS and FLUKA, and the DC model is shown to agree closely with the Monte Carlo results. Finally, it is found in the development of either model that the decoupling of low energy neutrons from the light ion (A<4) transport procedure adversely affects low energy light ion fluence spectra and exposure quantities. A first order correction is presented to resolve the problem, and it is shown to be both accurate and efficient.

  16. First GEANT4-based simulation investigation of a Li-coated resistive plate chamber for low-energy neutrons

    NASA Astrophysics Data System (ADS)

    Rhee, J. T.; Jamil, M.; Jeon, Y. J.

    2013-08-01

    A simulation study of the performance of a single-gap resistive plate chamber coated with Li-layer for the detection of low energy neutrons was performed by means of GEANT4 Monte Carlo code. Low energy neutrons were detected via 7Li(n, α) 3He nuclear reaction. To make the detector sensitive to low energy neutrons, Li- coating was employed both on the forward and backward electrodes of the converter. Low energy neutrons were transported onto the Li-coating RPC by GEANT4 MC code. A detector with converter area of 5×5 cm2 was utilized for this work. The detection response was evaluated as a function of incident low energy neutrons in the range of 25 MeV-100 MeV. The evaluated results predicted higher detection response for the backward-coated converter detector than that of forward coated converter RPC setup. This type of detector can be useful for the detection of low energy neutrons.

  17. Monte-Carlo simulation of soil carbon measurements by inelastic neutron scattering

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Measuring soil carbon is critical for assessing the potential impact of different land management practices on carbon sequestration. The inelastic neutron scattering (INS) of fast neutrons (with energy around 14 MeV) on carbon-12 nuclei produces gamma rays with energy of 4.43 MeV; this gamma flux ca...

  18. Hot background” of the mobile inelastic neutron scattering system for soil carbon analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The problem of gamma spectrum peaks identification arises when conducting soil carbon (and other elements) analysis using the mobile inelastic neutron scattering (MINS) system. Some gamma spectrum peaks could be associated with radioisotopes appearing due to neutron activation of both the MINS syste...

  19. Neutron Emission Spectra from Inelastic Scattering on 58,60Ni with a White Neutron Source at FIGARO

    SciTech Connect

    Rochman, D.; Haight, R.C.; O'Donnell, J. M.; Devlin, M.; Ethvignot, T.; Granier, T.; Grimes, S.M.; Talou, P.

    2005-05-24

    Neutron emission spectra from inelastic neutron scattering on natural nickel at the FIGARO facility have been measured by a double time-of-flight technique. The incident neutrons are produced from the spallation source of the Weapons Neutron Research facility, and their energies are determined by time of flight. The emitted neutrons and gamma rays are detected by 16 liquid scintillators and one high-resolution germanium or one barium-fluoride detector, respectively. The results for incident neutron energies from 2 to 10 MeV are compared with predictions of nuclear model calculations performed with the code EMPIRE-II. Finally, the level density parameters 'a' and ''{delta}'' are extracted.

  20. Dynamical transition of myoglobin revealed by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Doster, Wolfgang; Cusack, Stephen; Petry, Winfried

    1989-02-01

    Structural fluctuations in proteins on the picosecond timescale have been studied in considerable detail by theoretical methods such as molecular dynamics simulation1,2, but there exist very few experimental data with which to test the conclusions. We have used the technique of inelastic neutron scattering to investigate atomic motion in hydrated myoglobin over the temperature range 4 350 K and on the molecular dynamics timescale 0.1 100 ps. At temperatures below 180 K myglobin behaves as a harmonic solid, with essentially only vibrational motion. Above 180 K there is a striking dynamic transition arising from the excitation of non-vibrational motion, which we interpret as corresponding to tor-sional jumps between states of different energy, with a mean energy asymmetry of KJ mol -1. This extra mobility is reflected in a strong temperature dependence of the mean-square atomic displacements, a phenomenon previously observed specifically for the heme iron by Mossbauer spectroscopy3 5, but on a much slower timescale (10-7 s). It also correlates with a glass-like transition in the hydration shell of myoglobin6 and with the temperature-dependence of ligand-binding rates at the heme iron, as monitored by flash photolysis7. In contrast, the crystal structure of myoglobin determined down to 80 K shows no significant structural transition8 10. The dynamical behaviour we find for myoglobin (and other globular proteins) suggests a coupling of fast local motions to slower collective motions, which is a characteristic feature of other dense glass-forming systems.

  1. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    DOE PAGESBeta

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, andmore » the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.« less

  2. Inelastic neutron scattering study on boson peaks of imidazolium-based ionic liquids

    SciTech Connect

    Kofu, Maiko; Inamura, Yasuhiro; Podlesnyak, Andrey A.; Ehlers, Georg; Yamamuro, Osamu; Moriya, Yosuke

    2015-07-26

    Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a “boson peak” appeared at 1–3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (EBP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among EBP, the anion radius, and the glass transition temperature Tg, we conclude that both EBP and Tg in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. Furthermore, we also found that the EBP is proportional to the inverse square root of the molecular weight as observed in molecular glasses.

  3. Crystal electric field excitations in quasicrystal approximant TbCd6 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Das, Pinaki; Flint, R.; Kong, T.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; de Boissieu, M.; Lory, P.-F.; Beutier, G.; Hiroto, T.

    All of the known quasicrystals with local moments exhibit frustration and spin glass-like behavior at low temperature. The onset of the spin freezing temperature is believed to be affected by the crystal electric field (CEF) splitting of the local moments. The quasicrystal approximant TbCd6 and its related icosahedral quasicrystal phase, i-Tb-Cd, form a set of model systems to explore how magnetism evolves from a conventional lattice (approximant phase) to an aperiodic quasicrystal. Though TbCd6 shows long-range antiferromagnetic ordering (TN = 24 K), only spin glass like behavior is observed in i-Tb-Cd with a spin freezing temperature of TF = 6 K. To investigate further, we have performed inelastic neutron scattering measurements on powder samples of TbCd6 and observed two distinct CEF excitations at low energies which points to a high degeneracy of the CEF levels related to the Tb surrounding with almost icosahedral symmetry. Work at Ames Laboratory was supported by the DOE, BES, Division of Materials Sciences & Engineering, under Contract No. DE-AC02-07CH11358. This research used resources at Institut Laue-Langevin, France.

  4. Low-energy neutron direct capture by 12C in a dispersive optical potential

    NASA Astrophysics Data System (ADS)

    Kitazawa, H.; Go, K.; Igashira, M.

    1998-01-01

    A dispersive optical potential for the interaction between low-energy neutrons and 12C nuclei is derived from a dispersion relation based on the Feshbach generalized optical model. The potential reproduces completely neutron total cross sections below 1.0 MeV and substantially reproduces the energy of the 3090 keV(1/2+) level in 13C which is of nearly pure 2s1/2 single-particle character. It is found that direct-capture model calculations with this potential explain quite successfully the observed off-resonance capture transitions to the ground (1/2-), 3090 keV(1/2+), 3685 keV(3/2-), and 3854 keV(5/2+) levels in 13C at neutron energies of 20-600 keV. Special emphasis is laid on the fact that in these model analyses, account should be taken of the spatial nonlocality of the neutron-nucleus interaction potential, in particular for negative energies.

  5. Low-energy neutron direct capture by {sup 12}C in a dispersive optical potential

    SciTech Connect

    Kitazawa, H.; Go, K.; Igashira, M.

    1998-01-01

    A dispersive optical potential for the interaction between low-energy neutrons and {sup 12}C nuclei is derived from a dispersion relation based on the Feshbach generalized optical model. The potential reproduces completely neutron total cross sections below 1.0 MeV and substantially reproduces the energy of the 3090keV(1/2{sup +}) level in {sup 13}C which is of nearly pure 2s{sub 1/2} single-particle character. It is found that direct-capture model calculations with this potential explain quite successfully the observed off-resonance capture transitions to the ground (1/2{sup {minus}}), 3090keV(1/2{sup +}), 3685keV(3/2{sup {minus}}), and 3854keV(5/2{sup +}) levels in {sup 13}C at neutron energies of 20{endash}600 keV. Special emphasis is laid on the fact that in these model analyses, account should be taken of the spatial nonlocality of the neutron-nucleus interaction potential, in particular for negative energies. {copyright} {ital 1998} {ital The American Physical Society}

  6. Simple model of bulk and surface excitation effects to inelastic scattering in low-energy electron beam irradiation of multi-walled carbon nanotubes

    SciTech Connect

    Kyriakou, Ioanna; Emfietzoglou, Dimitris; Garcia-Molina, Rafael; Abril, Isabel; Kostarelos, Kostas

    2011-09-01

    The effect of bulk and surface excitations to inelastic scattering in low-energy electron beam irradiation of multi-walled carbon nanotubes (MWNTs) is studied using the dielectric formalism. Calculations are based on a semiempirical dielectric response function for MWCNTs determined by means of a many-pole plasmon model with parameters adjusted to available experimental spectroscopic data under theoretical sum-rule constrains. Finite-size effects are considered in the context of electron gas theory via a boundary correction term in the plasmon dispersion relations, thus, allowing a more realistic extrapolation of the electronic excitation spectrum over the whole energy-momentum plane. Energy-loss differential and total inelastic scattering cross sections as a function of electron energy and distance from the surface, valid over the energy range {approx}50-30,000 eV, are calculated with the individual contribution of bulk and surface excitations separated and analyzed for the case of normally incident and escaping electrons. The sensitivity of the results to the various approximations for the spatial dispersion of the electronic excitations is quantified. Surface excitations are shown to have a strong influence upon the shape and intensity of the energy-loss differential cross section in the near surface region whereas the general notion of a spatially invariant inelastic mean free path inside the material is found to be of good approximation.

  7. Simple model of bulk and surface excitation effects to inelastic scattering in low-energy electron beam irradiation of multi-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Kyriakou, Ioanna; Emfietzoglou, Dimitris; Garcia-Molina, Rafael; Abril, Isabel; Kostarelos, Kostas

    2011-09-01

    The effect of bulk and surface excitations to inelastic scattering in low-energy electron beam irradiation of multi-walled carbon nanotubes (MWNTs) is studied using the dielectric formalism. Calculations are based on a semiempirical dielectric response function for MWCNTs determined by means of a many-pole plasmon model with parameters adjusted to available experimental spectroscopic data under theoretical sum-rule constrains. Finite-size effects are considered in the context of electron gas theory via a boundary correction term in the plasmon dispersion relations, thus, allowing a more realistic extrapolation of the electronic excitation spectrum over the whole energy-momentum plane. Energy-loss differential and total inelastic scattering cross sections as a function of electron energy and distance from the surface, valid over the energy range ˜50-30,000 eV, are calculated with the individual contribution of bulk and surface excitations separated and analyzed for the case of normally incident and escaping electrons. The sensitivity of the results to the various approximations for the spatial dispersion of the electronic excitations is quantified. Surface excitations are shown to have a strong influence upon the shape and intensity of the energy-loss differential cross section in the near surface region whereas the general notion of a spatially invariant inelastic mean free path inside the material is found to be of good approximation.

  8. DOSIMETRIC response of a REM-500 in low energy neutron fields typical of nuclear power plants.

    PubMed

    Aslam; Matysiak, W; Atanackovic, J; Waker, A J

    2012-06-01

    This study investigates the response of a REM-500 to assess neutron quality factor and dose equivalent in low energy neutron fields, which are commonly encountered in the workplace environment of nuclear power stations. The McMaster University 3 MV Van de Graaff accelerator facility was used to measure the response of the instrument in monoenergetic neutron fields in the energy range 51 to 727 keV by bombarding a thin LiF target with 1.93-2.50 MeV protons. The energy distribution of the neutron fields produced in the facility was measured by a (3)He filled gas ionization chamber. The MCA mode of the REM-500 instrument was used to collect lineal energy distributions at varying neutron energies and to calculate the frequency and dose-mean lineal energies. The effective quality factor, Q-, was also calculated using the values of Q(y)listed in the REM-500 operation manual and compared with those of ICRP 60. The authors observed a continuously increasing trend in y - F, y-D, and Q-with an increase in neutron energy. It is interesting to note that standard tissue equivalent proportional counters (TEPCs) filled with tissue equivalent(TE) gas give rise to a similar trend for these microdosimetric quantities of interest in the same energy range; however, the averages calculated in this study are larger by about 15%compared to a TEPC filled with propane-based TE gas probably because of the larger stopping power of protons in propane compared to TE gas. These somewhat larger event sizes did not result in any significant increase in the Q-compared to those obtained from a TEPC filled with TE gas and were found to be in good agreement with other measurements reported earlier at corresponding neutron energies. The instrument quality factor response, R(Q), defined as the ratio of measured quality factor to the calculated quality factor in an ICRU tissue sphere,was found to vary with neutron energy. The instrument response,R(Q), was ~0.6 at 727 keV, which deteriorates further to

  9. "Hot background" of the mobile inelastic neutron scattering system for soil carbon analysis.

    PubMed

    Kavetskiy, Aleksandr; Yakubova, Galina; Prior, Stephen A; Torbert, H Allen

    2016-01-01

    The problem of gamma spectrum peak identification arises when conducting soil carbon analysis using the inelastic neutron scattering (INS) system. Some spectral peaks could be associated with radioisotopes appearing due to neutron activation of both the measurement system and soil samples. The investigation of "hot background" gamma spectra from the construction materials, whole measurement system, and soil samples over time showed that activation of (28)Al isotope can contribute noticeable additions to the soil neutron stimulated gamma spectra. PMID:26595773

  10. Composition Dependence of the Boson Peak and Universality in Lithium Borate Binary Glasses: Inelastic Neutron and Raman Scattering Studies

    NASA Astrophysics Data System (ADS)

    Matsuda, Yu; Kawashima, Mitsuru; Moriya, Yosuke; Yamada, Takeshi; Yamamuro, Osamu; Kojima, Seiji

    2010-03-01

    We study the low-energy vibrational dynamics, called the boson peak (BP), of binary lithium borate glasses as a function of the composition of these glasses by inelastic neutron and Raman scattering. Firstly, we analyze the variations in the properties of the BP with the composition. The position and intensity of the BP linearly change with increasing x owing to the changes in the intermediate glass structures. Secondly, we demonstrate that all spectral shapes with different compositions can be scaled by a single master curve, and are the same for all spectra. The results suggests that there is a universal distribution of the vibrational density of states, which does not change with the composition, even though the structures of lithium borate glasses markedly change. The effect of Li2O doping can be understood to be a chemical structure-induced densification.

  11. Inelastic neutron scattering study of phonon density of states in nanostructured Si1 xGex thermoelectrics

    SciTech Connect

    Dhital, Chetan; Abernathy, Douglas L; Zhu, Gaohua; Ren, Zhifeng; Broido, D.; Wilson, Stephen D

    2012-01-01

    Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1 xGex thermoelectric materials prepared via ball-milling and hot-pressing techniques. Dynamic signatures of Ge clustering can be inferred from the data by referencing the resulting spectra to a density functional theoretical model assuming homogeneous alloying via the virtual-crystal approximation. Comparisons are also presented between as-milled Si nanopowder and bulk, polycrystalline Si where a preferential low-energy enhancement and lifetime broadening of the phonon density of states appear in the nanopowder. Negligible differences are however observed between the phonon spectra of bulk Si andhot-pressed, nanostructured Si samples suggesting that changes to the single-phonon dynamics above 4 meV play only a secondary role in the modified heat conduction of this compound.

  12. Self-dynamics of hydrogen gas as probed by means of inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Guarini, Eleonora; Orecchini, Andrea; Formisano, Ferdinando; Demmel, Franz; Petrillo, Caterina; Sacchetti, Francesco; Bafile, Ubaldo; Barocchi, Fabrizio

    2005-12-01

    The neutron double-differential cross-section of molecular hydrogen at low density has been measured at two rather low scattering angles and different final neutron energies by means of three-axis spectrometry. This first inelastic scattering determination of the single-particle roto-translational dynamics of room temperature H2 allows for a detailed test of the theoretical modelling of the spectral line-shapes of such a fundamental molecule, performed by referring both to a careful quantum-mechanical treatment and to a simpler semi-classical approximation. A comprehensive report on the neutron measurements and data analysis is presented, along with an overview of the theories used for comparison with the experimental results. An encouraging picture of the present capabilities in the calculation of the true dynamic response of hydrogen gas to slow and thermal neutrons is obtained, opening new perspectives for accurate data calibration in inelastic neutron spectroscopy, with special relevance for small-angle experiments.

  13. Measuring Neutron-Proton Radiative Capture Cross-section at Low Energy

    NASA Astrophysics Data System (ADS)

    Yu, To Chin; Kovash, Michael; Matthews, June; Yang, Hongwei; Yang, Yunjie

    2015-10-01

    The experiment aims to fill in a gap in our data for the cross-section of neutron-proton radiative capture (p(n,d γ)) at energies below 500 keV. Current measurements in this energy range are scarce and inconsistent with theoretical predictions and with each other. A well-determined cross-section of the capture reaction in the low energy range is useful in nuclear physics due to its fundamental nature. The measurement is also of interest in cosmology. Big Bang Nucleosynthesis (BBN), the process by which light elements are formed in early universe, is very sensitive to the p(n,d γ) cross-section in the low energy range. The measurement enables us to put tighter constraints on the theoretical predictions of BBN. We have conducted preliminary measurements in the van de Graaff accelerator facility at the University of Kentucky. Our array of detectors consists of three plastic scintillators to serve as proton targets and deuteron detectors, and five BGO scintillators to detect γ-rays. The combination results in an over-determination of reaction kinematics that discriminates against scattering processes and other backgrounds. We have obtained some early results which show promise for the precise measurement of the p(n,d γ) cross-section.

  14. On the idea of low-energy nuclear reactions in metallic lattices by producing neutrons from protons capturing "heavy" electrons

    NASA Astrophysics Data System (ADS)

    Tennfors, Einar

    2013-02-01

    The present article is a critical comment on Widom and Larsens speculations concerning low-energy nuclear reactions (LENR) based on spontaneous collective motion of protons in a room temperature metallic hydride lattice producing oscillating electric fields that renormalize the electron self-energy, adding significantly to the effective electron mass and enabling production of low-energy neutrons. The frequency and mean proton displacement estimated on the basis of neutron scattering from protons in palladium and applied to the Widom and Larsens model of the proton oscillations yield an electron mass enhancement less than one percent, far below the threshold for the proposed neutron production and even farther below the mass enhancement obtained by Widom and Larsen assuming a high charge density. Neutrons are not stopped by the Coulomb barrier, but the energy required for the neutron production is not low.

  15. Band effects on inelastic scattering of low-energy ions from metallic and ionic surfaces: A formalism beyond the adiabatic molecular-orbitals calculation

    NASA Astrophysics Data System (ADS)

    García, Evelina A.; Goldberg, E. C.

    1998-03-01

    Charge exchange and inelastic excitation processes have been analyzed in the scattering of low-energy He+ from metallic and ionic surfaces. An Anderson-like Hamiltonian is proposed, where the parameters are defined taking into account the electronic band structure of the surface as well as the atomic nature of the interaction between the projectile and the target atoms. The time-dependent collisional process is solved by using a Green-function formalism, which allows us to calculate not only the charge-state probabilities but also the one-electron interband excitations in the solid. Competitive effects of the hybridizations among the localized state at the projectile site and the localized and extended surface states are contemplated. In this way we can explain the observed energy dependences of the neutralization probability, as well as the occurrence of energy-loss processes due to the excitation of valence and core surface electrons induced by the collision.

  16. Magnetic relaxation studies on a single-molecule magnet by time-resolved inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Waldmann, O.; Carver, G.; Dobe, C.; Biner, D.; Sieber, A.; Güdel, H. U.; Mutka, H.; Ollivier, J.; Chakov, N. E.

    2006-01-01

    Time-resolved inelastic neutron scattering measurements on an array of single-crystals of the single-molecule magnet Mn12ac are presented. The data facilitate a spectroscopic investigation of the slow relaxation of the magnetization in this compound in the time domain.

  17. Application of Geant4 simulation for analysis of soil carbon inelastic neutron scattering measurements

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Inelastic neutron scattering (INS) was applied to determine soil carbon content. Due to non-uniform soil carbon depth distribution, the correlation between INS signals with some soil carbon content parameter is not obvious; however, a proportionality between INS signals and average carbon weight per...

  18. Advanced in-situ measurement of soil carbon content using inelastic neutron scattering

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Measurement and mapping of natural and anthropogenic variations in soil carbon stores is a critical component of any soil resource evaluation process. Emerging modalities for soil carbon analysis in the field is the registration of gamma rays from soil under neutron irradiation. The inelastic neutro...

  19. Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering.

    PubMed

    Casco, M E; Cheng, Y Q; Daemen, L L; Fairen-Jimenez, D; Ramos-Fernández, E V; Ramirez-Cuesta, A J; Silvestre-Albero, J

    2016-03-01

    The gate-opening phenomenon in ZIFs is of paramount importance to understand their behavior in industrial molecular separations. Here we show for the first time using in situ inelastic neutron scattering (INS) the swinging of the -CH3 groups and the imidazolate linkers in the prototypical ZIF-8 and ZIF-8@AC hybrid materials upon exposure to mild N2 pressure. PMID:26845644

  20. Neutron Elastic and Inelastic Scattering Cross Sections on ^NatFe and ^23Na

    NASA Astrophysics Data System (ADS)

    Kersting, Luke; Lueck, Collin J.; Hicks, S. F.; Crider, B. P.; McEllistrem, M. T.; Peters, E. E.; Vanhoy, J. R.

    2010-10-01

    Neutron elastic and inelastic scattering angular distributions from ^NatFe and ^23Na at incident neutron energies of 3.57 and 3.81 MeV have been measured at the University of Kentucky 7 MV Van de Graaff laboratory using neutron time-of-flight techniques. The neutron beam was produced using the ^3H(p,n)He^3reaction. The scattered neutrons were detected at angles between 20 and 150 in 10 intervals with a hexafluorbenzene detector located approximately 3 m from the scattering samples. Neutron scattering differential cross sections were deduced. These cross sections and their uncertainties are important for understanding neutron-induced reactions in fission reactors and are important for fission reactor criticality calculations.

  1. Differential Cross Sections for Neutron Elastic and Inelastic Scattering on 23Na

    NASA Astrophysics Data System (ADS)

    Vanhoy, J. R.; Hicks, S. F.; Chakraborty, A.; Champine, B. R.; Combs, B.; Crider, B. P.; Kersting, L. J.; Kumar, A.; Lueck, C. J.; McDonough, P. J.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Sidwell, L.; Sigillito, A.; Watts, D. W.; Yates, S. W.

    2014-03-01

    Measurements of neutron elastic and inelastic scattering from 23Na have been performed for sixteen incident neutron energies above 1.5 MeV with the 7-MV University of Kentucky Accelerator using the 3H(p,n) reaction as the neutron source. These measurements were complemented by γ-ray excitation functions using the (n,n'γ) reaction. The time-of-flight technique is employed for background reduction in both neutron and γ- ray measurements and for determining the energy of the scattered neutrons. Cross section determinations support fuel cycle and structural materials research and development. Previous reaction model evaluations [1] relied primarily on total cross sections and four (n,n0) and (n,n1) angular distributions in the En = 5 to 9 MeV range. The inclusion of more inelastic channels at lower neutron energies provides additional information on direct couplings between elastic and inelastic scattering as a function of angular momentum transfer. Reaction model calculations examining direct collective and statistical properties were performed.

  2. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    PubMed

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV. PMID:23779198

  3. Neutron Emission Spectra from Inelastic Scattering on 58,60Ni with a White Neutron Source at FIGARO.

    SciTech Connect

    Rochman, D.; O'Donnell, J. M.; Devlin, M. J.; Ethvignot, T.; Granier, T.; Grimes, S. M.

    2005-01-01

    Neutron emission spectra from inelastic neutron scattering on natural nickel at the FIGARO facility have been measured by a double time-of-flight technique. The incident neutrons are produced from the spallation source of the Weapons Neutron Research facility, and their energies are determined by time of flight. The emitted neutrons and gamma rays are detected by 16 liquid scintillators and one high-resolution germanium or one barium-fluoride detector, respectively. The results for incident neutron energies from 2 to 10 MeV are compared with predictions of nuclear model calculations performed with the code EMPIRE-II. Finally, the level density parameters 'a' and '{Delta}E' are extracted.

  4. Observation of events with an energetic forward neutron in deep inelastic scattering at HERA

    NASA Astrophysics Data System (ADS)

    Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Okrasinski, J. R.; Repond, J.; Stanek, R.; Talaga, R. L.; Zhang, H.; Mattingly, M. C. K.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruni, P.; Cara Romeo, G.; Castellini, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; Polini, A.; Sartorelli, G.; Zamora Garcia, Y.; Zichichi, A.; Amelung, C.; Bornheim, A.; Crittenden, J.; Deffner, R.; Doeker, T.; Eckert, M.; Feld, L.; Frey, A.; Geerts, M.; Grothe, M.; Hartmann, H.; Heinloth, K.; Heinz, L.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Mengel, S.; Paul, E.; Pfeiffer, M.; Rembser, Ch.; Schramm, D.; Stamm, J.; Wedemeyer, R.; Campbell-Robson, S.; Cassidy, A.; Cottingham, W. N.; Dyce, N.; Foster, B.; George, S.; Hayes, M. E.; Heath, G. P.; Heath, H. F.; Piccioni, D.; Roff, D. G.; Tapper, R. J.; Yoshida, R.; Arneodo, M.; Ayad, R.; Capua, M.; Garfagnini, A.; Iannotti, L.; Schioppa, M.; Susinno, G.; Caldwell, A.; Cartiglia, N.; Jing, Z.; Liu, W.; Parsons, J. A.; Titz, S.; Sciulli, F.; Straub, P. B.; Wai, L.; Yang, S.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Jakubowski, Z.; Przybycień, M. B.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajaç, J.; Duliński, Z.; Kotański, A.; Abbiendi, G.; Bauerdick, L. A. T.; Behrens, U.; Beier, H.; Bienlein, J. K.; Cases, G.; Deppe, O.; Desler, K.; Drews, G.; Flasiński, M.; Gilkinson, D. J.; Glasman, C.; Göttlicher, P.; Große-Knetter, J.; Haas, T.; Hain, W.; Hasell, D.; Heßling, H.; Iga, Y.; Johnson, K. F.; Joos, P.; Kasemann, M.; Klanner, R.; Koch, W.; Kötz, U.; Kowalski, H.; Labs, J.; Ladage, A.; Löhr, B.; Löwe, M.; Lüke, D.; Mainusch, J.; Mańczak, O.; Milewski, J.; Monteiro, T.; Ng, J. S. T.; Notz, D.; Ohrenberg, K.; Poitrzkowski, K.; Roco, M.; Rohde, M.; Roldán, J.; Schneekloth, U.; Schulz, W.; Selonke, F.; Surrow, B.; Voß, T.; Westphal, D.; Wolf, G.; Wollmer, U.; Youngman, C.; Zeuner, W.; Grabosch, H. J.; Kharchilava, A.; Mari, S. M.; Meyer, A.; Schlenstedt, S.; Wulff, N.; Barbagli, G.; Gallo, E.; Pelfer, P.; Maccarrone, G.; De Pasquale, S.; Votano, L.; Bamberger, A.; Eisenhardt, S.; Trefzger, T.; Wölfle, S.; Bromley, J. T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Saxon, D. H.; Sinclair, L. E.; Utley, M. L.; Wilson, A. S.; Dannemann, A.; Holm, U.; Horstmann, D.; Sinkus, R.; Wick, K.; Burow, B. D.; Hagge, L.; Lohrmann, E.; Poelz, G.; Schott, W.; Zetsche, F.; Bacon, T. C.; Brümmer, N.; Butterworth, I.; Harris, V. L.; Howell, G.; Hung, B. H. Y.; Lamberti, L.; Long, K. R.; Miller, D. B.; Pavel, N.; Prinias, A.; Sedgbeer, J. K.; Sideris, D.; Whitfield, A. F.; Mallik, U.; Wang, M. Z.; Wang, S. M.; Wu, J. T.; Cloth, P.; Filges, D.; An, S. H.; Cho, G. H.; Ko, B. J.; Lee, S. B.; Nam, S. W.; Park, H. S.; Park, S. K.; Kartik, S.; Kim, H.-J.; McNeil, R. R.; Metcalf, W.; Nadendla, V. K.; Barreiro, F.; Fernandez, J. P.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; Martinez, M.; del Peso, J.; Puga, J.; Terron, J.; de Trocóniz, J. F.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Matthews, C. G.; Patel, P. M.; Riveline, M.; Stairs, D. G.; St-Laurent, M.; Ullmann, R.; Zacek, G.; Tsurugai, T.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Yu. A.; Kobrin, V. D.; Korzhavina, I. A.; Kuzmin, V. A.; Lukina, O. Yu.; Proskuryakov, A. S.; Savin, A. A.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Botje, M.; Chlebana, F.; Engelen, J.; de Kamps, M.; Kooijman, P.; Kruse, A.; van Sighem, A.; Tiecke, H.; Verkerke, W.; Vossebeld, J.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; van Woudenberg, R.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Li, C.; Ling, T. Y.; Nylander, P.; Park, I. H.; Romanowski, T. A.; Bailey, D. S.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Harnew, N.; Lancaster, M.; Lindemann, L.; McFall, J. D.; Nath, C.; Noyes, V. A.; Quadt, A.; Tickner, J. R.; Uijterwaal, H.; Walczak, R.; Waters, D. S.; Wilson, F. F.; Yip, T.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; De Giorgi, M.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Zuin, F.; Bulmahn, J.; Feild, R. G.; Oh, B. Y.; Whitmore, J. J.; D'Agostini, G.; Marini, G.; Nigro, A.; Tassi, E.; Hart, J. C.; McCubbin, N. A.; Shah, T. P.; Barberis, E.; Dubbs, T.; Heusch, C.; Van Hook, M.; Lockman, W.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Williams, D. C.; Biltzinger, J.; Seifert, R. J.; Schwarzer, O.; Walenta, A. H.; Zech, G.; Abramowicz, H.; Briskin, G.; Dagan, S.; Levy, A.; Fleck, J. I.; Inuzuka, M.; Ishii, T.; Kuze, M.; Mine, S.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Umemori, K.; Yamada, S.; Yamazaki, Y.; Chiba, M.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Matsushita, T.; Yamauchi, K.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Peroni, C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Benard, F.; Brkic, M.; Fagerstroem, C.-P.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Polenz, S.; Sampson, C. R.; Simmons, D.; Teuscher, R. J.; Butterworth, J. M.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Sutton, M. R.; Lu, B.; Mo, L. W.; Bogusz, W.; Ciborowski, J.; Gajewski, J.; Grzelak, G.; Kasprzak, M.; Krzyżanowski, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Żarnecki, A. F.; Adamus, M.; Coldewey, C.; Eisenberg, Y.; Hochman, D.; Karshon, U.; Revel, D.; Zer-Zion, D.; Badgett, W. F.; Breitweg, J.; Chapin, D.; Cross, R.; Dasu, S.; Foudas, C.; Loveless, R. J.; Mattingly, S.; Reeder, D. D.; Silverstein, S.; Smith, W. H.; Vaiciulis, A.; Wodarczyk, M.; Bhadra, S.; Cardy, M. L.; Fagerstroem, C.-P.; Frisken, W. R.; Furutani, K. M.; Khakzad, M.; Murray, W. N.; Schmidke, W. B.; ZEUS Collaboration

    1996-02-01

    In deep inelastic neutral current scattering of positrons and protons at the center of mass energy of 300 GeV, we observe, with the ZEUS detector, events with a high energy neutron produced at very small scattering angles with respect to the proton direction. The events constitute a fixed fraction of the deep inelastic, neutral current event sample independent of Bjorken x and Q2 in the range 3 · 10 -4 < xBJ < 6 · 10 -3 and 10 < Q2 < 100 GeV 2.

  5. Offer search deviations from Newton's law of gravity using low-energy neutrons

    NASA Astrophysics Data System (ADS)

    Alexandrov, Yu

    2012-03-01

    Information about the planned experiment at the reactor IBR-2M (installation YuMO) dedicated to finding differs from the Newtonian law of gravitation at small (atomic) distances reported. The experiment is to study the energy dependence of the scattering length on the matter with a very small length of pure nuclear scattering (e.g. by a mixture of isotopes of tungsten), allowing thereby increasing the relative contribution of gravitational scattering. At the concentration of tungsten-186 of about 90% in the mixture, nuclear scattering length may to turn to zero at low energies. Relying on the accuracy of existing experiments it can argued that not Newtonian gravitational scattering can be detected if the scattering length is more than 10-16 or 10-17cm. Estimates show that in the theoretical model associated with the length of the electroweak interaction the amplitude of the gravitational scattering of neutrons in the Born approximation may be in the region from 10-11 to 10-21 cm. The magnitude of usual Newtonian gravitational scattering is 10-32 cm, i.e. significantly less.

  6. Vibrational properties and phase transitions in II-VI materials: lattice dynamics, ab initio studies and inelastic neutron scattering measurements.

    PubMed

    Basak, Tista; Rao, Mala N; Gupta, M K; Chaplot, S L

    2012-03-21

    Inelastic neutron scattering measurements were carried out to determine the phonon density of states of ZnSe and interpreted with lattice dynamical computations (ab initio as well as a potential model). Calculations are also reported for other II-VI compounds, ZnTe and ZnS. Vibrational (phonon spectra and Grüneisen parameters), and thermal (negative thermal expansion and non-Debye specific heat) properties have been calculated and found to be in good agreement with available experimental data. This model has been further employed to study the pressure-induced solid-solid phase transitions exhibited by these compounds and the results have been compared with experimental data. Total energy calculations for zincblende and SC16 phases of ZnSe were carried out employing the pseudopotential approach under the local density approximation (LDA) as well as the generalized gradient approximation (GGA). The density functional perturbation theory is applied to study the vibrational properties of the zincblende and SC16 phases of ZnSe. An investigation of the pressure dependence of the phonon frequencies shows that the existence of the (experimentally undetected) SC16 phase as a thermodynamically stable high pressure phase is impeded due to dynamical instabilities. A detailed investigation of the polarization of phonons of different energies for the various phases of these compounds indicates that in the case of the zincblende phase the low energy modes are librational, while in the rocksalt phase the low energy modes are bending modes. Further, in ZnTe the low energy bending modes display a larger amplitude of bending than that in ZnSe and ZnS. PMID:22354098

  7. Low-energy neutron spectrometer using position sensitive proportional counter—Feasibility study based on numerical analysis

    NASA Astrophysics Data System (ADS)

    Murata, I.; Miyamaru, H.

    2008-05-01

    There is no direct technique to measure a neutron energy spectrum, particularly in the lower energy region, because the reaction Q value for detection is much larger than the neutron energy to be measured. However, such techniques are becoming a necessity, for example, in medical applications such as boron neutron capture therapy. In this study, a new spectrometer to measure low-energy neutrons (from thermal to 100 eV) is investigated numerically. We propose a unique approach of estimating the neutron energy spectrum by analyzing the distribution of neutron detection depths in the detector using an exact relation between the neutron energy and nuclear reaction cross-section. The proposed spectrometer has been established to be feasible to manufacture. The conversion performance of the neutron detection depth distribution to the neutron energy spectrum has also been proven to be acceptable, with the unfolding process based on Bayes' theorem, even though the detector response function is non-distinctive (without peaks or edges). The present spectrometer is now under development, and its practical performance will be reported as soon as the prototype detector is completed.

  8. Structure and dynamics of cadmium telluride studied by x-ray and inelastic neutron scattering

    SciTech Connect

    Niedziela, Jennifer L; Stone, Matthew B

    2014-01-01

    We present a combined study of density functional theory, x-ray diffraction, and inelastic neutron scattering examining the temperature dependent structure and lattice dynamics of commercially available cadmium telluride. A subtle change in the structure is evinced near 80~K, which manifests also in the measured phonon density of states. There is no change to the long-range ordered structure. The implications of the change in relation to structural defects are discussed.

  9. Structure and dynamics of cadmium telluride studied by x-ray and inelastic neutron scattering

    SciTech Connect

    Niedziela, J. L.; Stone, M. B.

    2014-09-08

    We present a combined study of density functional theory, x-ray diffraction, and inelastic neutron scattering examining the temperature dependent structure and lattice dynamics of commercially available cadmium telluride. A subtle change in the structure is evinced near 80 K, which manifests also in the measured phonon density of states. There is no change to the long-range ordered structure. The implications of the change in relation to structural defects are discussed.

  10. Anomalous vibrational modes in acetanilide as studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Barthes, Mariette; Eckert, Juegen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

    1992-10-01

    A study of the anomalous modes in acetanilide and five deuterated derivatives by incoherent inelastic neutron scattering is reported. These data show that the dynamics of the amide and methyl groups influence each other. In addition, the anomalous temperature behaviour of the NH out-of-plane bending mode is confirmed. These observations suggest that the self-trapping mechanism in ACN may be more complex than hitherto assumed.

  11. Analysis of inelastic neutron scattering spectra from a time-of-flight spectrometer with filter detector

    SciTech Connect

    Vorderwisch, P.; Mezei, F.; Eckert, J.; Goldstone, J.A.

    1986-01-01

    Inelastic neutron scattering spectra obtained from time-of-flight spectrometers with filter detector suffer in energy resolution from a long time-of-flight tail in the filter response function. A mathematical method is described which removes this tail in measured spectra. The energy resolution can thereby be adapted for each part of the spectrum. Applications of the method to data taken at the LANSCE pulsed spallation source are presented.

  12. Inelastic neutron scattering investigation of crystal-field splittings in UBr 3

    NASA Astrophysics Data System (ADS)

    Murasik, A.; Furrer, A.

    1980-10-01

    An inelastic neutron scattering technique was used to measure the crystal-field splittings in UBr 3 at various temperatures and momentum transfers. In the interpretation of the observed energy spectra it turns out that the Russell-Saunders coupling scheme is a reasonable approximation. The crystal-field level scheme could be unambiguously assigned. The detailed nature of the crystal-field transition from the ground state to the first-excited state is not yet fully understood.

  13. BAMBUS: a new inelastic multiplexed neutron spectrometer for PANDA

    NASA Astrophysics Data System (ADS)

    Lim, J. A.; Siemensmeyer, K.; Čermák, P.; Lake, B.; Schneidewind, A.; Inosov, D. S.

    2015-03-01

    We report on plans for a multiplexed neutron analyser option for the PANDA spectrometer. The key design concept is to have many analysers positioned to give a large coverage in the scattering plane, and multiple arcs of these analysers to measure different energy transfers simultaneously. The main goal is to bring intensity gains and improved reciprocal-space and energy mapping capabilities to the existing cold triple-axis spectrometer.

  14. Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data

    NASA Astrophysics Data System (ADS)

    Flammini, D.; Pietropaolo, A.; Senesi, R.; Andreani, C.; McBride, F.; Hodgson, A.; Adams, M. A.; Lin, L.; Car, R.

    2012-01-01

    The spherical momentum distribution of the protons in ice is extracted from a high resolution deep inelastic neutron scattering experiment. Following a recent path integral Car-Parrinello molecular dynamics study, data were successfully interpreted in terms of an anisotropic Gaussian model, with a statistical accuracy comparable to that of the model independent scheme used previously, but providing more detailed information on the three dimensional potential energy surface experienced by the proton. A recently proposed theoretical concept is also employed to directly calculate the mean force from the experimental neutron Compton profile, and to evaluate the accuracy required to unambiguously resolve and extract the effective proton potential from the experimental data.

  15. Density of phonon states in solid parahydrogen from inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Colognesi, D.; Celli, M.; Zoppi, M.

    2004-03-01

    We have measured the inelastic neutron scattering spectrum of solid parahydrogen (at low pressure and T=13.3 K) using the thermal original spectrometer with cylindrical analyzers spectrometer at the ISIS pulsed neutron source (UK). From the experimental spectrum we have obtained the parahydrogen density of phonon states which has been compared with the estimates available in the literature. The present determination improves substantially the previous experimental scenario from the point of view of both statistics and accuracy. The comparison with the most recent estimate obtained from a quantum mechanical simulation of the molecular dynamics calls for an improvement of the computational methods.

  16. The sensitivity of LaBr3:Ce scintillation detectors to low energy neutrons: Measurement and Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Tain, J. L.; Agramunt, J.; Algora, A.; Aprahamian, A.; Cano-Ott, D.; Fraile, L. M.; Guerrero, C.; Jordan, M. D.; Mach, H.; Martinez, T.; Mendoza, E.; Mosconi, M.; Nolte, R.

    2015-02-01

    The neutron sensitivity of a cylindrical ⊘1.5 in.×1.5 in. LaBr3:Ce scintillation detector was measured using quasi-monoenergetic neutron beams in the energy range from 40 keV to 2.5 MeV. In this energy range the detector is sensitive to γ-rays generated in neutron inelastic and capture processes. The experimental energy response was compared with Monte Carlo simulations performed with the Geant4 simulation toolkit using the so-called High Precision Neutron Models. These models rely on relevant information stored in evaluated nuclear data libraries. The performance of the Geant4 Neutron Data Library as well as several standard nuclear data libraries was investigated. In the latter case this was made possible by the use of a conversion tool that allowed the direct use of the data from other libraries in Geant4. Overall it was found that there was good agreement with experiment for some of the neutron data bases like ENDF/B-VII.0 or JENDL-3.3 but not with the others such as ENDF/B-VI.8 or JEFF-3.1.

  17. Understanding inelastically scattered neutrons from water on a time-of-flight small-angle neutron scattering (SANS) instrument

    NASA Astrophysics Data System (ADS)

    Do, Changwoo; Heller, William T.; Stanley, Christopher; Gallmeier, Franz X.; Doucet, Mathieu; Smith, Gregory S.

    2014-02-01

    It is generally assumed by most of the small-angle neutron scattering (SANS) user community that a neutron's energy is unchanged during SANS measurements. Here, the scattering from water, specifically light water, was measured on the EQ-SANS instrument, a time-of-flight (TOF) SANS instrument located at the Spallation Neutron Source of Oak Ridge National Laboratory. A significant inelastic process was observed in the TOF spectra of neutrons scattered from water. Analysis of the TOF spectra from the sample showed that the scattered neutrons have energies consistent with room-temperature thermal energies (~20 meV) regardless of the incident neutron's energy. With the aid of Monte Carlo particle transport simulations, we conclude that the thermalization process within the sample results in faster neutrons that arrive at the detector earlier than expected based on the incident neutron energies. This thermalization process impacts the measured SANS intensities in a manner that will ultimately be sample- and temperature-dependent, necessitating careful processing of the raw data into the SANS cross-section.

  18. Cross section for inelastic neutron ''acceleration'' by {sup 178}Hf{sup m2}

    SciTech Connect

    Karamian, S. A.; Carroll, J. J.

    2011-02-15

    The scattering of thermal neutrons from isomeric nuclei may include events in which the outgoing neutrons have increased kinetic energy. This process has been called inelastic neutron acceleration, or INNA, and occurs when the final nucleus, after emission of the neutron, is left in a state with lower energy than that of the isomer. The result, therefore, is an induced depletion of the isomer to the ground state. A cascade of several {gamma}'s must accompany the neutron emission to release the high angular momentum of the initial isomeric state. INNA was previously observed in a few cases, and the measured cross sections were only in modest agreement with theoretical estimates. The most recent measurement of an INNA cross section was {sigma}{sub INNA}=258{+-}58 b for neutron scattering by {sup 177}Lu{sup m}. In the present work, an INNA cross section of {sigma}{sub INNA}=168 {+-} 33 b was deduced from measurements of the total burnup of the high-spin, four-quasiparticle isomer {sup 178}Hf{sup m2} during irradiation by thermal neutrons. Statistical estimates for the probability of different reaction channels past neutron absorption were used in the analysis, and the deduced {sigma}{sub INNA} was compared to the theoretically predicted cross section.

  19. DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data

    PubMed Central

    Azuah, Richard Tumanjong; Kneller, Larry R.; Qiu, Yiming; Tregenna-Piggott, Philip L. W.; Brown, Craig M.; Copley, John R. D.; Dimeo, Robert M.

    2009-01-01

    National user facilities such as the NIST Center for Neutron Research (NCNR) require a significant base of software to treat the data produced by their specialized measurement instruments. There is no universally accepted and used data treatment package for the reduction, visualization, and analysis of inelastic neutron scattering data. However, we believe that the software development approach adopted at the NCNR has some key characteristics that have resulted in a successful software package called DAVE (the Data Analysis and Visualization Environment). It is developed using a high level scientific programming language, and it has been widely adopted in the United States and abroad. In this paper we describe the development approach, elements of the DAVE software suite, its usage and impact, and future directions and opportunities for development.

  20. Elastic and inelastic neutron scattering cross sections for fission reactor applications

    SciTech Connect

    Hicks, S. F.; Combs, B.; Downes, L.; Girgis, J.; Kersting, L. J.; Lueck, C. J.; McDonough, P. J.; Schniederjan, J.; Sidwell, L.; Sigillito, A. J.; Chakraborty, A.; Crider, B. P.; Kumar, A.; McEllistrem, M. T.; Peters, E. E.; Prados-Estevz, F. M.; Vanhoy, J. R.; Watts, D.; Yates, S. W.

    2013-04-19

    Nuclear data important for the design and development of the next generation of light-water reactors and future fast reactors include neutron elastic and inelastic scattering cross sections on important structural materials, such as Fe, and on coolant materials, such as Na. These reaction probabilities are needed since neutron reactions impact fuel performance during irradiations and the overall efficiency of reactors. While neutron scattering cross sections from these materials are available for certain incident neutron energies, the fast neutron region, particularly above 2 MeV, has large gaps for which no measurements exist, or the existing uncertainties are large. Measurements have been made at the University of Kentucky Accelerator Laboratory to measure neutron scattering cross sections on both Fe and Na in the region where these gaps occur and to reduce the uncertainties on scattering from the ground state and first excited state of these nuclei. Results from measurements on Fe at incident neutron energies between 2 and 4 MeV will be presented and comparisons will be made to model calculations available from data evaluators.

  1. Elastic and inelastic neutron scattering cross sections for fission reactor applications

    NASA Astrophysics Data System (ADS)

    Hicks, S. F.; Chakraborty, A.; Combs, B.; Crider, B. P.; Downes, L.; Girgis, J.; Kersting, L. J.; Kumar, A.; Lueck, C. J.; McDonough, P. J.; McEllistrem, M. T.; Peters, E. E.; Prados-Estevz, F. M.; Schniederjan, J.; Sidwell, L.; Sigillito, A. J.; Vanhoy, J. R.; Watts, D.; Yates, S. W.

    2013-04-01

    Nuclear data important for the design and development of the next generation of light-water reactors and future fast reactors include neutron elastic and inelastic scattering cross sections on important structural materials, such as Fe, and on coolant materials, such as Na. These reaction probabilities are needed since neutron reactions impact fuel performance during irradiations and the overall efficiency of reactors. While neutron scattering cross sections from these materials are available for certain incident neutron energies, the fast neutron region, particularly above 2 MeV, has large gaps for which no measurements exist, or the existing uncertainties are large. Measurements have been made at the University of Kentucky Accelerator Laboratory to measure neutron scattering cross sections on both Fe and Na in the region where these gaps occur and to reduce the uncertainties on scattering from the ground state and first excited state of these nuclei. Results from measurements on Fe at incident neutron energies between 2 and 4 MeV will be presented and comparisons will be made to model calculations available from data evaluators.

  2. Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering

    SciTech Connect

    Kathmann, Shawn M.; Parvanov, Vencislav M.; Schenter, Gregory K.; Stowe, Ashley C.; Daemen, Luke L.; Hartl, Monika A.; Linehan, John C.; Hess, Nancy J.; Karkamkar, Abhijeet J.; Autrey, Thomas

    2009-02-26

    Incoherent inelastic neutron scattering can be used as a sensitive probe of the vibrational dynamics in chemical hydrogen storage materials. Thermal neutron energy loss measurements at 10K are presented and compared to the vibrational power spectrum calculated using ab initio molecular dynamics of pure and deuterated ammonia borane (NH3BH3, NH3BD3, and ND3BH3). A harmonic vibrational analysis on NH3BH3 clusters was also explored to check for consistency with experiment and the power spectrum. The measured neutron spectra and computed ab initio power spectrum compare extremely well (50 to 500 cm-1) and some assignment of modes to simple motion is possible, however, it is found that the lowest modes (below 250 cm-1) are dominated by collective motion. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  3. Elastic and Inelastic Neutron Scattering with a C7LYC Array

    NASA Astrophysics Data System (ADS)

    Wilson, G. L.; Brown, T.; Chowdhury, P.; Doucet, E.; Lister, C. J.; D'Olympia, N.; Devlin, M.; Mosby, S.

    2015-10-01

    A scintillator array of 16 1'' ×1'' Cs2LiYCl6 (CLYC) detectors has been commissioned for low energy nuclear science. Standard CLYC crystals detect both gamma rays and neutrons rays with excellent pulse shape discrimination, with thermal neutrons detected via the 6Li(n, α)t reaction. Our discovery of spectroscopy-grade response of CLYC for fast neutrons via the 35Cl(n,p) reaction, with a pulse height resolution of under 10 % in the < 8 MeV range, led to our present array of 7Li enriched C7LYC detectors, where the large thermal neutron response is essentially eliminated. While the intrinsic efficiency of C7LYC for fast neutron detection is low, the array can be placed near the target since a long TOF arm is no longer needed for neutron energy measurement, thus recovering efficiency through increased solid angle coverage. The array was recently deployed at Los Alamos to test its capability in measuring differential scattering cross sections as a function of energy for 56Fe and 238U. The incident energy from a white neutron source was measured via TOF, and the scattered neutron energy via the pulse height. Techniques, analysis and first results will be discussed. Supported by the NNSA Stewardship Science Academic Alliance Program under Grant DE-NA00013008.

  4. γ production and neutron inelastic scattering cross sections for 76Ge

    NASA Astrophysics Data System (ADS)

    Rouki, C.; Domula, A. R.; Drohé, J. C.; Koning, A. J.; Plompen, A. J. M.; Zuber, K.

    2013-11-01

    The 2040.7-keV γ ray from the 69th excited state of 76Ge was investigated in the interest of Ge-based double-β-decay experiments like the Germanium Detector Array (GERDA) experiment. The predicted transition could interfere with valid 0νββ events at 2039.0 keV, creating false signals in large-volume 76Ge enriched detectors. The measurement was performed with the Gamma Array for Inelastic Neutron Scattering (GAINS) at the Geel Electron Linear Accelerator (GELINA) white neutron source, using the (n,n'γ) technique and focusing on the strongest γ rays originating from the level. Upper limits obtained for the production cross section of the 2040.7-keV γ ray showed no possible influence on GERDA data. Additional analysis of the data yielded high-resolution cross sections for the low-lying states of 76Ge and related γ rays, improving the accuracy and extending existing data for five transitions and five levels. The inelastic scattering cross section for 76Ge was determined for incident neutron energies up to 2.23 MeV, significantly increasing the energy range for which experimental data are available. Comparisons with model calculations using the talys code are presented indicating that accounting for the recently established asymmetric rotor structure should lead to an improved description of the data.

  5. The design of the inelastic neutron scattering mode for the Extreme Environment Diffractometer with the 26 T High Field Magnet

    NASA Astrophysics Data System (ADS)

    Bartkowiak, Maciej; Stüßer, Norbert; Prokhnenko, Oleksandr

    2015-10-01

    The Extreme Environment Diffractometer is a neutron time-of-flight instrument, designed to work with a constant-field hybrid magnet capable of reaching fields over 26 T, unprecedented in neutron science; however, the presence of the magnet imposes both spatial and technical limitations on the surrounding instrument components. In addition to the existing diffraction and small-angle neutron scattering modes, the instrument will operate also in an inelastic scattering mode, as a direct time-of-flight spectrometer. In this paper we present the Monte Carlo ray-tracing simulations, the results of which illustrate the performance of the instrument in the inelastic-scattering mode. We describe the focussing neutron guide and the chopper system of the existing instrument and the planned design for the instrument upgrade. The neutron flux, neutron spatial distribution, divergence distribution and energy resolution are calculated for standard instrument configurations.

  6. The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica.

    PubMed

    McFarlane, Andrew R; Geller, Hannah; Silverwood, Ian P; Cooper, Richard I; Watkin, David J; Parker, Stewart F; Winfield, John M; Lennon, David

    2016-06-29

    A modern industrial route for the manufacture of methyl methacrylate involves the reaction of methyl propanoate and formaldehyde over a silica-supported Cs catalyst. Although the process has been successfully commercialised, little is known about the surface interactions responsible for the forward chemistry. This work concentrates upon the interaction of methyl propanoate over a representative silica. A combination of infrared spectroscopy, inelastic neutron scattering, DFT calculations, X-ray diffraction and temperature-programmed desorption is used to deduce how the ester interacts with the silica surface. PMID:27182815

  7. Application of Geant4 simulation for analysis of soil carbon inelastic neutron scattering measurements.

    PubMed

    Yakubova, Galina; Kavetskiy, Aleksandr; Prior, Stephen A; Torbert, H Allen

    2016-07-01

    Inelastic neutron scattering (INS) was applied to determine soil carbon content. Due to non-uniform soil carbon depth distribution, the correlation between INS signals with some soil carbon content parameter is not obvious; however, a proportionality between INS signals and average carbon weight percent in ~10cm layer for any carbon depth profile is demonstrated using Monte-Carlo simulation (Geant4). Comparison of INS and dry combustion measurements confirms this conclusion. Thus, INS measurements give the value of this soil carbon parameter. PMID:27124122

  8. High-frequency collective excitations in molten and glassy Te studied by inelastic neutron scattering

    SciTech Connect

    Ruiz-Martin, M. D.; Jimenez-Ruiz, M.; Bermejo, F. J.

    2006-03-01

    The spectra of collective excitations of liquid and glassy tellurium have been studied by means of inelastic neutron scattering. Here we report on the dynamics of liquid Te as measured at two different temperatures, just above melting (T{sub m}=723 K) and at {approx}1000 K as well as the glass that is studied at room temperature. Estimates for the velocity of propagating excitations for both temperatures have been obtained from the experimental data, and a contrasting behavior is found with respect to anomalies shown by the adiabatic sound velocity measured by ultrasound methods. The origin of such differences is finally discussed.

  9. Model for neutron total cross-section at low energies for nuclear grade graphite

    NASA Astrophysics Data System (ADS)

    Galván Josa, V. M.; Dawidowski, J.; Santisteban, J. R.; Malamud, F.; Oliveira, R. G.

    2015-04-01

    At subthermal neutron energies, polycrystalline graphite shows a large total cross-section due to small angle scattering processes. In this work, a new methodology to determine pore size distributions through the neutron transmission technique at subthermal energies is proposed and its sensitivity is compared with standard techniques. A simple model based on the form factor for spherical particles, normally used in the Small Angle Neutron Scattering technique, is employed to calculate the contribution of small angle effect to the total scattering cross-section, with the width and center of the radii distributions as free parameters in the model. Small Angle X-ray Scattering experiments were performed to compare results as a means to validate the method. The good agreement reached reveals that the neutron transmission technique is a useful tool to explore small angle scattering effects. This fact can be exploited in situations where large samples must be scanned and it is difficult to investigate them with conventional methods. It also opens the possibility to apply this method in energy-resolved neutron imaging. Also, since subthermal neutron transmission experiments are perfectly feasible in small neutron sources, the present findings open new possibilities to the work done in such kind of facilities.

  10. Development of a pMOSFET sensor with a Gd converter for low energy neutron dosimetry.

    PubMed

    Lee, N H; Kim, S H; Youk, G U; Park, I J; Kim, Y M

    2004-01-01

    A pMOSFET having a 10 microm thick Gadolinium (Gd) layer has been invented as a slow neutron sensor. When slow neutrons are incident to the Gd layer, conversion electrons, which generate electron-hole pairs in the SiO2 layer of the pMOSFET, are generated by a neutron capture process. The holes are easily trapped in the oxide and act as positive-charge centres in the oxide. Due to the induced charges, the threshold turn-on voltage of the pMOSFET is changed. The developed sensors were tested at a neutron beam port of the HANARO research reactor and a 60Co irradiation facility to investigate slow neutron response and gamma ray contamination, respectively. The resultant voltage change was proportional to the accumulated neutron dose and it was very sensitive to slow neutrons. Moreover, ionising radiation contamination was negligible. It can also be used in a mixed radiation field by subtracting the voltage change of a pMOSFET without Gd from that of the Gd-pMOSFET. PMID:15353659

  11. Baseline design of a low energy neutron source at ESS-Bilbao

    NASA Astrophysics Data System (ADS)

    Sordo, F.; Fernandez-Alonso, F.; Gonzalez, Miguel A.; Ghiglino, A.; Magán, M.; Terrón, S.; Martínez, F.; de Vicente, J. P.; Vivanco, R.; Bermejo, F. J.; Perlado, J. M.

    2014-10-01

    This article briefly describes the basic design of the ESS-Bilbao neutron target station as well as its expected neutronic performance. The baseline engineering design, associated ancillary systems, and plant layout for the facility is now complete. A rotating target composed of twenty beryllium plates has been selected as the best choice in terms of both neutron yield and engineering complexity. It will provide neutron beams with a source term of 1015 n s-1 resulting from the direct 9Be(p, xn) reaction using a 75 mA proton beam at 50 MeV. The design envisages a target station equipped with two fully optimized moderators capable of withstanding a proton-beam power of 112 kW. This design is flexible enough to accommodate future upgrades in final proton energy. The envisaged neutron-beam brightness will enable several applications, including the use of cold and thermal neutrons for condensed matter research as well as fast-neutron irradiation studies. We close by discussing the role that this facility may play once the European Spallation Source becomes operational in Lund, Sweden.

  12. Level crossings and zero-field splitting in the {Cr8}-cubane spin-cluster studied using inelastic neutron scattering and magnetization

    SciTech Connect

    Vaknin, D.; Garlea, Vasile O; Demmel, F.; Mamontov, Eugene; Nojiri, H; Martin, Catalin; Chiorescu, Irinel; Qiu, Y.; Luban, M.; Kogerler, P.; Fielden, J.; Engelhardt, L; Rainey, C

    2010-01-01

    Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It is noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.

  13. Calibration and absolute normalization procedure of a new Deep Inelastic Neutron Scattering spectrometer

    NASA Astrophysics Data System (ADS)

    Rodríguez Palomino, L. A.; Blostein, J. J.; Dawidowski, J.

    2011-08-01

    We describe the calibration process of a new Deep Inelastic Neutron Scattering (DINS) spectrometer, recently implemented at the Bariloche Electron LINAC (Argentina), consisting in the determination of the incident neutron spectrum, dead-time and electronic delay of the data acquisition line, and detector bank efficiency. For this purpose, samples of lead, polyethylene and graphite of different sizes were employed. Their measured spectra were corrected by multiple scattering, attenuation and detector efficiency effects, by means of an ad hoc Monte Carlo code. We show that the corrected spectra are correctly scaled with respect to the scattering power of the tested materials within a 2% of experimental error, thus allowing us to define an experimental constant that links the arbitrary experimental scale (number of recorded counts per monitor counts) with the involved cross-sections. The present work also serves to analyze the existence of possible sources of systematic errors.

  14. Quasi elastic and inelastic neutron scattering study of vitamin C aqueous solutions

    NASA Astrophysics Data System (ADS)

    Migliardo, F.; Branca, C.; Magazù, S.; Migliardo, P.; Coppolino, S.; Villari, A.; Micali, N.

    2002-02-01

    In this paper, new results obtained by quasi elastic and inelastic neutron scattering experiments performed on vitamin C ( L-ascorbic acid)/H 2O mixtures are reported. The data analysis of the QENS measurements, by a separation of the diffusive dynamics of hydrated L-ascorbic acid from that of water, furnishes quantitative evidences of a random jump diffusion motion of vitamin C and shows that the water dynamics is strongly affected by the presence of L-ascorbic acid. Concerning the INS experiment, we are able, through the behaviour of neutron spectra across the glass transition temperature ( T g≈233 K for the vitamin C/water system), to collocate the investigated system in the Angell “strong-fragile” scheme.

  15. Neutron Inelastic Scattering Measurements for Na, Ge, Zr, Mo and U

    NASA Astrophysics Data System (ADS)

    Bacquias, A.; Dessagne, Ph.; Kerveno, M.; Rudolf, G.; Plompen, A. J. M.; Drohé, J. C.; Rouki, C.; Nankov, N.; Nyman, M.; Borcea, C.; Negret, A.; Archier, P.; De Saint Jean, C.; Noguère, G.; Vaglio-Gaudard, C.; Koning, A.; Domula, A.; Zuber, K.; Leal, L. C.

    2014-05-01

    Studies for advanced reactor systems such as sodium-cooled fast reactors designed for recycling of high level waste, accelerator driven systems for transmutation, and systems envisioning the use of the Th/U fuel cycle impose tight requirements on nuclear data for accurate predictions of their operation and safety characteristics. Among the identified needs established by sensitivity studies, neutron inelastic scattering on the main structural materials and actinides and some (n,xn) cross sections for actinides feature prominently. Prompt-gamma spectroscopy and time-of-flight techniques were used to measure (n,xnγ) cross-sections of interest. Experiments were performed at the GELINA neutron time-of-flight facility of IRMM. Results for 235U and 23Na are briefly recalled; pertaining theoretical discussions are mentioned to explain observations concerning 238U. The status of studies on 76Ge, Zr and Mo is also reported.

  16. Multiferroic phase of doped delafossite CuFeO2 identified using inelastic neutron scattering

    SciTech Connect

    Haraldsen, Jason T; Ye, Feng; Fishman, Randy Scott; Fernandez-Baca, Jaime A; Yamaguchi, Y.; Kimura, K.; Kimura, T.

    2010-01-01

    Multiferroic materials allow the electric polarization to be controlled by switching the direction of magnetic ordering and consequently offer prospects for many new technological applications [1 4]. Because multiferroic behavior has been found in materials that exhibit complex (non-collinear and incommensurate) magnetic order, it is essential to know the spin arrangement of the ground states in these materials [4 9]. In many cases, elastic neutron scattering measurements alone are not sufficient to distinguish among several potential complex magnetic states. We report inelastic neutron scattering (INS) measurements that provide a distinct dynamical fingerprint for the multiferroic ground state of 3.5% Ga-doped CuFeO2. The complex ground state is stabilized by the displacement of the oxygen atoms [10], which are also responsible for the multiferroic coupling predicted by Arima [8]. By comparing the observed and calculated spectrum of spin excitations, we conclude that the magnetic ground state is a distorted screwtype spin configuration. The exchange interactions that stabilize this structure are consistent with those obtained from inelastic measurements [11, 12] on undoped CuFeO2.

  17. Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra

    NASA Astrophysics Data System (ADS)

    Holmes, Jesse Curtis

    Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be

  18. Giant and Low-Energy Dipole Modes in Neutron-Rich Nuclei

    NASA Astrophysics Data System (ADS)

    Rossi, D. M.; Adrich, P.; Aksouh, F.; Alvarez-Pol, H.; Aumann, T.; Benlliure, J.; Böhmer, M.; Boretzky, K.; Casarejos, E.; Chartier, M.; Chatillon, A.; Cortina-Gil, D.; Datta Pramanik, U.; Emling, H.; Ershova, O.; Fernandez-Dominguez, B.; Geissel, H.; Gorska, M.; Heil, M.; Johansson, H.; Junghans, A.; Kiselev, O.; Klimkiewicz, A.; Kratz, J. V.; Kurz, N.; Labiche, M.; Le Bleis, T.; Lemmon, R.; Litvinov, Yu. A.; Mahata, K.; Maierbeck, P.; Movsesyan, A.; Nilsson, T.; Nociforo, C.; Palit, R.; Paschalis, S.; Plag, R.; Reifarth, R.; Simon, H.; Sümmerer, K.; Wagner, A.; Walus, W.; Weick, H.; Winkler, M.

    2014-09-01

    The E1 strength of exotic Ni isotopes has been measured at the R3B-LAND setup at GSI in Darmstadt. The experimental method relied on Coulomb excitation in inverse kinematics, for beam energies around 500 MeV/u. The excitation energy was reconstructed using the invariant mass, enabling the observation of the GDR and of additional low-lying E1 strength. The analysis of the neutron kinetic energies also allowed the extraction of the branching ratio for the direct neutron decay of 68Ni, amounting to 25(2)%.

  19. FLUKA simulations for low-energy neutron interactions and experimental validation

    NASA Astrophysics Data System (ADS)

    Borio di Tigliole, A.; Cesana, A.; Dolfini, R.; Ferrari, A.; Raselli, G. L.; Sala, P.; Terrani, M.

    2001-08-01

    The response functions of a commercial neutron detector filled with BICRON BC501A liquid scintillator are computed using the FLUKA Monte Carlo program. The simulation results are necessary to perform a direct spectroscopy by unfolding the measured proton recoil spectrum by means of the response functions of the detector using the SAND II code. The measurement of the flux intensity and of the energy distribution of a calibrated AmBe neutron source validates the method showing a good agreement with the known quantities.

  20. Impact of a low-energy enhancement in the gamma-ray strength function on the neutron-capture cross section

    SciTech Connect

    Larsen, A. C.; Goriely, S.

    2010-07-15

    A low-energy enhancement of the gamma-ray strength function in several light and medium-mass nuclei has been observed recently in {sup 3}He-induced reactions. The effect of this enhancement on (n,gamma) cross sections is investigated for stable and unstable neutron-rich Fe, Mo, and Cd isotopes. Our results indicate that the radiative neutron capture cross sections may increase considerably due to the low-energy enhancement when approaching the neutron drip line. This could have non-negligible consequences on r-process nucleosynthesis calculations.

  1. Deep inelastic neutron scattering from orthorhombic ordered HCl: Short-time proton dynamics and anomalous neutron cross sections

    SciTech Connect

    Senesi, R.; Colognesi, D.; Pietropaolo, A.; Abdul-Redah, T.

    2005-08-01

    Deep inelastic neutron scattering measurements from orthorhombic ordered HCl are presented and analyzed in order to clarify the problem of an anomalous deficit in the neutron-proton cross section found in previous experiments on various materials. A reliable model for the HCl short-time single-particle dynamics, including atomic vibrational anisotropies and deviations from the impulsive approximation, is set up. The model HCl response function is transformed into simulated time-of-flight spectra, taking carefully into account the effects of instrumental resolution and the filter absorption profile used for neutron energy analysis. Finally, the experimental values of the anomalous reduction factor for the neutron-proton cross section are extracted by comparing simulated and experimental data. Results show a 34% reduction of the H cross section, varying with the scattering angle in a range centered at 53 deg. In addition, the same approximate procedure used in earlier studies is also employed, providing results in reasonable agreement with the more rigorous ones, and confirming the substantial reliability of the past work on this subject.

  2. Proton vibrational dynamics in lithium imide investigated through incoherent inelastic and Compton neutron scattering.

    PubMed

    Pietropaolo, A; Colognesi, D; Catti, M; Nale, A-C; Adams, M A; Ramirez-Cuesta, A J; Mayers, J

    2012-11-28

    In the present study we report neutron spectroscopic measurements on polycrystalline lithium imide, namely, incoherent inelastic neutron scattering at 20 K, and neutron Compton scattering from 10 K up to room temperature. From the former technique the H-projected density of phonon states up to 100 meV is derived, while the latter works out the spherically averaged single-particle (i.e., H, Li, and N) momentum distributions and, from this, the mean kinetic energies. Only for H at the lowest investigated temperature, non-gaussian components of its momentum distribution are detected. However, these components do not seem directly connected to the system anharmonicity, being fully compatible with the simple N-H bond anisotropy. Neutron data are also complemented by ab initio lattice dynamics simulations, both harmonic and, at room temperature, carried out in the framework of the so-called "quantum colored noise thermostat" method. The single-particle mean kinetic energies in lithium imide as a function of temperature show a quite peculiar behavior at the moment not reproduced by ab initio lattice dynamics methods, at least as far as H and Li are concerned. As matter of fact, neither their low temperature values nor their temperature trends can be precisely explained in terms of standard phonon calculations. PMID:23206005

  3. An integral test of the inelastic cross sections of Pb and Mo using measured neutron spectra

    NASA Technical Reports Server (NTRS)

    Shook, D. F.; Fieno, D.; Ford, C. H.; Wrights, G. N.

    1972-01-01

    Comparison of measurements and calculations of fast neutron spectra from a radioactive neutron source inside spheres of Mo or Pb and from a cylindrical reactor containing a thick Pb or Mo reflector are used as a test of ENDF cross sections. The sphere leakage spectra were measured at a sphere-to-spectrometer distance of 2 meters using a 54 Ci spherical Am-Be neutron source. Reactor leakage spectrum measurements were made at the surface of the ZP-1 reactor when bare, with a Pb radial reflector 21 cm thick, and with a metallic Mo radial reflector 10 cm thick. In the case of the thin Mo sphere there is agreement between the calculation and measurement. The Pb calculation is much lower than the measurement except at the highest neutron energy. Two-dimensional calculations of reactor spectra result indicate that the reactor source is reasonably well known. Significant differences in leakage spectrum shape for both Mo and Pb reflectors suggest that there are large uncertainties in the inelastic cross sections for Pb and some for Mo.

  4. Crystal fields in YbInNi4 determined with magnetic form factor and inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Severing, A.; Givord, F.; Boucherle, J.-X.; Willers, T.; Rotter, M.; Fisk, Z.; Bianchi, A.; Fernandez-Diaz, M. T.; Stunault, A.; Rainford, B. D.; Taylor, J.; Goremychkin, E.

    2011-04-01

    The magnetic form factor of YbInNi4 has been determined via the flipping ratios R with polarized neutron diffraction, and the scattering function S(Q,ω) was measured in an inelastic neutron scattering experiment. Both experiments were performed with the aim of determining the crystal-field scheme. The magnetic form factor clearly excludes the possibility of a Γ7 doublet as the ground state. The inelastic neutron data exhibit two almost equally strong peaks at 3.2 meV and 4.4 meV which points, in agreement with earlier neutron data, toward a Γ8 quartet ground state. Further possibilities such as a quasiquartet ground state are discussed.

  5. Miscibility gap and phonon thermodynamics of Fe-Au alloys studied by inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering

    SciTech Connect

    Muñoz, Jorge A.; Fultz, Brent

    2015-07-23

    Recent measurements of the phonon spectra of several Au-rich alloys of face-centered-cubic Fe-Au using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering are summarized. The Wills-Harrison model, accounting for charge transfer upon alloying, is used to explain the observed negative excess vibrational entropy of mixing, which increases the miscibility gap temperature in the system by an estimated maximum of 550 K and we adjudicate to a charge transfer from the Fe to the Au atoms that results in an increase in the electron density in the free-electron-like states and in stronger sd-hybridization. When Au is the solvent, this softens the Fe–Fe bonds but stiffens the Au–Au and Au–Fe bonds which results in a net stiffening relative to the elemental components.

  6. Combined inelastic neutron scattering and solid state DFT study of dynamics of hydrogen atoms in trioctahedral 1M phlogopite

    SciTech Connect

    Smrčok, Ľubomír; Kolesnikov, Alexander I; Rieder, Milan

    2012-01-01

    Inelastic neutron scattering (INS) was used to study vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50-1000 cm-1 energy range. The INS spectra collected using direct geometry spectrometer SEQUOIA at ORNL were interpreted by means of the solid-state DFT calculations covering both normal mode analysis and molecular dynamics. To optimize the structure and to calculate the vibrational modes under harmonic approximation both a hybrid PBE0 and the AM05 functional were used, while the molecular dynamics calculations (60ps/1fs) were performed only with the computationally less-demanding AM05 functional. The main contributions to the dominant band within ~750-550 cm-1 are symmetric and antisymmetric Mg-O-H bending modes, overlapping with the skeletal stretching and bending modes causing weaker secondary movements of H atoms of inner hydroxyl groups. Signatures of the Mg-O-H bending modes appear down to ~400 cm-1, where a region of octahedra deformation modes starts. These deformations cause just shallow movements of the hydrogen atoms and are mirrored by the modes with close vibrational energies. The region from ~330 cm-1 down to the low energy end of the spectrum portrays induced vibrations of the H atoms caused by deformation of individual polyhedra, translational vibrations of the parts of the 2:1 layer relative one to another, and librational and translational vibrations of the layer. The main difference between the INS spectrum of dioctahedral Al-muscovite and trioctahedral Mg-phlogopite is that the Mg-O-H modes are all assigned to in-plane vibrations of the respective hydrogen atoms.

  7. Combined inelastic neutron scattering and solid-state DFT study of dynamics of hydrogen atoms in trioctahedral 1 M phlogopite

    NASA Astrophysics Data System (ADS)

    Smrčok, L'ubomír; Kolesnikov, Alexander I.; Rieder, Milan

    2012-10-01

    Inelastic neutron scattering (INS) was used to study the vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50-1,000 cm-1 energy range. The INS spectra collected using direct geometry spectrometer SEQUOIA (ORNL) were interpreted by means of the solid-state DFT calculations covering both normal mode analysis and molecular dynamics. To optimize the structure and to calculate the vibrational modes under harmonic approximation, both a hybrid PBE0 and the AM05 functional were used, while the molecular dynamics calculations (60 ps/1 fs) were performed only with the computationally less-demanding AM05 functional. The main contributions to the dominant band within ~750-550 cm-1 are symmetric and antisymmetric Mg-O-H bending modes, overlapping with the skeletal stretching and bending modes causing weaker secondary movements of H atoms of inner hydroxyl groups. Signatures of the Mg-O-H bending modes appear down to ~400 cm-1, where a region of octahedra deformation modes starts. These deformations cause just shallow movements of the hydrogen atoms and are mirrored by the modes with close vibrational energies. The region from ~330 cm-1 down to the low-energy end of the spectrum portrays induced vibrations of the H atoms caused by deformation of individual polyhedra, translational vibrations of the parts of the 2:1 layer relative one to another, and librational and translational vibrations of the layer. The main difference between the INS spectrum of dioctahedral Al-muscovite and trioctahedral Mg-phlogopite is that the Mg-O-H modes are all assigned to in-plane vibrations of the respective hydrogen atoms.

  8. Proton calibration of low energy neutron detectors containing (6)LiF

    NASA Technical Reports Server (NTRS)

    Benton, E. V.; Frank, A. L.

    1995-01-01

    The purpose of the present calibrations is to measure the proton response of the detectors with accelerated beams having energies within the region of maximum intensities in the trapped proton spectrum encountered in near-Earth orbit. This response is compared with the responses of the spaceflight detectors when related to proton exposures. All of the spaceflight neutron measurements have been accompanied by TLD absorbed doses measurements in close proximity within the spacecraft. For purposes of comparison, the spaceflight TLD doses are assumed to be proton doses.

  9. Medical applications of in vivo neutron inelastic scattering and neutron activation analysis: Technical similarities to detection of explosives and contraband

    NASA Astrophysics Data System (ADS)

    Kehayias, J. J.

    2001-07-01

    Nutritional status of patients can be evaluated by monitoring changes in elemental body composition. Fast neutron activation (for N and P) and neutron inelastic scattering (for C and O) are used in vivo to assess elements characteristic of specific body compartments. There are similarities between the body composition techniques and the detection of hidden explosives and narcotics. All samples have to be examined in depth and the ratio of elements provides a "signature" of the chemical of interest. The N/H and C/O ratios measure protein and fat content in the body. Similarly, a high C/O ratio is characteristic of narcotics and a low C/O together with a strong presence of N is a signature of some explosives. The available time for medical applications is about 20 min—compared to a few seconds for the detection of explosives—but the permitted radiation exposure is limited. In vivo neutron analysis is used to measure H, O, C, N, P, Na, Cl, and Ca for the study of the mechanisms of lean tissue depletion with aging and wasting diseases, and to investigate methods of preserving function and quality of life in the elderly.

  10. Inelastic Neutron Scattering Study of Ce3Sn and Ce3In

    NASA Astrophysics Data System (ADS)

    Wang, C. H.; Lawrence, J. M.; Christianson, A. D.; Goremychkin, E. A.; Bauer, E. D.; de Souza, N. R.; Kolesnikov, A. I.

    2009-03-01

    In Ce3Sn and Ce3In, the linear coefficients of specific heat γ are 260 mJ/mol Ce-K^2 and 700 mJ/mol Ce-K^2, respectively. The Wilson ratio is 7.0 for Ce3Sn and 11.5 for Ce3In. Such large values suggest the presence of ferromagnetic correlations in the ground state. Hence, this system is a potential candidate for studying the magnetic instability at a quantum critical point (QCP). As an initial measurement, we have measured the magnetic inelastic neutron scattering line shape of polycrystalline samples to determine the crystal field (CF) excitations. The low temperature spectrum of both Ce3Sn and Ce3In consist of a quasi- elastic line and two obvious inelastic lines resulting from the two excited crystal field doublets of Ce^3+ in the tetragonal symmetry. The quasi-elastic linewidth,which is related to the Kondo scale, is 3.2meV for Ce3Sn and 1.5meV for Ce3In, consistent with the linear coefficients of specific heat. For Ce3Sn the two CF excitations are at 20meV and 35meV while for Ce3In, the splitting is much larger giving the two excitations at 15meV and 47meV.

  11. Inelastic Neutron Scattering Studies of the Dynamics of Glass-Forming Materials in Confinement

    NASA Astrophysics Data System (ADS)

    Zorn, Reiner

    2015-03-01

    The study of the dynamics of glass-forming liquids in nanoscopic confinement may contribute to the understanding of the glass transition. Especially, the question of a cooperativity length scale may be addressed. In this presentation, results obtained by inelastic neutron scattering are presented. The first experiments were done to study the α relaxation of glass-forming liquids and polymers in nanoporous silica. Neutron scattering is a suitable method to study such composite materials because the scattering of the liquid component can be emphasized by proper choice of isotopes. By combining time-of-flight spectroscopy and backscattering spectroscopy it is possible to cover the large dynamical range spanned by the dynamics of glass-forming materials. The experiments demonstrated a broadening of the spectrum of relaxation times with faster as well as slower components compared to the bulk. In later experiments `soft' confinement in a microemulsion was used to reduce surface effects. In this system a definite acceleration of the dynamics was observed. In all cases the glass-specific fast vibrational dynamics (boson peak) was also studied, revealing a characteristic confinement dependence which allows conclusions on its nature. Finally, studies were carried out on polymers by neutron spin echo spectroscopy with the aim of observing the confinement effect on polymer specific dynamics (Rouse motion). These studies showed that a comparatively simple model is able to explain the deviation from bulk behavior.

  12. A cryogenic high pressure cell for inelastic neutron scattering measurements of quantum fluids and solids.

    PubMed

    Carmichael, J R; Diallo, S O

    2013-01-01

    We present our new development of a high pressure cell for inelastic neutron scattering measurements of helium at ultra-low temperatures. The cell has a large sample volume of ~140 cm(3) and a working pressure of ~7 MPa, with a relatively thin wall-thickness (1.1 mm)--thanks to the high yield strength aluminum used in the design. Two variants of this cell have been developed. The first cell is permanently joined components using electron-beam welding and explosion welding, methods that have little or no impact on the global heat treatment of the cell. The second cell discussed has modular and interchangeable components, which includes a capacitance pressure gauge, that can be sealed using the traditional indium wire technique. The performance of the cells have been tested in recent measurements on superfluid liquid helium near the solidification line. PMID:23387689

  13. Refined model of the {Fe9} magnetic molecule from low-temperature inelastic neutron scattering studies

    SciTech Connect

    Engelhardt, Larry; Demmel, Franz; Luban, Marshall; Timco, Grigore A; Tuna, Floriana; Winpenny, Richard E

    2014-06-01

    We present a refined model of the {Fe9} tridiminished icosahedron magnetic molecule system. This molecule was originally modeled as being composed of two ({Fe3} and {Fe6}) clusters, with the Fe3+ ions within each cluster being coupled via exchange interactions, but with no coupling between the clusters. The present inelastic neutron scattering (INS) measurements were used to probe the low-lying energy spectrum of {Fe9}, and these results demonstrate that the previously published model of two uncoupled clusters is incomplete. To achieve agreement between the experiment and theory, we have augmented the model with relatively small exchange coupling between the clusters. A combination of Lanczos matrix diagonalization and quantum Monte Carlo simulations have been used to achieve good agreement between the experimental data and the improved model of the full {Fe9} system despite the complexity of this model (with Hilbert space dimension >107).

  14. Low-lying Structure of 132Xe from Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Peters, E. E.; Chakraborty, A.; Crider, B. P.; Kumar, A.; Prados-Estévez, F. M.; Ashley, S. F.; McEllistrem, M. T.; Yates, S. W.

    2011-10-01

    The stable isotopes of xenon span a region which exhibits the transition from spherical vibrators to gamma-soft nuclei and could thus provide some insight into this lesser understood shape transition. Many measurements to examine the nuclear structure of the xenon isotopes are constrained, however, as xenon is a gas under ambient conditions. Recently, highly enriched samples of 132Xe and 134Xe were converted to solid XeF2 and were studied at the University of Kentucky 7-MV Van de Graaff accelerator facility using inelastic neutron scattering with gamma-ray detection. Lifetimes for some of the low-lying levels were determined via the Doppler-shift attenuation method and reduced transition probabilities were determined. First results of the experiments on 132Xe will be presented. This material is based on work supported by the U.S. National Science Foundation under grant no. PHY-0956310.

  15. Level Lifetimes in 132,134Xe from Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Peters, E. E.; Chakraborty, A.; Crider, B. P.; Kumar, A.; Prados-Estévez, F. M.; Ashley, S. F.; McEllistrem, M. T.; Yates, S. W.

    2013-10-01

    The stable isotopes of xenon span a region which exhibits an evolution from spherical to gamma-soft behavior; thus the structure of these nuclei may provide insight into the nature of this transition. Highly enriched (>99.9%) 132Xe and 134Xe gases were converted to solid 132XeF2 and 134XeF2, which were used as scattering samples for inelastic neutron scattering measurements at the University of Kentucky Accelerator Laboratory. Lifetimes of levels up to 3.5 MeV in excitation energy in 132Xe and 134Xe were determined using the Doppler-shift attenuation method. New transitions and levels have been observed and reduced transition probabilities have also been determined. This new information will be examined in an effort to elucidate the structure of these two transitional nuclei. This material is based upon work supported by the U.S. National Science Foundation under grant no. PHY-0956310.

  16. Low-lying Structure of ^134Xe from Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Peters, E. E.; Crider, B. P.; Ashley, S. F.; McEllistrem, M. T.; Yates, S. W.

    2010-11-01

    Unlike the transition from spherical vibrators to axially symmetric rotors, little is known about the transition from spherical vibrators to gamma-soft nuclei. The stable isotopes of xenon span a region which exhibits this lesser understood shape transition. While ^136Xe shows evidence of being a spherical vibrator, the lighter xenon nuclei demonstrate gamma-soft behavior. Measurements to determine the nuclear structure of the xenon isotopes are difficult, however, since they are gases under ambient conditions, and solid targets are much more amenable to typical methods. Recently, highly enriched (>99.9%) samples of ^132Xe and ^134Xe were converted to solid XeF2. These isotopes were studied at the University of Kentucky 7-MV Van de Graaff accelerator facility using the inelastic neutron scattering reaction with gamma-ray detection. Both excitation function and angular distribution data were obtained for the low-lying levels. First results of the experiments on ^134Xe will be presented.

  17. Anomalous vibrational modes in acetanilide: A F. D. S. incoherent inelastic neutron scattering study

    SciTech Connect

    Barthes, M.; Moret, J. ); Eckert, J.; Johnson, S.W.; Swanson, B.I.; Unkefer, C.J. )

    1991-01-01

    The origin of the anomalous infra-red and Raman modes in acetanilide (C{sub 6}H{sub 5}NHCOCH{sub 3}, or ACN), remains a subject of considerable controversy. One family of theoretical models involves Davydov-like solitons nonlinear vibrational coupling, or polaronic'' localized modes. An alternative interpretation of the extra-bands in terms of a Fermi resonance was proposed and recently the existence of slightly non-degenerate hydrogen atom configurations in the H-bond was suggested as an explanation for the anomalies. In this paper we report some new results on the anomalous vibrational modes in ACN that were obtained by inelastic incoherent neutron scattering (INS).

  18. Inelastic neutron scatter iron concentrations of the moon from orbital gamma ray data

    NASA Technical Reports Server (NTRS)

    Davis, P. A., Jr.; Bielefeld, M. J.

    1981-01-01

    The considered investigation is concerned with the relation between KREEP and thermal neutron flux depression. The Fe(n, n-prime gamma) concentrations of selected lunar regions were calculated by energy-band analysis of the 0.803-0.872 MeV band. The result of the investigation will be used to evaluate the reliability of the previously determined Fe(n, gamma) values. A 0.803-0.872 MeV band was isolated from the Apollo 15 and 16 orbital gamma ray spectra. Preliminary regression analysis of regional ground truth count rates and Fe concentrations showed this energy interval to be optimum for the 0.8467 MeV inelastic scatter (n, n-prime gamma)Fe peak.

  19. A cryogenic high pressure cell for inelastic neutron scattering measurements of quantum fluids and solids

    SciTech Connect

    Carmichael, Justin R; Omar Diallo, Souleymane

    2013-01-01

    We present our new development of a high pressure cell for inelastic neutron scattering measurements of helium at ultra-low temperatures. The cell has a large sample volume of ~140 cm3, and a working pressure of ~70 bar, with a relatively thin wall-thickness (1.1 mm) - thanks to the high yield strength aluminum used in the design. Two variants of this cell have been developed; one with permanently joined components using electron-beam welding and explosion welding, methods that have little or no impact on the global heat treatment of the cell, and another with modular and interchangeable components, which include a capacitance pressure gauge, that can be sealed using traditional indium wire technique. The performance of the cell has been tested in recent measurements on superfluid liquid helium near the solidification line.

  20. In situ determination of soil carbon pool by inelastic neutron scattering: Comparison with dry combustion

    SciTech Connect

    Wielopolski, L.; Mitra, S.; Chatterjee, A.; Lal, R.

    2011-01-01

    There is a well-documented need for new in situ technologies for elemental analysis of soil, particularly for carbon (C), that overcome the limitations of the currently established chemical method by dry combustion (DC). In this work, we evaluated the concordance between the new INS (inelastic neutron scattering) technology and the DC method. The comparisons were carried out in the high C content (30-40%) organic soils of Willard, Ohio (4 sites), in natural forest in Willard, Ohio (1 site), and in a watershed pasture, with an {approx} 10{sup o} slope, in Coshocton, Ohio (5 sites). In addition to these stationary measurements, the organic soil and the pasture were continuously scanned with the inelastic neutron scattering (INS) system to obtain the transects mean C value. Both types of measurements, INS and DC, registered a decline in the surface density of C along transects in the watershed and in the organic soil. Similarly, both recorded a drop in C in the organic soil of about 0.16%. In the pastureland, declines in C levels of 0.08% and 0.10% were observed, respectively, by DC and INS. Combining the results from the three sites yielded a very satisfactory correlation between the INS- and DC-responses, with a regression coefficient, r{sup 2}, value of about 0.99. This suggests the possibility of establishing a universal regression line for various soil types. In addition, we demonstrated the ability of INS to measure the mean value over transect. In organic soil the mean value of an INS scan agreed, {approx} 0.5%, with the mean values of the DC analysis, whereas large discrepancy between these two was recorded in the pastureland. Overall, the various trends observed in C measurements by INS concurred with those determined by the DC method, so enhancing the confidence in the new INS technology.

  1. Low-energy neutron detector based upon lithium lanthanide borate scintillators

    DOEpatents

    Czirr, John B.

    1998-01-01

    An apparatus for detecting neutrons includes a cerium activated scintillation crystal containing .sup.10 B, with the scintillation crystal emitting light in response to .alpha. particles emitted from the .sup.10 B(n,.alpha.)Li* reaction. The apparatus also includes a gamma scintillator positioned adjacent the crystal and which generates light in response to gamma rays emitted from the decay of Li*. The apparatus further includes a first and a second light-to-electronic signal converter each positioned to respectively receive light from the crystal and the gamma scintillator, and each respectively outputting first and second electronic signals representative of .alpha. particles from the .sup.10 B(n,.alpha.)Li* reaction and gamma rays from the .sup.10 B(n,.alpha.)Li* reaction. The apparatus includes a coincidence circuit connected to receive the first and second signals and which generates a coincidence signal when the first and second signals coincide. The apparatus also includes a data analyzer for receiving an additional signal from at least one of the first and second converters, and for operating in response to the coincidence signal.

  2. Gamma ray production cross section from energetic neutron inelastic scattering for methodical improvements in planetary gamma-ray spectroscopy

    SciTech Connect

    Castaneda, C.M.; Gearhart, R.; Sanii, B.; Englert, P.A.J.; Drake, D.M.; Reedy, R.C.

    1991-12-31

    Planetary Gamma ray spectroscopy can be used to chemically analyze the top soil from planets in future planetary missions. The production from inelastic neutron interaction plays an effective role in the determination on the C and H at the surface. The gamma ray production cross section from the strongest lines excited in the neutron bombardment of Fe have been measured by the use of a time analyzed quasi-mono-energetic neutron beam and a high purity germanium detector. The results from En=6.5, 32, 43, and 65 MeV are presented.

  3. Optical model for low-energy neutrons on /sup 60/Ni

    SciTech Connect

    Winters, R.R.; Johnson, C.H.; MacKellar, A.D.

    1985-02-01

    A previously published s-wave scattering function for 1--450 keV neutrons on /sup 60/Ni is averaged for comparison to the scattering from an optical model potential. The scattering length R' is found to be 5.5 +- 0.03 fm at 225 keV. Averaging of the scattering function (both by integration with a normalized weight function and by use of an analytical approximation) produces shape elastic and compound nucleus cross sections which are then fitted by adjustment of the real and imaginary well depths in both spherical and vibrational optical models with a Woods-Saxon real well (r/sub 0/ = 1.21 fm, a/sub 0/ = 0.66 fm) and a surface derivative imaginary well (r/sub D/ = 1.21 fm, a/sub D/ = 0.48 fm). The fitted depths are V/sub 0/ = 48 MeV and W/sub D/ = 29 MeV for the spherical potentials, and V/sub 0/ = 50 MeV and W/sub D/ = 24 MeV for the vibrational potentials. Uncertainties are +- 5 MeV. From an upper limit on the p-wave strength function the W/sub D/ for p waves is found to be 1.5 MeV for the vibrational model. Thus, the imaginary potential is l dependent for the assumed geometry. For s waves the vibrational model gives a good fit also with W/sub D/ = 1.5 MeV and V/sub 0/ = 54.4 MeV; however, with that V/sub 0/ the 2p states are bound too deeply in /sup 61/Ni and the 3s size resonance is predicted at too low a mass.

  4. Inelastic neutron- and Raman-scattering studies of muscovite and vermiculite layered silicates

    SciTech Connect

    Wada, N. ); Kamitakahara, W.A. University of Maryland, College Park, Maryland National Institute of Standards and Technology, Building 235, E-151, Gaithersburg, Maryland )

    1991-01-15

    Investigations on the lattice dynamics of muscovite and vermiculite have been carried out by inelastic neutron scattering and Raman scattering. In the neutron measurements, dispersion curves for the out-of-plane and in-plane LA and TA phonons were fully obtained for muscovite, while more limited data were obtained for Mg vermiculite. Sound velocities were estimated from the slopes of the dispersion curves. Raman-scattering experiments revealed an interlayer shearing mode in Na and Sr vermiculites in the 0-water-layer hydration state. The intercalated water molecules in Na and Sr vermiculites exhibited a broad Raman feature (OH stretching vibrations) at 3450 cm{sup {minus}1} with a full width at half maximum of {similar to}300 cm{sup {minus}1}. In addition, relatively sharp Raman peaks from the inner-layer hydroxyls in the host octahedral layers were found at {similar to}3700 cm{sup {minus}1}. These peaks were sensitive to the hydration state or charge in the intercalated layer.

  5. Inelastic neutron scattering and raman light scattering from hydrogen-filled clathrates hydrates

    NASA Astrophysics Data System (ADS)

    Ulivi, L.; Celli, M.; Giannasi, A.; Ramirez-Cuesta, A. J.; Zoppi, M.

    2008-07-01

    Several samples of ternary tetrahydrofuran-H2O-H2 and binary H2O-H2 clathrate hydrates have been analysed by high-resolution inelastic neutron scattering and Raman light scattering. The neutron spectrum presents several intense bands due to H2 molecule excitations and in particular to rotational transitions, centre-of-mass translational transitions of either para-or ortho-H2, and to combinations of these. The H2 molecule behaves in the clathrate cage as an almost free rotor, and performs a translational motion (rattling), that is a paradigmatic example of the motion of a quantum particle in a non-harmonic three-dimensional potential well. Both the H2 rotational transition and the fundamental of the rattling transition split into triplets. Raman spectra show a similar splitting of the S0(0) rotational transition, due to a significant anisotropy of the potential with respect to the orientation of the molecule in the cage. The comparison of our experimental values for the transition frequencies to a recent quantum mechanical calculation is discussed.

  6. Inelastic Neutron Scattering on Multiferroics NdFe3(BO3)4

    NASA Astrophysics Data System (ADS)

    Hayashida, Shohei; Soda, Minoru; Itoh, Shinichi; Yokoo, Tetsuya; Ohgushi, Kenya; Kawana, Daichi; Masuda, Takatsugu

    Inelastic neutron scattering experiment is performed on single crystals of multiferroics NdFe3(11BO3)4 to explore the magnetic excitations. Fe-centered dispersive excitation with the band width of 5 meV is observed along the crystallographic c∗ direction and that of 3 meV is along the a∗ direction. The energy gap of 0.57 meV due to an axial-type anisotropy is ob- served at the AF zone center. The energy of Nd-centered flat excitation is 1 meV. Furthermore, anticrossing of the Fe- and Nd-centered excitations is observed, meaning the existence of the f -d coupling, i.e., the interaction between the Nd3+ and Fe3+ moments. Spin-wave analysis on the observed neutron spectrum revealed the underlying magnetic Hamiltonian in NdFe3(11BO3)4. Discussion on the axial-type anisotropy in the ab - plane based on the magnetic model leads to the conclusion that the anisotropy of the Nd3+ ion plays a main role in the determination of the structures of both magnetic moment and electric polarization in NdFe3(BO3)4.

  7. Momentum density of hcp and liquid helium-4 by inelastic neutron scattering

    SciTech Connect

    Hilleke, Russell Otto

    1983-01-01

    A measurement of the momentum density in hcp and liquid /sup 4/He by inelastic neutron scattering is reported. Using the Low Resolution Medium Energy Chopper Spectrometer at the Intense Pulsed Neutron Source at Argonne National Laboratory, momentum transfers in the range 12 to 22.5 A/sup -1/ were attained. At these momentum transfers, the momentum density of the sample is related to the dynamic structure factor by the impulse approximation. The measured momentum distribution is Gaussian and the kinetic energy is larger than proposed by existing theories. Data were taken on two solid samples, the first was a 19.45 cm/sup 3//mole hcp solid, the second was 18.20 cm/sup 3// mole; both solid samples were maintained at 1.70 K during data collection. Data were also taken on a liquid sample with a molar volume of 18.20 cm/sup 3//mole at 4.00 K. At 1.70 K the two solid samples are essentially in their ground states so that the measurement is of the ground state momentum density. The liquid sample was included to see if the difference between the liquid and solid momentum density at the same molar volume was observable.

  8. How low-energy weak reactions can constrain three-nucleon forces and the neutron-neutron scattering length.

    PubMed

    Gårdestig, A; Phillips, D R

    2006-06-16

    We show that chiral symmetry and gauge invariance enforce relations between the short-distance physics that occurs in a number of electroweak and pionic reactions on light nuclei. Within chiral perturbation theory, this is manifested via the appearance of the same axial isovector two-body contact term in pi(-)d --> nngamma, p-wave pion production in NN collisions, tritium beta decay, pp fusion, nud scattering, and the hep reaction. Using a Gamow-Teller matrix element obtained from calculations of pp fusion as input, we compute the neutron spectrum obtained in pi(-)d --> nngamma. With the short-distance physics in this process controlled from pp --> de(=)nu(e), the theoretical uncertainty in the nn scattering length extracted from pi(-)d --> nngamma is reduced by a factor larger than 3, to approximately < or = 0.05 fm. PMID:16803373

  9. Inelastic neutron scattering and molecular simulation of the dynamics of interlayer water in smectite clay minerals

    DOE PAGESBeta

    Cygan, Randall T.; Daemen, Luke L.; Ilgen, Anastasia G.; Krumhansl, James L.; Nenoff, Tina M.

    2015-11-16

    The study of mineral–water interfaces is of great importance to a variety of applications including oil and gas extraction, gas subsurface storage, environmental contaminant treatment, and nuclear waste repositories. Understanding the fundamentals of that interface is key to the success of those applications. Confinement of water in the interlayer of smectite clay minerals provides a unique environment to examine the interactions among water molecules, interlayer cations, and clay mineral surfaces. Smectite minerals are characterized by a relatively low layer charge that allows the clay to swell with increasing water content. Montmorillonite and beidellite varieties of smectite were investigated to comparemore » the impact of the location of layer charge on the interlayer structure and dynamics. Inelastic neutron scattering of hydrated and dehydrated cation-exchanged smectites was used to probe the dynamics of the interlayer water (200–900 cm–1 spectral region) and identify the shift in the librational edge as a function of the interlayer cation. Molecular dynamics simulations of equivalent phases and power spectra, derived from the resulting molecular trajectories, indicate a general shift in the librational behavior with interlayer cation that is generally consistent with the neutron scattering results for the monolayer hydrates. Both neutron scattering and power spectra exhibit librational structures affected by the location of layer charge and by the charge of the interlayer cation. Furthermore, divalent cations (Ba2+ and Mg2+) characterized by large hydration enthalpies typically exhibit multiple broad librational peaks compared to monovalent cations (Cs+ and Na+), which have relatively small hydration enthalpies.« less

  10. Inelastic neutron scattering and molecular simulation of the dynamics of interlayer water in smectite clay minerals

    SciTech Connect

    Cygan, Randall T.; Daemen, Luke L.; Ilgen, Anastasia G.; Krumhansl, James L.; Nenoff, Tina M.

    2015-11-16

    The study of mineral–water interfaces is of great importance to a variety of applications including oil and gas extraction, gas subsurface storage, environmental contaminant treatment, and nuclear waste repositories. Understanding the fundamentals of that interface is key to the success of those applications. Confinement of water in the interlayer of smectite clay minerals provides a unique environment to examine the interactions among water molecules, interlayer cations, and clay mineral surfaces. Smectite minerals are characterized by a relatively low layer charge that allows the clay to swell with increasing water content. Montmorillonite and beidellite varieties of smectite were investigated to compare the impact of the location of layer charge on the interlayer structure and dynamics. Inelastic neutron scattering of hydrated and dehydrated cation-exchanged smectites was used to probe the dynamics of the interlayer water (200–900 cm–1 spectral region) and identify the shift in the librational edge as a function of the interlayer cation. Molecular dynamics simulations of equivalent phases and power spectra, derived from the resulting molecular trajectories, indicate a general shift in the librational behavior with interlayer cation that is generally consistent with the neutron scattering results for the monolayer hydrates. Both neutron scattering and power spectra exhibit librational structures affected by the location of layer charge and by the charge of the interlayer cation. Furthermore, divalent cations (Ba2+ and Mg2+) characterized by large hydration enthalpies typically exhibit multiple broad librational peaks compared to monovalent cations (Cs+ and Na+), which have relatively small hydration enthalpies.

  11. New opportunities for quasielastic and inelastic neutron scattering at steady-state sources using mechanical selection of the incident and final neutron energy

    DOE PAGESBeta

    Mamantov, Eugene

    2015-06-12

    We propose a modification of the neutron wide-angle velocity selector (WAVES) device that enables inelastic (in particular, quasielastic) scattering measurements not relying on the neutron time-of-flight. The proposed device is highly suitable for a steady-state neutron source, somewhat similar to a triple-axis spectrometer, but with simultaneous selection of the incident and final neutron energy over a broad range of scattering momentum transfer. Both the incident and final neutron velocities are defined by the WAVES geometry and rotation frequency. The variable energy transfer is achieved through the natural variation of the velocity of the transmitted neutrons as a function of themore » scattering angle component out of the equatorial plane.« less

  12. New opportunities for quasielastic and inelastic neutron scattering at steady-state sources using mechanical selection of the incident and final neutron energy

    SciTech Connect

    Mamantov, Eugene

    2015-06-12

    We propose a modification of the neutron wide-angle velocity selector (WAVES) device that enables inelastic (in particular, quasielastic) scattering measurements not relying on the neutron time-of-flight. The proposed device is highly suitable for a steady-state neutron source, somewhat similar to a triple-axis spectrometer, but with simultaneous selection of the incident and final neutron energy over a broad range of scattering momentum transfer. Both the incident and final neutron velocities are defined by the WAVES geometry and rotation frequency. The variable energy transfer is achieved through the natural variation of the velocity of the transmitted neutrons as a function of the scattering angle component out of the equatorial plane.

  13. Thulium-169 neutron inelastic scattering cross section measurements via the (169)Tm(n,n'gamma) reaction

    NASA Astrophysics Data System (ADS)

    Ko, Young June

    1999-11-01

    A neutron inelastic scattering study for low-lying states of thulium-169 below 1 MeV has been pursued by the detection of gamma rays from the 169Tm(n,n'γ) reaction. The inelastic level cross sections, which are important to obtain nuclear potential parameters and to understand reaction mechanisms, were obtained in this study. Incident neutrons were generated by bombarding a metallic lithium target with protons from the Lowell Van de Graaff accelerator. A germanium detector was used for gamma-ray observation. Excitation functions were measured from 0.2 to 1 MeV in 50 keV intervals at a scattering angle of 125°. Gamma-ray production cross sections were obtained for 37 observed transitions from 16 levels. Gamma-ray angular distributions from 35° to 135°, in 10° steps were measured at a neutron energy of 750 keV. The angular distributions were fitted with Legendre polynomials of even (up to fourth) order. Neutron inelastic level cross sections were inferred from the excitation functions and the angular distributions. Because cross-section data from previous experimental or theoretical work were not available, no direct comparison with previous work was made. A comparison of the magnitude and behavior of the (n,inelastic) cross section for thulium with those of neighboring odd-A nuclei indicated reasonable agreement. A classical model for angular momentum transfer indicates that states with spin >=/(+) may be excited only through the compound nucleus process, but for states with spin <=/(-) compound nucleus and direct interaction processes may both participate in the excitation.

  14. Fusion of time-dependent gamma production spectra from thermal neutron capture and fast neutron inelastic scattering to improve material detection

    NASA Astrophysics Data System (ADS)

    Gozani, T.; Elsalim, M.; Strellis, D.; Brown, D.

    2003-06-01

    Neutron-based inspection techniques are unique in their ability to provide material specific signatures, thus offering very high performance and automatic detection of explosives and other contraband. Thermal neutron capture gamma spectroscopy provides excellent sensitivities to hydrogen, nitrogen, chlorine, and other elements, which are characteristic to most explosives, drugs and other contraband that may be smuggled into the country. Fast neutron gamma production (mostly through inelastic scattering) provides good sensitivity to carbon and oxygen. When necessary, these two types of complementary interactions can be combined to yield a more accurate material determination inside small to medium size containers. Standard pulsed 14 MeV electronic neutron generators offer an efficient way to obtain these two types of interactions. Fast (14 MeV) neutrons are produced during the pulse. After the pulse, only the decaying thermal neutron population exists, and thus pure neutron capture gamma-rays are produced. Unfortunately, during the pulse (which is normally much longer than the neutron thermalization time) the fast neutron interactions are highly "contaminated" by the interactions of thermal neutrons within the object and the nearby gamma-ray detectors. This creates high background and spectral interferences in the common medium resolution detectors, such as NaI, BGO, etc. The use of an appropriate shielding, neutron spectrum tailoring, full spectral feature analysis as well as temporal information ("die-away" time) resulted in significant performance enhancements in detection of explosives, drugs and other contraband in difficult geometries.

  15. Role of nuclear couplings in the inelastic excitation of weakly-bound neutron-rich nuclei

    SciTech Connect

    Dasso, C.H.; Lenzi, S.M.; Vitturi, A.

    1996-12-31

    Much effort is presently devoted to the study of nuclear systems far from the stability line. Particular emphasis has been placed in light systems such as {sup 11}Li, {sup 8}B and others, where the very small binding energy of the last particles causes their density distribution to extend considerably outside of the remaining nuclear core. Some of the properties associated with this feature are expected to characterize also heavier systems in the vicinity of the proton or neutron drip lines. It is by now well established that low-lying concentrations of multipole strength arise from pure configurations in which a peculiar matching between the wavelength of the continuum wavefunction of the particles and the range of the weakly-bound hole states occurs. To this end the authors consider the break-up of a weakly-bound system in a heavy-ion collision and focus attention in the inelastic excitation of the low-lying part of the continuum. They make use of the fact that previous investigations have shown that the multipole response in this region is not of a collective nature and describe their excited states as pure particle-hole configurations. Since the relevant parameter determining the strength distributions is the binding energy of the last bound orbital they find it most convenient to use single-particle wavefunctions generated by a sperical square-well potential with characteristic nuclear dimensions and whose depth has been adjusted to give rise to a situation in which the last occupied neutron orbital is loosely-bound. Spin-orbit couplings are, for the present purpose, ignored. The results of this investigation clearly indicate that nuclear couplings have the predominant role in causing projectile dissociation in many circumstances, even at bombarding energies remarkably below the Coulomb barrier.

  16. Inelastic neutron scattering studies of the spin and lattice dynamics in iron arsenide compounds.

    SciTech Connect

    Osborn, R.; Rosenkranz, S.; Goremychkin, E. A.; Christianson, A. D.

    2009-03-20

    Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initio calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely

  17. Inelastic Neutron Scattering Studies of the Spin and Lattice Dynamics inIron Arsenide Compounds

    SciTech Connect

    Christianson, Andrew D; Osborn, R.; Rosenkranz, Stephen; Goremychkin, E. A.

    2009-01-01

    Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initio calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely

  18. Inelastic Neutron Scattering studies of pure and Mo doped VO2

    NASA Astrophysics Data System (ADS)

    Banerjee, Arnab; Granroth, Garrett E.; Yiu, Yuen; Aczel, Adam A.; Koleshnikov, Alexander I.; Luo, Huxia; Cava, Robert J.; Nagler, Stephen E.; Princeton University Collaboration; Sequoia Team

    2014-03-01

    For the last half-century VO2 has been viewed as an archetypal system for studying the metal-insulator transition (MIT). Moreover, there is currently intense interest in this material arising from its promising use in fast energy efficient electronic devices. There are key unresolved issues connected with the origin of the MIT, including the role of magnetism arising from the S =1/2 V4+ ions. It is known that below 340 K in undoped VO2 the V ions form structural dimers in the insulating M1 monoclinic phase. Here we report the results of new inelastic neutron scattering measurements of VO2 and V0.75Mo0.25O2. Using the SEQUOIA chopper spectrometer at the SNS possible lattice and magnetic excitations for energies up to 600 meV were investigated. We discuss the results in the context of current ideas concerning the MIT in VO2. The research at ORNL is supported by the DOE BES, Division of Scientific User Facilities. Work at Princeton University is supported by the DOE grant number DE-FG02-98ER45706.

  19. Magnetic spectra in the tridiminished-icosahedron {Fe9} nanocluster by inelastic neutron scattering

    SciTech Connect

    Vaknin, David; Demmel, Franz

    2014-05-01

    Inelastic neutron scattering (INS) experiments under applied magnetic field at low temperatures show detailed low-lying magnetic excitations in the so-called tridiminshed iron icosahedron magnetic molecule. The magnetic molecule consists of nine iron Fe3+ (s=5/2) and three phosphorous atoms that are situated on the 12 vertices of a nearly perfect icosahedron. The three phosphorous atoms form a plane that separates the iron cluster into two weakly coupled three- and six-ion fragments, {Fe3} and {Fe6}, respectively. The magnetic field INS results exhibit an S=1/2 ground state expected from a perfect equilateral triangle of the {Fe3} triad with a powder averaged g value =2.00. Two sets of triplet excitations whose temperature and magnetic field dependence indicate an S=0 ground state with two nondegenerate S=1 states are attributed to the {Fe6} fragment. The splitting may result from a finite coupling between the two fragments, single-ion anisotropy, antisymmetric exchange couplings, or from magnetic frustration of its triangular building blocks.

  20. Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations.

    PubMed

    Celli, Milva; Powers, Anna; Colognesi, Daniele; Xu, Minzhong; Bačić, Zlatko; Ulivi, Lorenzo

    2013-10-28

    We have performed high-resolution inelastic neutron scattering (INS) measurements on binary hydrogen clathrate hydrates exhibiting the hexagonal structure (sH). Two samples, differing only in the ortho/para fraction of hydrogen, were prepared using heavy water and methyl tert-butyl ether as the promoter in its perdeuterated form. The INS spectrum of the translation-rotation (TR) excitations of the guest H2 molecule was obtained by subtracting the very weak signal due to the D2O lattice modes. By means of a subtraction procedure, it has been possible to obtain separately the spectra of caged p-H2 and o-H2. sH clathrates are comprised of three distinct types of cages, two of which, differing in shape and size, are each occupied by one H2 molecule only. Both contribute to the measured INS spectrum which is, therefore, rather complex and challenging to assign unambiguously. To assist with the interpretation, the INS spectra are calculated accurately utilizing the quantum methodology which incorporates the coupled five-dimensional TR energy levels and wave functions of the H2 molecule confined in each type of nanocage. The computed INS spectra are highly realistic and reflect the complexity of the coupled TR dynamics of the guest H2 in the anisotropic confining environment. The simulated INS spectra of p-H2 and o-H2 in the small and medium cages are compared with the experimental data, and are indispensable for their interpretation. PMID:24182049

  1. Excitations in a thin liquid {sup 4}He film from inelastic neutron scattering

    SciTech Connect

    Clements, B.E. |; Godfrin, H.; Krotscheck, E. |; Lauter, H.J.; Leiderer, P.; Passiouk, V. |; Tymczak, C.J.

    1996-05-01

    We perform a thorough analysis of the experimental dynamic structure function measured by inelastic neutron scattering for a low-temperature ({ital T}=0.65 K) four-layer liquid {sup 4}He film. The results are interpreted in light of recent theoretical calculations of the (nonvortex) excitations in thin liquid Bose films. The experimental system consists of four outer liquid layers, adsorbed to two solid inner {sup 4}He layers, which are themselves adsorbed to a graphite substrate. Relatively intense surface (ripplon) and bulklike modes are observed. The analysis of the experimental data gives strong evidence for still other modes and supports the long-standing theoretical predictions of layerlike modes (layer phonons) associated with excitations propagating primarily within the liquid layers comprising the film. The results of the analysis are consistent with the occurrence of level crossings between modes, and the existence of a layer modes for which the theory predicts will propagate in the vicinity of the solid-liquid interface. The theory and experiment agree on the detailed nature of the ripplon; its dispersion at low momenta, its fall off in intensity at intermediate momenta, and the level crossings at high momentum. Similar to experiment, the theory yields an intense mode in the maxon-roton region which is intrepreted as the formation of the bulklike excitation. {copyright} {ital 1996 The American Physical Society.}

  2. Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations

    NASA Astrophysics Data System (ADS)

    Celli, Milva; Powers, Anna; Colognesi, Daniele; Xu, Minzhong; Bačić, Zlatko; Ulivi, Lorenzo

    2013-10-01

    We have performed high-resolution inelastic neutron scattering (INS) measurements on binary hydrogen clathrate hydrates exhibiting the hexagonal structure (sH). Two samples, differing only in the ortho/para fraction of hydrogen, were prepared using heavy water and methyl tert-butyl ether as the promoter in its perdeuterated form. The INS spectrum of the translation-rotation (TR) excitations of the guest H2 molecule was obtained by subtracting the very weak signal due to the D2O lattice modes. By means of a subtraction procedure, it has been possible to obtain separately the spectra of caged p-H2 and o-H2. sH clathrates are comprised of three distinct types of cages, two of which, differing in shape and size, are each occupied by one H2 molecule only. Both contribute to the measured INS spectrum which is, therefore, rather complex and challenging to assign unambiguously. To assist with the interpretation, the INS spectra are calculated accurately utilizing the quantum methodology which incorporates the coupled five-dimensional TR energy levels and wave functions of the H2 molecule confined in each type of nanocage. The computed INS spectra are highly realistic and reflect the complexity of the coupled TR dynamics of the guest H2 in the anisotropic confining environment. The simulated INS spectra of p-H2 and o-H2 in the small and medium cages are compared with the experimental data, and are indispensable for their interpretation.

  3. Neutron inelastic scattering in natural Pb as a background in neutrinoless double-beta decay experiments

    SciTech Connect

    Guiseppe, Vincente E; Elliott, Steve R; Hime, Andrew; Perepelitsa, Dennis V

    2008-01-01

    Inelastic neutron scattering on Pb isotopes can result in {gamma} rays near the signature endpoint energy in a number of {beta}{beta} isotopes. In particular, there are {gamma}-ray transitions in {sup 206}Pb and {sup 207}Pb that might produce energy deposits at the {sup 76}Ge Q{sub {beta}{beta}} in Ge detectors used for 0{nu}{beta}{beta} searches. The levels that produce these {gamma} rays can be excited by n,n'{gamma} reactions, but the cross sections are small and previously unmeasured. The cross section on {sup nat}Pb to produce the 2041-keV {gamma} ray from {sup 206}Pb is measured to be 3.1 {+-} 0.6 (stat.) {+-} 0.3 (syst.) mb at {approx} 9.6 MeV. The cross section on {sup nat}Pb to produce the 3062-keV {gamma} ray from {sup 207}Pb is measured to be 4.3 {+-} 0.8 (stat.) {+-} 0.4 (syst.) mb at the same energy. We place upper limits on the cross sections for exciting some other levels in Pb that have transition energies corresponding to Q{sub {beta}{beta}} in orhter {beta}{beta} isotopes.

  4. Inelastic neutron scattering study of Pt(II) complexes displaying anticancer properties.

    PubMed

    de Carvalho, Luís A E Batista; Marques, M Paula M; Martin, Christine; Parker, Stewart F; Tomkinson, John

    2011-05-01

    The well-known platinum(II) chemotherapeutic drugs cisplatin [cis-(NH(3))(2)PtCl(2)] and carboplatin [Pt(NH(3))(2)C(6)O(4)H(6)], as well as the analogous transplatin [trans-(NH(3))(2)PtCl(2)], were studied by inelastic neutron scattering (INS) spectroscopy, coupled to quantum mechanical methods, and some ancillary work with X-ray diffraction on powders. An assignment of the experimental spectra was carried out based on the calculated INS transition frequencies and intensities (at the DFT level), thereby achieving a good correspondence between the calculated and observed data. Unusually good-quality INS spectra were obtained from about 250 mg, which is the smallest sample of a hydrogenous compound for which a successful INS interpretation has been reported. The knowledge of the local configuration of this kind of complexes is essential for an accurate understanding of their activity, which will pave the way for the rational design of novel third-generation drugs comprising cisplatin- and carboplatin-like moieties. PMID:21523878

  5. Interaction of hydrogen with extraframework cations in zeolite hosts probed by inelastic neutron scattering spectroscopy.

    PubMed

    Eckert, Juergen; Trouw, Frans R; Mojet, Barbara; Forster, Paul; Lobo, Raul

    2010-01-01

    The hindered rotations of molecular hydrogen adsorbed at low loadings into a number of partially ion-exchanged zeolites A, Y and X have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. The factors that determine the sorption sites and strength of the interaction with the host material are found to be a complex combination of the type, charge and size of the cations, their coordination to the host framework, and accessibility to the hydrogen molecule as well as the relative acidity of the framework, and lead to important criteria for the development of more effective hybrid materials for hydrogen storage. The highest barriers to rotation were found for the undercoordinated, exposed Li+ cations in LiA and in LiX. Interaction with the extra framework Cu2+ and Zn2+ cations in zeolite A is found to be noticeably stronger than with the neutral Zn- or Cu- containing clusters in metal-organic framework compounds. Our observation that binding of hydrogen in these charged frameworks is strongly enhanced relative to those that are neutral suggests an important approach to improvement of porous materials as ambient temperature hydrogen storage media. PMID:20352810

  6. ''Inelastic Neutron Scattering and Periodic Density Functional Studies of Hydrogen Bonded Structures''

    SciTech Connect

    Bruce S. Hudson

    2004-10-27

    This project is directed at a fundamental understanding of hydrogen bonding, the primary reversible interaction leading to defined geometries, networks and supramolecular aggregates formed by organic molecules. Hydrogen bonding is still not sufficiently well understood that the geometry of such supramolecular aggregates can be predicted. In the approach taken existing quantum chemical methods capable of treating periodic solids have been applied to hydrogen bonded systems of known structure. The equilibrium geometry for the given space group and packing arrangement were computed and compared to that observed. The second derivatives and normal modes of vibration will then be computed and from this inelastic neutron scattering (INS) spectra were computed using the normal mode eigenvectors to compute spectral intensities. Appropriate inclusion of spectrometer line width and shape was made in the simulation and overtones, combinations and phonon wings were be included. These computed spectra were then compared with experimental results obtained for low-temperature polycrystalline samples at INS spectrometers at several facilities. This procedure validates the computational methodology for describing these systems including both static and dynamic aspects of the material. The resulting description can be used to evaluate the relative free energies of two or more proposed structures and so ultimately to be able to predict which structure will be most stable for a given building block.

  7. Intruder structures observed in {sup 122}Te through inelastic neutron scattering

    SciTech Connect

    Hicks, S.F.; Alexander, G.K.; Aubin, C.A.; Burns, M.C.; Collard, C.J.; Walbran, M.M.; Vanhoy, J.R.; Jensen, E.; Garrett, P.E.; Martin, A.; Warr, N.; Kadi, M.; Yates, S.W.

    2005-03-01

    The excited levels of {sup 122}Te to 3.3- MeV excitation have been studied using {gamma}-ray spectroscopy following inelastic neutron scattering. The decay characteristics of these levels have been determined from {gamma}-ray excitation functions, angular distributions at E{sub n}-1.72,2.80, and 3.35 MeV, Doppler shifts, and {gamma}{gamma} coincidences. Electromagnetic transition rates were deduced for many levels, as were multipole-mixing and branching ratios. Level energies and electromagnetic transition rates were compared to interacting boson model (IBM) calculations, both with and without intruder-state mixing, and to particle-core coupling model calculations. The energies of low-lying levels of {sup 122}Te are well described by the IBM with intruder-state mixing calculations, and observed transition rates support emerging intruder bands built on 0{sup +} levels. The other models considered do not produce enough low-lying positive parity states; however, U(5) energies to the four quadrupole-phonon level agree very well with observations when states with large intruder configurations are ignored. Mixed-symmetry and quadrupole-octupole excitations have been investigated, but mixing with other configurations and fragmentation of strength prohibit a clear identification of these states.

  8. High resolution inelastic gamma-ray measurements with a white neutron source from 1 to 200 MeV

    SciTech Connect

    Nelson, R.O.; Laymon, C.M.; Wender, S.A.

    1990-01-01

    Measurements of prompt gamma rays following neutron-induced reactions have recently been made at the spallation neutron source at the WNR target area of LAMPF using germanium detectors. These experiments provide extensive excitation function data for inelastic neutron scattering as well as for other reactions such as (n,{alpha}), (n,n{alpha}), (n,p), (n,np), (n,nnp) and (n,xn) for 1 {le} {times} {le} 11. The continuous energy coverage available from 1 MeV to over 200 MeV is ideal for excitation function measurements and greatly extends the energy range for such data. The results of these measurements will provide a database for interpretation of gamma-ray spectra from the planned Mars Observer mission, aid in radiation transport calculations, allow verification of nuclear reaction models, and improve the evaluated neutron reaction data base.

  9. Design of the Small Angle Neutron Scattering instrument at the Indiana University Low Energy Neutron Source: Applications to the study of nanostructured materials

    NASA Astrophysics Data System (ADS)

    Remmes, Nicholas B.

    The Low Energy Neutron Source (LENS) located at the Indiana University Cyclotron Facility (IUCF) is a prototypical long-pulse accelerator-based neutron source. The Small Angle Neutron Scattering (SANS) instrument is one of several planned instruments at the LENS facility. The SANS instrument is a time-of-flight instrument which utilizes a pinhole collimation system and neutron wavelengths up to 20A giving it a q range from about 0.006A-1 to 0.5A-1 with a maximum divergence at the sample of about +/-8mrad. The neutron flux on the sample at the anticipated 8kW mode of operation is anticipated to be greater than 2 x 104n/s.cm 2. The design, calibration, and testing of the LENS SANS instrument is discussed, including Monte-Carlo simulations and analytical calculations used to optimize the collimation design, the placement and design of the pulse-overlap chopper system, and other aspects of the instrument's geometry. The expected resolution, count rates, and other general performance parameters of the instrument are presented and, where possible, compared with experimental results. SANS measurements of a family of tripodal organo-silicon dendrimer molecules using the IPNS SAND and the NCNR NG3 SANS instruments are presented. Variations in the scattering curves are compared for solutions of the dendrimers at multiple concentrations in d-heptane, d-DCM, and d-toluene. Models of both the particle form factor and the structure factor are presented. The measurements suggest a distinct difference between the size and behavior of the highest generation dendrimer in two of the solvents (d-DCM and d-toluene) as compared to a third (d-heptane). Additionally, the dendrimer molecules appear to be forming short chains in solution. A brief study of iron oxide magnetic nanoparticles is also presented. This study includes a presentation of the magnetic measurements of the nanoparticles using a SQUID magnetometer. The measurements indicate contributions by a larger dispersion of

  10. Design of a high-current low-energy beam transport line for an intense D-T/D-D neutron generator

    NASA Astrophysics Data System (ADS)

    Lu, Xiaolong; Wang, Junrun; Zhang, Yu; Li, Jianyi; Xia, Li; Zhang, Jie; Ding, Yanyan; Jiang, Bing; Huang, Zhiwu; Ma, Zhanwen; Wei, Zheng; Qian, Xiangping; Xu, Dapeng; Lan, Changlin; Yao, Zeen

    2016-03-01

    An intense D-T/D-D neutron generator is currently being developed at the Lanzhou University. The Cockcroft-Walton accelerator, as a part of the neutron generator, will be used to accelerate and transport the high-current low-energy beam from the duoplasmatron ion source to the rotating target. The design of a high-current low-energy beam transport (LEBT) line and the dynamics simulations of the mixed beam were carried out using the TRACK code. The results illustrate that the designed beam line facilitates smooth transportation of a deuteron beam of 40 mA, and the number of undesired ions can be reduced effectively using two apertures.

  11. Estimation of low energy neutron flux (En <= 15 MeV) in India-based Neutrino Observatory cavern using Monte Carlo techniques

    NASA Astrophysics Data System (ADS)

    Dokania, N.; Singh, V.; Mathimalar, S.; Garai, A.; Nanal, V.; Pillay, R. G.; Bhushan, K. G.

    2015-12-01

    The neutron flux at low energy (En <= 15 MeV) resulting from the radioactivity of the rock in the underground cavern of the India-based Neutrino Observatory is estimated using Geant4-based Monte Carlo simulations. The neutron production rate due to the spontaneous fission of 235, 238U, 232Th and (α, n) interactions in the rock is determined employing the actual rock composition. It is shown that the total flux is equivalent to a finite size cylindrical rock (D=L=140 cm) element. The energy integrated neutron flux thus obtained at the center of the underground tunnel is 2.76 (0.47) × 10-6 n cm-2 s-1. The estimated neutron flux is of the same order (~10-6 n cm-2 s-1) as measured in other underground laboratories.

  12. Inelastic Neutron Scattering Study of the Specific Features of the Phase Transitions in (NH4)2WO2F4

    SciTech Connect

    Smirnov, Lev S; Kolesnikov, Alexander I; Flerov, I. N.; Laptash, N. M.

    2009-01-01

    Oxyfluoride (NH4)2WO2F4 has been studied by the inelastic neutron scattering method over a wide temperature range 10 300 K at two initial neutron energies of 15 and 60 meV. The role of tetrahedral ammonium groups in the mechanism of sequential phase transitions at T1 = 201 K and T2 = 160 K has been discussed.

  13. Inelastic neutron scattering study of methyl groups rotation in some methylxanthines

    NASA Astrophysics Data System (ADS)

    Prager, M.; Pawlukojc, A.; Wischnewski, A.; Wuttke, J.

    2007-12-01

    The three isomeric dimethylxanthines and trimethylxanthine are studied by neutron spectroscopy up to energy transfers of 100meV at energy resolutions ranging from 0.7μeV to some meV. The loss of elastic intensity with increasing temperature can be modeled by quasielastic methyl rotation. The number of inequivalent methyl groups is in agreement with those of the room temperature crystal structures. Activation energies are obtained. In the case of theophylline, a doublet tunneling band is observed at 15.1 and 17.5μeV. In theobromine, a single tunneling band at 0.3μeV is found. Orientational disorder in caffeine leads to a 2.7μeV broad distribution of tunneling bands around the elastic line. At the same time, broad low energy phonon spectra characterize an orientational glassy state with weak methyl rotational potentials. Librational energies of the dimethylxanthines are clearly seen in the phonon densities of states. Rotational potentials can be derived which explain consistently all observables. While their symmetry in general is threefold, theophylline shows a close to sixfold potential reflecting a mirror symmetry.

  14. Vibrational dynamics of plant light-harvesting complex LHC II investigated by quasi- and inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Golub, Maksym; Irrgang, Klaus-Dieter; Rusevich, Leonid; Pieper, Jörg

    2015-01-01

    Vibrational dynamics of the light-harvesting complex II (LHC II) from spinach was investigated by quasi- and inelastic neutron scattering (QENS and INS) at three different temperatures of 80, 160, and 285 K. QENS/INS spectra of solubilised LHC II and of the corresponding buffer solution were obtained separately and exhibit characteristic inelastic features. After subtraction of the buffer contribution, the INS spectrum of LHC II reveals a distinct Boson peak at ˜ 2.5 meV at 80 K that shifts towards lower energies if the temperature is increased to 285 K. This effect is interpreted in terms of a "softening" of the protein matrix along with the dynamical transition at ˜ 240 K. Our findings indicate that INS is a valuable method to obtain the density of vibrational states not only at cryogenic, but also at physiological temperatures.

  15. Transverse dynamics of water across the melting point: A parallel neutron and x-ray inelastic scattering study

    SciTech Connect

    Cunsolo A.; Kodituwakku C.; Bencivenga, F.; Frontzek, M.; Leu, b.M.; Said, A.H.

    2012-05-29

    Joint inelastic neutron and x-ray scattering measurements have been performed on heavy water across the melting point. The spectra bear clear evidence of low- and high-frequency inelastic shoulders related to transverse and longitudinal modes, respectively. Upon increasing the momentum transfer, the spectral shape evolves from a viscoelastic regime, where the low-frequency mode is clearly over-damped, toward an elastic one where its propagation becomes instead allowed. The crossover between the two regimes occurs whenever both the characteristic frequency and the linewidth of the low-frequency mode match the inverse of the structural relaxation time. Furthermore, we observe that the frequency of the transverse mode undergoes a discontinuity across the melting, whose extent reduces upon increasing the exchanged momentum.

  16. Study of microdosimetric energy deposition patterns in tissue-equivalent medium due to low-energy neutron fields using a graphite-walled proportional counter.

    PubMed

    Waker, A J; Aslam

    2011-06-01

    To improve radiation protection dosimetry for low-energy neutron fields encountered in nuclear power reactor environments, there is increasing interest in modeling neutron energy deposition in metrological instruments such as tissue-equivalent proportional counters (TEPCs). Along with these computational developments, there is also a need for experimental data with which to benchmark and test the results obtained from the modeling methods developed. The experimental work described in this paper is a study of the energy deposition in tissue-equivalent (TE) medium using an in-house built graphite-walled proportional counter (GPC) filled with TE gas. The GPC is a simple model of a standard TEPC because the response of the counter at these energies is almost entirely due to the neutron interactions in the sensitive volume of the counter. Energy deposition in tissue spheres of diameter 1, 2, 4 and 8 µm was measured in low-energy neutron fields below 500 keV. We have observed a continuously increasing trend in microdosimetric averages with an increase in neutron energy. The values of these averages decrease as we increase the simulated diameter at a given neutron energy. A similar trend for these microdosimetric averages has been observed for standard TEPCs and the Rossi-type, TE, spherical wall-less counter filled with propane-based TE gas in the same energy range. This implies that at the microdosimetric level, in the neutron energy range we employed in this study, the pattern of average energy deposited by starter and insider proton recoil events in the gas is similar to those generated cumulatively by crosser and stopper events originating from the counter wall plus starter and insider recoil events originating in the sensitive volume of a TEPC. PMID:21476858

  17. Evaluation of the Doppler-Broadening of Gamma-Ray Spectra from Neutron Inelastic Scattering on Light Nuclei

    SciTech Connect

    Womble, Phillip C.; Barzilov, Alexander; Novikov, Ivan; Howard, Joseph; Musser, Jason

    2009-03-10

    Neutron-induced gamma-ray reactions are extensively used in the nondestructive analysis of materials and other areas where the information about the chemical composition of a substance is crucial. The common technique to find the intensity of the gamma ray is to fit gamma-ray line shape with an analytical function, for example, a Gaussian. However, the Gaussian fitting may fail if the gamma-ray peak is Doppler-broadened since this leads to the miscalculation of the area of the peak and, therefore, to misidentification of the material. Due to momentum considerations, Doppler-broadening occurs primarily with gamma rays from neutron-induced inelastic scattering reactions with light nuclei. The recoiling nucleus of interest must have excited states whose lifetimes are much smaller than the time of flight in the material. We have examined various light nuclei bombarded by 14 MeV neutrons to predict when the peak shape of a neutron-induced gamma ray emitted from these nuclei will be Doppler-broadened. We have found that nearly all the gamma rays from neutron-induced gamma-ray reactions on light elements (A<20) are Doppler-broadened with only a few exceptions. This means that utilization of resolution curves derived from isotopic sources or thermal neutron capture reactions have little value in the analysis.

  18. Measurement of the Absolute Elastic and Inelastic Differential Neutron Cross Sections for 23Na Between 2 and 4 MeV

    NASA Astrophysics Data System (ADS)

    Kumar, A.; Chakraborty, A.; Crider, B. P.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Yates, S. W.; Hicks, S. F.; Kersting, L. J.; Luke, C. J.; McDonough, P. J.; Sigillito, A. J.; Vanhoy, J. R.

    2013-03-01

    Elastic and inelastic neutron scattering angular distributions have been measured from 23Na for incident neutron energies between 2 and 4 MeV at the University of Kentucky using neutron time-of-flight techniques. The cross sections obtained are important for applications in nuclear reactor development and other areas, and they are an energy region in which existing data are very sparse. Absolute cross sections were obtained by normalizing Na angular distributions to the well-known np cross sections.

  19. Encapsulation of paclitaxel into a bio-nanocomposite. A study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Martins, Murillo L.; Orecchini, Andrea; Aguilera, Luis; Eckert, Juergen; Embs, Jan; Matic, Aleksander; Saeki, Margarida J.; Bordallo, Heloisa N.

    2015-01-01

    The anticancer drug paclitaxel was encapsulated into a bio-nanocomposite formed by magnetic nanoparticles, chitosan and apatite. The aim of this drug carrier is to provide a new perspective against breast cancer. The dynamics of the pure and encapsulated drug were investigated in order to verify possible molecular changes caused by the encapsulation, as well as to follow which interactions may occur between paclitaxel and the composite. Fourier transformed infrared spectroscopy, thermal analysis, inelastic and quasi-elastic neutron scattering experiments were performed. These very preliminary results suggest the successful encapsulation of the drug.

  20. Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue.

    PubMed

    Vonci, Michele; Giansiracusa, Marcus J; Gable, Robert W; Van den Heuvel, Willem; Latham, Kay; Moubaraki, Boujemaa; Murray, Keith S; Yu, Dehong; Mole, Richard A; Soncini, Alessandro; Boskovic, Colette

    2016-02-01

    Ab initio calculations carried out on the Tb analogue of the single-molecule magnet family Na9[Ln(W5O18)2] (Ln = Nd, Gd, Ho and Er) have allowed interpretation of the inelastic neutron scattering spectra. The combined experimental and theoretical approach sheds new light on the sensitivity of the electronic structure of the Tb(III) ground and excited states to small structural distortions from axial symmetry, thus revealing the subtle relationship between molecular geometry and magnetic properties of the two isostructural species that comprise the sample. PMID:26690503

  1. High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal-organic framework material HKUST-1

    NASA Astrophysics Data System (ADS)

    Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Millange, Franck; Walton, Richard I.

    2013-12-01

    We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal-organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal-organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

  2. Vibrational dynamics in dendridic oligoarylamines by Raman spectroscopy and incoherent inelastic neutron scattering.

    PubMed

    Kulszewicz-Bajer, Irena; Louarn, Guy; Djurado, David; Skorka, Lukasz; Szymanski, Marek; Mevellec, Jean Yves; Rols, Stephane; Pron, Adam

    2014-05-15

    Vibrational dynamics in triarylamine dendrimers was studied in a complementary way by Raman and infrared (IR) spectroscopies and incoherent inelastic neutron scattering (IINS). Three molecules were investigated, namely, unsubstituted triarylamine dendrimer of the first generation and two dendrimers of the first and second generation, substituted in the crown with butyl groups. To facilitate the assignment of the observed IR and Raman modes as well as the IINS peaks, vibrational models, based on the general valence force field method (GVFF), were calculated for all three compounds studied. A perfect consistency between the calculated and experimental results was found. Moreover, an important complementarity of the vibrational spectroscopies and IINS was established for the investigated dendrimers. The IINS peaks originating mainly from the C-H motions were not restricted by particular selection rules and only dependent on the IINS cross section. To the contrary, Raman and IR bands were imposed by the selection rules and the local geometry of the dendrimers yielding mainly C-C and C-N deformation modes with those of C-H nature of much lower intensity. Raman spectroscopy was also applied to the studies of the oxidation of dendrimers to their cationic forms. A strong Raman resonance effect was observed, since the spectra of the studied compounds, registered at different levels of their oxidation, strongly depended on the position of the excitation line with respect to their electronic spectrum. In particular, the blue (458 nm) excitation line turned out to be insensitive toward the cationic forms yielding very limited spectral information. To the contrary, the use of the red (647 nm) and infrared (1064 nm) excitation lines allowed for an unambiguous monitoring of the spectral changes in dendrimers oxidized to nominally monocationic and tricationic states. The analysis of oxidation-induced spectral changes in the tricationic state indicated that the charge storage

  3. Application of epithermal neutron activation in multielement analysis of silicate rocks employing both coaxial Ge(Li) and low energy photon detector systems

    USGS Publications Warehouse

    Baedecker, P.A.; Rowe, J.J.; Steinnes, E.

    1977-01-01

    The instrumental activation analysis of silicate rocks using epithermal neutrons has been studied using both high resolution coaxial Ge(Li) detectors and low energy photon detectors, and applied to the determination of 23 elements in eight new U.S.G.S. standard rocks. The analytical use X-ray peaks associated with electron capture or internal conversion processes has been evaluated. Of 28 elements which can be considered to be determinable by instrumental means, the epithermal activation approach is capable of giving improved sensitivity and precision in 16 cases, over the normal INAA procedure. In eleven cases the use of the low energy photon detector is thought to show advantages over convertional coaxial Ge(Li) spectroscopy. ?? 1977 Akade??miai Kiado??.

  4. Magnetic Excitations in the Orbitally Degenerate Triangular Lattice LiVO2 Studied by Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Tian, W.; Stone, M. B.; Mandrus, D. G.; Sales, B. C.; Jin, R.; Adroja, D. T.; Perring, T.; Nagler, S. E.

    2006-03-01

    Inelastic neutron scattering experiments were performed to study a two dimensional triangular lattice material LiVO2 (S=1, V^3+ ions) with orbital ordering involving threefold degenerate t2g orbitals. At Tt 500 K, LiVO2 undergoes a first order phase transition, accompanied by a large reduction in the magnetic susceptibility in the low temperature phase. It has been proposed that this phase transition is associated with the formation of trimers of V^3+ ions yielding a spin-singlet ground state. We report inelastic neutron scattering measurements on powder and single crystal samples of LiVO2 carried out using the HET and MAPS spectrometers at ISIS. At low temperature, several magnetic excitations with energy transfers as large as several hundred meV were observed. We propose that the observed multiple magnetic excitations arise from the orbital ordering. Model calculations for trimers including an orbital-ordering term showing qualitatively similar spectra suggesting that localized orbiton excitations have been observed in LiVO2.

  5. Crystal field excitations in CeCu2Ge2: Revisited employing a single crystal and inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Loewenhaupt, Michael; Faulhaber, Enrico; Schneidewind, Astrid; Deppe, Micha; Hradil, Klaudia

    2012-04-01

    The intermetallic compound, CeCu2Ge2, is the counterpart of the heavy-fermion superconductor CeCu2Si2. CeCu2Ge2 is a magnetically ordering (TN = 4.1K) Kondo lattice with a moderate Sommerfeld coefficient of 140 mJ/ molK2. Earlier inelastic neutron measurements on a polycrystalline sample revealed a doublet ground state and a quasi-quartet excited state at 16.5 meV, although a splitting of the 4f1 (J = 5/2) ground state multiplet into 3 doublets is expected from the point symmetry of the Ce3+ ions. We performed detailed inelastic neutron scattering experiments on a single crystal at the thermal triple-axis spectrometer PUMA at FRM II for different crystallographic directions. From our results we infer that the quasi-quartet, in fact, consists of two doublets at 17.0 and 18.3 meV which exhibit a strong directional dependence of their transition matrix elements to the ground state doublet. Finally, we will present a new set of crystal field parameters.

  6. Measurement of low energy neutron spectrum below 10 keV with the slowing down time method

    NASA Astrophysics Data System (ADS)

    Maekawa, F.; Oyama, Y.

    1996-02-01

    No general-purpose method of neutron spectrum measurement in the energy region around eV has been established so far. Neutron spectrum measurement in this energy region was attempted by applying the slowing down time (SDT) method, for the first time, inside two types of shield for fusion reactors, type 316 stainless steel (SS316) and SS316/water layered assemblies, incorporating with pulsed neutrons. In the SS316 assembly, neutron spectra below 1 keV were measured with an accuracy less than 10%. Although application of the SDT method was expected very difficult for SS316/water assembly since it contained lightest atoms of hydrogen, the measurement demonstrated that the SDT method was still effective for such shield assembly. The SDT method was also extended to thermal flux measurement in the SS316/water assembly. The present study demonstrated that the SDT method was effective for neutron spectrum measurement in the energy region around eV.

  7. Inelastic neutron scattering studies of 76Ge and 76Se: relevance to elevance to neutrinoless double-β decay

    NASA Astrophysics Data System (ADS)

    Crider, B. P.; Peters, E. E.; Ross, T. J.; McEllistrem, M. T.; Prados-Estévez, F. M.; Allmond, J. M.; Vanhoy, J. R.; Yates, S. W.

    2015-05-01

    Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched 76Ge and 76Se scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, γ-ray cross sections for the 76Ge(n,n'γ) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of γ rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double β decay of 76Ge. Gamma rays from the three strongest branches from the 3952-keV level were observed, but the previously reported 2041-keV γ ray was not. Population cross sections across the range of incident neutron energies were determined for the 3952-keV level, resulting in a cross section of ~0.1 mb for the 2041-keV branch using the previously determined branching ratios. Beyond this, the data from these experiments indicate that previously unreported γ rays from levels in 76Ge can be found in the 2039-keV region.

  8. Inelastic neutron scattering studies of Ge-76 and Se-76: relevance to neutrinoless double-beta decay

    SciTech Connect

    Crider, Ben; Peters, Erin; Ross, T.J.; McEllistrem, M; Prados-Estevez, F.; Allmond, James M; Vanhoy, J.R.; Yates, S.W.

    2015-01-01

    Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched Ge-76 and Se-76 scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, gamma-ray cross sections for the Ge-76(n,n'gamma) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of gamma rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double beta decay of Ge-76. Gamma rays from the three strongest branches from the 3952-keV level were observed, but the previously reported 2041-keV gamma ray was not. Population cross sections across the range of incident neutron energies were determined for the 3952-keV level, resulting in a cross section of similar to 0.1 mb for the 2041-keV branch using the previously determined branching ratios. Beyond this, the data from these experiments indicate that previously unreported gamma rays from levels in Ge-76 can be found in the 2039-keV region.

  9. Soil carbon measurement using non-invasive inelastic neutron scattering technique

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Rapid and accurate procedures are needed to not only quantify but also to assess changes in soil C due to changes in adopted management systems. Current procedures that are used to evaluate soil C are invasive, costly, and are time and labor intensive. Emerging technologies including Inelastic Neutr...

  10. Neutron capture and inelastic scattering cross sections for {sup 186}Os, {sup 187}Os, and {sup 189}Os and the Re-Os chronology

    SciTech Connect

    Segawa, M.; Nagai, Y.; Masaki, T.; Temma, Y.; Shima, T.; Mishima, K.; Igashira, M.; Goriely, S.; Koning, A.; Hilaire, S.

    2008-05-21

    We measured the neutron capture cross sections of {sup 186,187,189}Os taking for the first time their pulse height spectra for neutrons between 5 and 90 keV by means of an anti-Compton NaI(Tl) spectrometer. The neutron inelastic scattering cross section for {sup 187}Os as well as the neutron elastic scattering cross sections for {sup 186,187}Os were also observed with use of {sup 6}Li-glass scintillation detectors with a small systematic uncertainty.

  11. Beam measurements on the H- source and Low Energy Beam Transport system for the Spallation Neutron Source

    SciTech Connect

    Thomae, R.; Gough, R.; Keller, R.; Leung, K.N.; Schenkel, T.; Aleksandrov, A.; Stockli, M.; Welton, R.

    2001-09-01

    The ion source and Low Energy Beam Transport section of the front-end systems presently being built by Berkeley Lab are required to provide 50 mA of H - beam current at 6% duty factor (1 ms pulses at 60 Hz) with a normalized rms emittance of less than 0.20 p-mm-mrad. Experimental results, including emittance, chopping, and steering measurements, on the performance of the ion source and LEBT system operated at the demanded beam parameters will be discussed.

  12. The gamma rays associated with the inelastic scattering of 14 MeV neutrons in large samples of iron

    NASA Astrophysics Data System (ADS)

    Al-Shalabi, B.; Cox, A. J.

    1983-02-01

    Iron is likely to be a common construction material in the first generation of fusion reactors and a knowledge of the effect of multiple scattering processes in large samples of this material is important for reactor design. In the present work, the angular distributions of gamma rays produced after the inelastic scattering of 14 MeV neutrons in increasing thicknesses of iron samples have been measured. The measurements were performed using an associated particle time of flight system to gate the gamma-ray signals and reduce the background to an acceptable level. The 14 MeV neutrons were produced by the T(d, n) 4He reaction with the deuterons being accelerated in a 150 KV SAMES type J accelerator at Aston and in the 3 MeV dynamitron at the Joint Radiation Centre, Birmingham. The incident neutron flux was monitored by counting the alpha particles associated with the neutrons passing through the sample. The gamma rays were detected by a NaI(Tl) scintillator mounted on a 56 AVP photo-multiplier tube. The samples of iron varied in thickness from 2 to 10.5 cm. In each case, the differential cross sections for gamma ray production at angles varying between 20° and 90° to the incident neutron beam were measured. The results were fitted to an even order Legendre polynomial. The increase in effective cross section σ due to multiple scattering effects as the sample thickness increased was found to obey the law σ = σ0 exp αx in the region considered for each sample where x is the sample thickness in mean free paths and α has an average value of 0.17 ± 1 (mean free paths) -1. The results have been analysed on a semi-empirical model based on the assumption of continuous slowing down.

  13. Low energy spin excitations in chromium metal

    SciTech Connect

    Pynn, R.; Azuah, R.T.; Stirling, W.G.; Kulda, J.

    1997-12-31

    Neutron scattering experiments with full polarization analysis have been performed with a single crystal of chromium to study the low-energy spin fluctuations in the transverse spin density wave (TSDW) state. A number of remarkable results have been found. Inelastic scattering observed close to the TSDW satellite positions at (1 {+-} {delta},0,0) does not behave as expected for magnon scattering. In particular, the scattering corresponds to almost equally strong magnetization fluctuations both parallel and perpendicular to the ordered moments of the TSDW phase. As the Neel temperature is approached from below, scattering at the commensurate wavevector (1,0,0) increases in intensity as a result of critical scattering at silent satellites (1,0, {+-} {delta}) being included within the spectrometer resolution function. This effect, first observed by Sternlieb et al, does not account for all of the inelastic scattering around the (1,0,0) position, however, Rather, there are further collective excitations, apparently emanating from the TSDW satellites, which correspond to magnetic fluctuations parallel to the ordered TSDW moments. These branches have a group velocity that is close to that of (1,0,0) longitudinal acoustic (LA) phonons, but assigning their origin to magneto-elastic scattering raises other unanswered questions.

  14. Inelastic neutron scattering study of Ni-substituted Ce0.5Fe4Sb12 skutterudite compounds

    NASA Astrophysics Data System (ADS)

    Girard, L.; Adroja, D. T.; Chapon, L.; Taylor, J. W.; Viennois, R.; Ravot, D.; Paschen, S.

    2012-12-01

    An inelastic neutron scattering study of the filled and partially-filled skutterudite compounds RFe4Sb12 and R0.5Fe2.75Ni1.25Sb12 (where R = Ce and La) was carried out to understand the nature of the spin dynamics. Strong magnetic scattering was observed in Ce0.5Fe2.75Ni1.25Sb12 at ~ 5 meV. The integrated intensity of this peak does not follow the Ce3+ form factor, but exhibits a maximum at a momentum transfer (|Q|) of 2 Å-1. We attribute this feature to a Ce3+ crystal field excitation in the presence of magnetic exchange interactions. This picture is supported by thermodynamic and magnetic properties. Finally, we confirm the presence of a spin gap in CeFe4Sb12 suggested by our previous work.

  15. Inelastic Neutron Scattering and Molecular Dynamics Determination of the Interaction Potential in Liquid CD{sub 4}

    SciTech Connect

    Guarini, E.; Barocchi, F.

    2007-10-19

    Anisotropic interactions of liquid CD{sub 4} are studied in detail by comparison of inelastic neutron Brillouin scattering data with molecular dynamics simulations using up to four different models of the methane site-site potential. We demonstrate that the experimental dynamic structure factor S(Q,{omega}) acts as a highly discriminating quantity for possible interaction schemes. In particular, the Q evolution of the spectra enables a selective probing of the short- and medium-range features of the anisotropic potentials. We show that the preferential configuration of methane dimers at liquid densities can thus be discerned by analyzing the orientation-dependent model potential curves, in light of the experimental and simulation results.

  16. Assignment of the Internal Vibrational Modes of C70 by Inelastic Neutron Scattering Spectroscopy and Periodic-DFT.

    PubMed

    Refson, Keith; Parker, Stewart F

    2015-10-01

    The fullerene C70 may be considered as the shortest possible nanotube capped by a hemisphere of C60 at each end. Vibrational spectroscopy is a key tool in characterising fullerenes, and C70 has been studied several times and spectral assignments proposed. Unfortunately, many of the modes are either forbidden or have very low infrared or Raman intensity, even if allowed. Inelastic neutron scattering (INS) spectroscopy is not subject to selection rules, and all the modes are allowed. We have obtained a new INS spectrum from a large sample recorded at the highest resolution available. An advantage of INS spectroscopy is that it is straightforward to calculate the spectral intensity from a model. We demonstrate that all previous assignments are incorrect in at least some respects and propose a new assignment based on periodic density functional theory (DFT) that successfully reproduces the INS, infrared, and Raman spectra. PMID:26491642

  17. The application of inelastic neutron scattering to investigate the steam reforming of methane over an alumina-supported nickel catalyst

    NASA Astrophysics Data System (ADS)

    McFarlane, Andrew R.; Silverwood, Ian P.; Norris, Elizabeth L.; Ormerod, R. Mark; Frost, Christopher D.; Parker, Stewart F.; Lennon, David

    2013-12-01

    An alumina-supported nickel catalyst, previously used in methane reforming experiments employing CO2 as the oxidant, is applied here in the steam reforming variant of the process. Micro-reactor experiments are used to discern an operational window compatible with sample cells designed for inelastic neutron scattering (INS) experiments. INS spectra are recorded after 6 h reaction of a 1:1 mixture of CH4 and H2O at 898 K. Weak INS spectra are observed, indicating minimal hydrogen retention by the catalyst in this operational regime. Post-reaction, the catalyst is further characterised by powder X-ray diffraction, transmission electron microscopy and Raman scattering. In a comparable fashion to that seen for the ‘dry’ reforming experiments, the catalyst retains substantial quantities of carbon in the form of filamentous coke. The role for hydrogen incorporation by the catalyst is briefly considered.

  18. Inelastic neutron scattering, lattice dynamics, and high-pressure phase stability of zircon-structured lanthanide orthophosphates

    SciTech Connect

    Bose, Preyoshi P.; Mittal, R; Chaplot, S L; Loong, C. K.; Boatner, Lynn A

    2010-01-01

    Inelastic neutron-scattering experiments and lattice-dynamical calculations are reported on a series of rareearth orthophosphates RPO4 R=Tm, Er, Ho, and Tb. The experimental phonon spectra for the compounds are in good agreement with our model calculations. The lattice-dynamical model is found useful for the calculation of various thermodynamic properties such as the lattice specific heat, thermal expansion, and equation of state of these compounds. The RPO4 compounds are known to transform to the scheelite body-centered tetragonal, I41 /a or monoclinic phase P21 /n at high pressures. Our calculations show that while the scheelite phase stabilizes at high pressure due to its lower volume, the monoclinic phase may occur as an intermediate phase depending on the ionic size of the R atom. The latter phase is stabilized at higher temperature at high pressure due to its high vibrational entropy. A pressure-temperature phase diagram is proposed.

  19. Assignment of the Internal Vibrational Modes of C70 by Inelastic Neutron Scattering Spectroscopy and Periodic-DFT

    PubMed Central

    Refson, Keith; Parker, Stewart F

    2015-01-01

    The fullerene C70 may be considered as the shortest possible nanotube capped by a hemisphere of C60 at each end. Vibrational spectroscopy is a key tool in characterising fullerenes, and C70 has been studied several times and spectral assignments proposed. Unfortunately, many of the modes are either forbidden or have very low infrared or Raman intensity, even if allowed. Inelastic neutron scattering (INS) spectroscopy is not subject to selection rules, and all the modes are allowed. We have obtained a new INS spectrum from a large sample recorded at the highest resolution available. An advantage of INS spectroscopy is that it is straightforward to calculate the spectral intensity from a model. We demonstrate that all previous assignments are incorrect in at least some respects and propose a new assignment based on periodic density functional theory (DFT) that successfully reproduces the INS, infrared, and Raman spectra. PMID:26491642

  20. Communication: The H{sub 2}@C{sub 60} inelastic neutron scattering selection rule: Expanded and explained

    SciTech Connect

    Poirier, Bill

    2015-09-14

    Recently [M. Xu et al., J. Chem. Phys. 139, 064309 (2013)], an unexpected selection rule was discovered for the title system, contradicting the previously held belief that inelastic neutron scattering (INS) is not subject to any selection rules. Moreover, the newly predicted forbidden transitions, which emerge only in the context of coupled H{sub 2} translation-rotation (TR) dynamics, have been confirmed experimentally. However, a simple physical understanding, e.g., based on group theory, has been heretofore lacking. This is provided in the present paper, in which we (1) derive the correct symmetry group for the H{sub 2}@C{sub 60} TR Hamiltonian and eigenstates; (2) complete the INS selection rule, and show that the set of forbidden transitions is actually much larger than previously believed; and (3) evaluate previous theoretical and experimental results, in light of the new findings.

  1. Field and temperature dependence of electromagnon scattering in TbMnO3 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Holbein, S.; Steffens, P.; Finger, T.; Komarek, A. C.; Sidis, Y.; Link, P.; Braden, M.

    2015-01-01

    Inelastic neutron scattering techniques have been used to study the field-induced multiferroic transition and the temperature dependence of magnetic excitations in TbMnO3. The significant changes in the spin-wave spectra across the field-induced transition perfectly agree with a rotation of the cycloidal spiral plane and with efficient pinning in the commensurate high-field phase. Further analysis of the Q dependence allows the identification of an electromagnon in the multiferroic high-field phase whose energy and polarization precisely matches previous infrared data. This and the zero-field temperature dependence of a zone-center magnon, which exactly agrees with that of an optically detected excitation, document that the inverse Dzyaloshinskii-Moriya interaction induces an electromagnon hybrid excitation in TbMnO3.

  2. Electronic transitions of Ho in Pb2Sr2HoCu3O8 observed by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Soderholm, L.; Loong, C.-K.; Xue, J. S.; Hammonds, J. P.; Greedan, J. E.; Maric, M.

    1993-05-01

    The electronic behavior of the 5I8 Russell Saunders ground multiplet of Ho3+ in Pb2Sr2HoCu3O8 has been investigated using inelastic neutron scattering. We observe ten peaks in the excitation spectra that are associated with crystal field transitions. The peaks are only slightly broader than expected from instrument resolution, indicating that there are no strong interactions between the local Ho f states and the CuO conduction states. Comparing the energies and intensities of the experimental peaks with those expected from modeling convinces us that there are at least three states populated at the temperature of our experiment (15 K), making the assignments of transitions very difficult in the absence of further data.

  3. Inelastic-neutron-scattering study of the Er3+ energy levels in ErBa2Cu3O7

    NASA Astrophysics Data System (ADS)

    Soderholm, L.; Loong, C.-K.; Kern, S.

    1992-05-01

    Magnetic excitation spectra of ErBa2Cu3O7 have been measured by use of inelastic neutron scattering. Optimal experimental conditions allow the resolution of the transitions between the Er3+ ground state and all seven excited states within the 4I15/2 Russell-Saunders ground multiplet. The data are analyzed in terms of an intermediate-coupling crystal-field model, calculated using spherical-tensor techniques. Calculated spectra based on the results of this analysis are consistent with all experimental spectra, including those obtained at higher temperatures. The eigenfunctions and eigenvalues obtained from this analysis are used to calculate the magnetic properties expected of Er3+ in this crystal environment.

  4. Microscopic time-dependent analysis of neutrons transfers at low-energy nuclear reactions with spherical and deformed nuclei

    NASA Astrophysics Data System (ADS)

    Samarin, Viacheslav

    2014-03-01

    Time-dependent Schrödinger equation is numerically solved by difference method for external neutrons of nuclei 6He, 18O, 48Са, 238U at their grazing collisions with energies in the vicinity of a Coulomb barrier. The spin-orbital interaction and Pauli's exclusion principle were taken into consideration during the solution.

  5. Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra.

    PubMed

    Pham, Tony; Forrest, Katherine A; Space, Brian; Eckert, Juergen

    2016-06-29

    The inelastic scattering of neutrons from adsorbed H2 is an effective and highly sensitive method for obtaining molecular level information on the type and nature of H2 binding sites in porous materials. While these inelastic neutron scattering (INS) spectra of the hindered rotational and translational excitations on the adsorbed H2 contain a significant amount of information, much of this can only be reliably extracted by means of a detailed analysis of the spectra through the utilization of models and theoretical calculations. For instance, the rotational tunneling transitions observed in the INS spectra can be related to a value for the barrier to rotation for the adsorbed H2 with the use of a simple phenomenological model. Since such an analysis is dependent on the model, it is far more desirable to use theoretical methods to compute a potential energy surface (PES), from which the rotational barriers for H2 adsorbed at a particular site can be determined. Rotational energy levels and transitions for the hindered rotor can be obtained by quantum dynamics calculations and compared directly with experiment with an accuracy subject only to the quality of the theoretical PES. In this paper, we review some of the quantum and classical mechanical calculations that have been performed on H2 adsorbed in various porous materials, such as clathrate hydrates, zeolites, and metal-organic frameworks (MOFs). The principal aims of these calculations have been the interpretation of the INS spectra for adsorbed H2 along with the extraction of atomic level details of its interaction with the host. We describe calculations of the PES used for two-dimensional quantum rotation as well as rigorous five-dimensional quantum coupled translation-rotation dynamics, and demonstrate that the combination of INS measurements and computational modeling can provide important and detailed insights into the molecular mechanism of H2 adsorption in porous materials. PMID:27160665

  6. Possibility of production of neutron-rich Zn and Ge isotopes in multinucleon transfer reactions at low energies

    SciTech Connect

    Adamian, G. G.; Antonenko, N. V.; Sargsyan, V. V.; Scheid, W.

    2010-02-15

    The production cross sections of new neutron-rich {sup 84,86}Zn and {sup 90,92}Ge isotopes beyond N=50 are estimated for the first time in the multinucleon transfer reactions {sup 48}Ca + {sup 238}U and {sup 48}Ca + {sup 244}Pu. The production of new isotopes in reactions with a {sup 48}Ca beam is discussed for future experiments.

  7. Determination of low-energy parameters of neutron-proton scattering on the basis of modern experimental data from partial-wave analyses

    SciTech Connect

    Babenko, V. A. Petrov, N. M.

    2007-04-15

    The triplet and singlet low-energy parameters in the effective-range expansion for neutron-proton scattering are determined by using the latest experimental data on respective phase shifts from the SAID nucleon-nucleon database. The results differ markedly from the analogous parameters obtained on the basis of the phase shifts of the Nijmegen group and contradict the parameter values that are presently used as experimental ones. The values found with the aid of the phase shifts from the SAID nucleon-nucleon database for the total cross section for the scattering of zero-energy neutrons by protons, {sigma}{sub 0} = 20.426 b, and the neutron-proton coherent scattering length, f = -3.755 fm, agree perfectly with experimental cross-section values obtained by Houk, {sigma}{sub 0} = 20.436 {+-} 0.023 b, and experimental scattering-length values obtained by Houk and Wilson, f = -3.756 {+-} 0.009 fm, but they contradict cross-section values of {sigma}{sub 0} = 20.491 {+-} 0.014 b according to Dilg and coherent-scattering-length values of f = -3.7409 {+-} 0.0011 fm according to Koester and Nistler.

  8. Analysis of lateritic material from Cerro Impacto by instrumental neutron activation employing a low-energy photon semiconductor and a high-energy Ge(Li) detector

    SciTech Connect

    LaBrecque, J.J.; Beusen, J.M.; Van Grieken, R.E.

    1986-01-01

    Nineteen elements were determined in four different grain size fractions of a bulk geological material from Cerro Impacto for a study of the physical (mechanical) concentration process of different elements based upon the hardness of the different minerals. The analysis was performed by excitation of the sample with a high, slow neutron flux followed by gamma-ray spectroscopy with both a conventional Ge(Li) high-energy detector and a low-energy photon detector (LEPD). The accuracy of this method was studied with the use of two standard reference materials, SY-2 and SY-3, which are similar to the real samples. The values determined were also compared with a secondary target x-ray fluorescence method for all the elements that were suitable to both methods. Actually, the x-ray fluorescence method was found to be more complementary than competitive. 10 refs., 2 figs., 4 tabs.

  9. Inelastic neutron scattering of the itinerant magnets Cr2Te3 and tr-Cr5Te8

    NASA Astrophysics Data System (ADS)

    Aczel, Adam; Granroth, Garrett; Ghimire, Nirmal; McGuire, Michael; Mandrus, David; Nagler, Steve

    2012-02-01

    Itinerant magnets based on transition metal chalcogenide compounds are of current interest, in part due to their relationship to the parent compounds of Fe-based superconductors. Two particularly interesting systems in this family are the chromium tellurides Cr2Te3 and trigonal (tr) Cr5Te8. These materials crystallize in layered structures with alternating partially and fully-occupied planes of Cr atoms stacked along the c-axis. Magnetization measurements along different crystallographic directions show a net ferromagnetic response and large magnetic anisotropy. In addition, the saturation moments are smaller than predicted by an ionic model; consistent with itinerant behavior. Previous neutron diffraction results for Cr2Te3 revealed an ordered moment of < 0.2 μB in the partially-occupied planes. We examined the magnetic excitations in these materials by powder neutron spectroscopy measurements using the SEQUOIA instrument at the SNS. We find similar moment sizes for the magnetic Cr atoms of both systems. However, despite their similar crystal structures, ordered moment sizes, and chemical compositions, their magnetic excitation spectra are strikingly different. We compare our data to the predictions of various models in an effort to determine the relevant exchange parameters, put constraints on their magnitudes, and understand the differences between the inelastic magnetic spectra. We find that exchange along the c-direction is critical to explain our data.

  10. Inelastic neutron scattering cross sections for 76Ge relevant to background in neutrinoless double-β decay experiments

    NASA Astrophysics Data System (ADS)

    Crider, B. P.; Peters, E. E.; Allmond, J. M.; McEllistrem, M. T.; Prados-Estévez, F. M.; Ross, T. J.; Vanhoy, J. R.; Yates, S. W.

    2015-09-01

    The experimental signature in searches for the neutrinoless double-β decay of 76Ge is a peak near 2039 keV in the spectrum. Given the low probability of the process, it is important that the background in this region be well understood. Inelastic scattering reactions with neutrons from muon-induced interactions and (α ,n ) reactions in the surrounding materials or in the detector can provide contributions to the background. We have measured the production cross sections for γ rays from the 76Ge(n ,n'γ ) reaction in the 2039-keV region at incident neutron energies up to 4.9 MeV. In addition to determining that the cross sections of a previously known 2040.7-keV γ ray from the 3952-keV level in 76Ge are rather small, we find that a larger contribution arises from a 2037.5-keV γ ray which is attributed to a newly identified level at 3147 keV in 76Ge. A third contribution is also possible from another new level at 3577 keV. These results indicate that the 2039-keV region in 76Ge neutrinoless double-β decay searches is more complex than was previously thought.

  11. Inelastic neutron scattering cross sections for 76Ge relevant to background in neutrinoless double-beta decay experiments

    DOE PAGESBeta

    Crider, Ben; Peters, Erin; Allmond, James M; McEllistrem, M; Prados-Estevez, F.; Ross, T.J.; Vanhoy, J.R.; Yates, S.W.

    2015-01-01

    The experimental signature in searches for the neutrinoless double- decay of 76Ge is a peak near 2039 keV in the spectrum. Given the low probability of the process, it is important that the background in this region be well understood. Inelastic scattering reactions with neutrons from muon-induced interactions and ( ,n) reactions in the surrounding materials or in the detector can provide contributions to the background. We have measured the production cross sections for rays from the 76Ge(n,n ) reaction in the 2039-keV region at incident neutron energies up to 4.9 MeV. In addition to determining that the cross sectionsmore » of a previously known 2040.7-keV ray from the 3952-keV level in 76 Ge are rather small, we find that a larger contribution arises from a 2037.5-keV ray which is attributed to a newly identified level at 3147 keV in 76Ge. A third contribution is also possible from another new level at 3577 keV. These results indicate that the 2039-keV region in 76Ge neutrinoless double- decay searches is more complex than was previously thought.« less

  12. Inelastic neutron scattering cross sections for Ge76 relevant to background in neutrinoless double- β decay experiments

    DOE PAGESBeta

    Crider, B. P.; Peters, E. E.; Allmond, J. M.; McEllistrem, M. T.; Prados-Estévez, F. M.; Ross, T. J.; Vanhoy, J. R.; Yates, S. W.

    2015-09-11

    The experimental signature in searches for the neutrinoless double- decay of 76Ge is a peak near 2039 keV in the spectrum. Given the low probability of the process, it is important that the background in this region be well understood. Moreover, inelastic scattering reactions with neutrons from muon-induced interactions and ( ,n) reactions in the surrounding materials or in the detector can provide contributions to the background. We also measured the production cross sections for rays from the 76Ge(n,n ) reaction in the 2039-keV region at incident neutron energies up to 4.9 MeV. In addition to determining that the crossmore » sections of a previously known 2040.7-keV ray from the 3952-keV level in 76 Ge are rather small, we find that a larger contribution arises from a 2037.5-keV ray which is attributed to a newly identified level at 3147 keV in 76Ge. Finally, a third contribution is also possible from another new level at 3577 keV. These results indicate that the 2039-keV region in 76Ge neutrinoless double- decay searches is more complex than was previously thought.« less

  13. Anharmonic lattice dynamics of Ag2O studied by inelastic neutron scattering and first-principles molecular dynamics simulations

    SciTech Connect

    Lan, Tian; Li, Chen; Niedziela, Jennifer L; Smith, Hillary; Abernathy, Douglas L; Rossman, George; Fultz, B.

    2014-01-01

    Inelastic neutron scattering measurements on silver oxide (Ag2O) with the cuprite structure were performed at temperatures from 40 to 400 K, and Fourier transform far-infrared spectra were measured from 100 to 300 K. The measured phonon densities of states and the infrared spectra showed unusually large energy shifts with temperature, and large linewidth broadenings. First principles molecular dynamics (MD) calculations were performed at various temperatures, successfully accounting for the negative thermal expansion (NTE) and local dynamics. Using the Fourier-transformed velocity autocorrelation method, the MD calculations reproduced the large anharmonic effects of Ag2O, and were in excellent agreement with the neutron scattering data. The quasiharmonic approximation (QHA) was less successful in accounting for much of the phonon behavior. The QHA could account for some of the NTE below 250 K, although not at higher temperatures. Strong anharmonic effects were found for both phonons and for the NTE. The lifetime broadenings of Ag2O were explained by anharmonic perturbation theory, which showed rich interactions between the Ag-dominated modes and the O-dominated modes in both up- and down-conversion processes.

  14. STUDY MAGNETIC EXCITATIONS IN DOPED TRANSITION METAL OXIDES USING INELASTIC NEUTRON SCATTERING

    SciTech Connect

    Dai, Pengcheng

    2014-02-18

    Understanding the interplay between magnetism and superconductivity continues to be a “hot” topic in modern condensed matter physics. The discovery of high-temperature superconductivity in iron-based materials in 2008 provided an unique opportunity to compare and contrast these materials with traditional high-Tc copper oxide superconductors. Neutron scattering plays an important role in determining the dynamical spin properties in these materials. This proposal is a continuation of previous DOE supported proposal. This report summarizes the final progress we have made over from May 2005 till Aug. 2013. Overall, we continue to carry out extensive neutron scattering experiments on Fe-based materials, focusing on understanding their magnetic properties. In addition, we have established a materials laboratory at UT that has allowed us to grow these superconductors. Because neutron scattering typically demands a large amount of samples, by growing these materials in our own laboratory, we can now pursuit neutron scattering experiments over the entire electronic phase diagram, focusing on regions of interests. The material synthesis laboratory at UT was established entirely with the support of DOE funding. This not only allowed us to carry out neutron scattering experiments, but also permit us to provide samples to other US/International collaborators for studying these materials.

  15. Neutron inelastic scattering and reactions in natural Pb as a background in neutrinoless double-{beta}-decay experiments

    SciTech Connect

    Guiseppe, V. E.; Devlin, M.; Elliott, S. R.; Fotiades, N.; Hime, A.; Nelson, R. O.; Perepelitsa, D. V.; Mei, D.-M.

    2009-05-15

    Inelastic neutron scattering and reactions on Pb isotopes can result in {gamma} rays near the signature end-point energy in a number of {beta}{beta} isotopes. In particular, there are {gamma}-ray transitions in {sup 206,207,208}Pb that might produce energy deposits at the {sup 76}GeQ{sub {beta}}{sub {beta}} in Ge detectors used for 0{nu}{beta}{beta} searches. The levels that produce these {gamma} rays can be excited by (n,n{sup '}{gamma}) or (n,xn{gamma}) reactions, but the cross sections are small and previously unmeasured. This work uses the pulsed neutron beam at the Los Alamos Neutron Science Center to directly measure reactions of interest to {beta}{beta}-decay experiments. The cross section on {sup nat}Pb to produce the 2041-keV {gamma} ray from {sup 206}Pb is measured to be 3.6 {+-} 0.7 (stat.) {+-} 0.3 (syst.) mb at {approx_equal}9.6 MeV. The cross section on {sup nat}Pb to produce the 3061,3062-keV {gamma} rays from {sup 207}Pb and {sup 208}Pb is measured to be 3.9 {+-} 0.8 (stat.) {+-} 0.4 (syst.) mb at the same energy. We report cross sections or place upper limits on the cross sections for exciting some other levels in Pb that have transition energies corresponding to Q{sub {beta}}{sub {beta}} in other {beta}{beta} isotopes.

  16. Neutron transition strengths of 2{sub 1}{sup +} states in the neutron-rich oxygen isotopes determined from inelastic proton scattering

    SciTech Connect

    Nguyen Dang Chien; Khoa, Dao T.

    2009-03-15

    A coupled-channel analysis of the {sup 18,20,22}O(p,p{sup '}) data has been performed to determine the neutron transition strengths of the 2{sub 1}{sup +} states in oxygen targets, using the microscopic optical potential and inelastic form factor calculated in the folding model. A complex density- and isospin-dependent version of the CDM3Y6 interaction was constructed, based on the Brueckner-Hartree-Fock calculation of nuclear matter, for the folding model input. Given an accurate isovector density dependence of the CDM3Y6 interaction, the isoscalar ({delta}{sub 0}) and isovector ({delta}{sub 1}) deformation lengths of the 2{sub 1}{sup +} states in {sup 18,20,22}O have been extracted from the folding model analysis of the (p,p{sup '}) data. A specific N dependence of {delta}{sub 0} and {delta}{sub 1} has been established which can be linked to the neutron shell closure occurring at N approaching 16. The strongest isovector deformation was found for the 2{sub 1}{sup +} state in {sup 20}O, with {delta}{sub 1} about 2.5 times larger than {delta}{sub 0}, which indicates a strong core polarization by the valence neutrons in {sup 20}O. The ratios of the neutron/proton transition matrix elements (M{sub n}/M{sub p}) determined for the 2{sub 1}{sup +} states in {sup 18,20}O have been compared with those deduced from the mirror symmetry, using the measured B(E2) values of the 2{sub 1}{sup +} states in the proton-rich {sup 18}Ne and {sup 20}Mg nuclei, to discuss the isospin impurity in the 2{sub 1}{sup +} excitation of the A=18, T=1 and A=20, T=2 isobars.

  17. Inelastic neutron scttering study o fcrystal field levels in PrOs4As12

    SciTech Connect

    Chi, Songxue; Dai, Pengcheng; Barnes, Ted {F E }; Kang, H. J.; Lynn, J. W.; Ye, Feng; Maple, M. B.

    2008-01-01

    We use neutron scattering to study the Pr$^{3+}$ crystalline electric field (CEF) excitations in the filled skutterudite PrOs$_4$As$_{12}$. By comparing the observed levels and their strengths under neutron excitation with the theoretical spectrum and neutron excitation intensities, we identify the Pr$^{3+}$ CEF levels, and show that the ground state is a magnetic $\\Gamma_4^{(2)}$ triplet, and the excited states $\\Gamma_1$, $\\Gamma_4^{(1)}$ and $\\Gamma_{23}$ are at 0.4, 13 and 23~meV, respectively. A comparison of the observed CEF levels in PrOs$_4$As$_{12}$ with the heavy fermion superconductor PrOs$_4$Sb$_{12}$ reveals the microscopic origin of the differences in the ground states of these two filled skutterudites.

  18. Spin fluctuations in La2-xSrxCuO4: NMR versus inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Barzykin, V.; Pines, D.; Thelen, D.

    1994-12-01

    We use a one-component description to analyze the current experimental situation for the low-frequency magnetic properties of La1.85Sr0.15CuO4 as determined by NMR and neutron-scattering experiments. We show that the measured 17O spin-lattice relaxation rate is in sharp conflict with the incommensurate-magnetic-structure interpretation of neutron-scattering experiments, but is quantitatively explained if the local-spin-fluctuation spectrum (measured by NMR) possesses a commensurate peak. We conclude that the formation of domains, as suggested by Slichter and Phillips, represents the best (and, quite possibly, only) way of reconciling NMR and neutron-scattering experiments on La1.85Sr0.15CuO4.

  19. A New On-the-Fly Sampling Method for Incoherent Inelastic Thermal Neutron Scattering Data in MCNP6

    SciTech Connect

    Pavlou, Andrew Theodore; Brown, Forrest B.; Ji, Wei

    2014-09-02

    At thermal energies, the scattering of neutrons in a system is complicated by the comparable velocities of the neutron and target, resulting in competing upscattering and downscattering events. The neutron wavelength is also similar in size to the target's interatomic spacing making the scattering process a quantum mechanical problem. Because of the complicated nature of scattering at low energies, the thermal data files in ACE format used in continuous-energy Monte Carlo codes are quite large { on the order of megabytes for a single temperature and material. In this paper, a new storage and sampling method is introduced that is orders of magnitude less in size and is used to sample scattering parameters at any temperature on-the-fly. In addition to the reduction in storage, the need to pre-generate thermal scattering data tables at fine temperatures has been eliminated. This is advantageous for multiphysics simulations which may involve temperatures not known in advance. A new module was written for MCNP6 that bypasses the current S(α,β) table lookup in favor of the new format. The new on-the-fly sampling method was tested for graphite for two benchmark problems at ten temperatures: 1) an eigenvalue test with a fuel compact of uranium oxycarbide fuel homogenized into a graphite matrix, 2) a surface current test with a \\broomstick" problem with a monoenergetic point source. The largest eigenvalue difference was 152pcm for T= 1200K. For the temperatures and incident energies chosen for the broomstick problem, the secondary neutron spectrum showed good agreement with the traditional S(α,β) sampling method. These preliminary results show that sampling thermal scattering data on-the-fly is a viable option to eliminate both the storage burden of keeping thermal data at discrete temperatures and the need to know temperatures before simulation runtime.

  20. Multipurpose Radiation Resistant Semiconductor Detectors for Alpha, Neutron & Low Energy Gamma Ray Measurements at High Temperatures in High-Intensity Gamma Ray

    SciTech Connect

    Ruddy, Frank H.

    2005-06-01

    Work scheduled under year two of DOE Grant DE-FG02-04ER63734 is on schedule and all year-two milestones have or will be met. Results to date demonstrate that unprecedented silicon carbide (SiC) energy resolution has been obtained, and that SiC detectors may achieve energy resolution that exceeds that obtainable with the best silicon alpha spectrometers. Fast-neutron energy spectrometry measurements indicate that recoil-ion energy spectrometry should be possible with SiC detectors. Furthermore, SiC detectors have been demonstrated to perform well even after gamma-ray exposures of 1.E09 Rad. This result and the previously demonstrated capability of SiC detectors to operate in elevated-temperature environments are very promising for potential DOE EMSP applications. A new class of multipurpose, radiation-resistant semiconductor detectors that can be used in elevated-temperature and high-radiation environments is being developed under this grant. These detectors, based on silicon carbide (SiC) semiconductor are designed to have larger active volumes than previously available SiC detectors, and are being tested for their response to alpha particles, X-rays and low energy gamma rays, and fast neutrons.

  1. Partition between the fission fragments of the excitation energy and of the neutron multiplicity at scission in low-energy fission

    NASA Astrophysics Data System (ADS)

    Carjan, N.; Hambsch, F.-J.; Rizea, M.; Serot, O.

    2012-04-01

    The partition between the light (L) and the heavy (H) fission fragments of the excitation energy available at scission is studied in the framework of the sudden approximation, i.e., under the assumption that the neck rupture and the absorption of the neck pieces by the fragments happen infinitely fast. We are dealing with a sudden transition between two different nuclear configurations (αi→αf) and we only need to know the two sets of neutron eigenstates involved. The accent in the present work is put on the dependence of this share of energy on the mass asymmetry AL/AH of the primary fission fragments during the low-energy fission of 236U. In particular, for every fragment mass A we estimate the scission neutron multiplicity νsc, the average energy cost for their release , the primary fragments' excitation energy Esc*, and the corresponding temperature Tsc. The results are analyzed separately for each value of Ω (the projection of the angular momentum on the symmetry axis). As general trends, a decrease of Esc* (Tsc) and an increase of νsc () with increasing A were observed.

  2. Nuclear Structure Relevant to Double-beta Decay: Studies of 76Ge and 76Se using Inelastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Crider, Benjamin P.

    While neutrino oscillations indicate that neutrino flavors mix and that neutrinos have mass, they do not supply information on the absolute mass scale of the three flavors of neutrinos. Currently, the only viable way to determine this mass scale is through the observation of the theoretically predicted process of neutrinoless double-beta decay (0nubetabeta). This yet-to-be-observed decay process is speculated to occur in a handful of nuclei and has predicted half-lives greater than 1025 years. Observation of 0nubetabeta is the goal of several large-scale, multinational efforts and consists of detecting a sharp peak in the summed energies at the Q-value of the reaction. An exceptional candidate for the observation of 0nubetabeta is 76Ge, which offers an excellent combination of capabilities and sensitivities, and two such collaborations, MAJORANA and GERDA, propose tonne-scale experiments that have already begun initial phases using a fraction of the material. The absolute scale of the neutrino masses hinges on a matrix element, which depends on the ground-state wave functions for both the parent (76Ge) and daughter (76Se) nuclei in the 0nubetabeta decay and can only be calculated from nuclear structure models. Efforts to provide information on the applicability of these models have been undertaken at the University of Kentucky Accelerator Laboratory using gamma-ray spectroscopy following inelastic scattering reactions with monoenergetic, accelerator-produced fast neutrons. Information on new energy levels and transitions, spin and parity assignments, lifetimes, multipole mixing ratios, and transition probabilities have been determined for 76Se, the daughter of 76Ge 0nubetabeta, up to 3.0 MeV. Additionally, inaccuracies in the accepted level schemes have been addressed. Observation of 0nubetabeta requires precise knowledge of potential contributors to background within the region of interest, i.e., approximately 2039 keV for 76Ge. In addition to backgrounds

  3. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab-initio Studies of Zero-Field Splittings

    DOE PAGESBeta

    Stavretis, Shelby E.; Atanasov, Mihail; Podlesnyak, Andrey A.; Hunter, Seth C.; Neese, Frank; Xue, Zi-Ling

    2015-10-02

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H2TPP = tetraphenylporphyrin) are determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm–1 for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm–1, E = 0.1(2) cm–1 and D = 13.4(6) cm–1, E = 0.3(6) cm–1 for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm–1 for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X =more » F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the 6A1 ground state. D was calculated from wave functions of the electronic multiplets spanned by the d5 configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX63- complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies eλX (λ = σ, π) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the experimentally deduced trend

  4. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings.

    PubMed

    Stavretis, Shelby E; Atanasov, Mihail; Podlesnyak, Andrey A; Hunter, Seth C; Neese, Frank; Xue, Zi-Ling

    2015-10-19

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H₂TPP = tetraphenylporphyrin) have been directly determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm⁻¹ for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm⁻¹, E = 0.1(2) cm⁻¹ and D = 13.4(6) cm⁻¹, E = 0.3(6) cm⁻¹ for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm⁻¹ for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X = F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the ⁶A₁ ground state. D was calculated from wave functions of the electronic multiplets spanned by the d⁵ configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the σ- and π-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX₆³⁻ complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the π- and σ-antibonding energies e(λ)(X) (λ = σ, π) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the

  5. Polarized 3He as an effective neutron target for deep inelastic scattering

    NASA Astrophysics Data System (ADS)

    Johnston, Kyle

    In undergraduate physics courses, we are all taught that a proton and a neutron both have a quantity called 'spin' which has a simple value of 1/2 in units of h. It was first naively understood that this value comes from the addition of the spins of the basic constituents, quarks and gluons. However, experiments revealed that it is not enough. The value of 1/2 has yet to be reconciled with the addition of not only the spins of the constituents but also their orbital motion. Clearly, the spin structure in terms of the basic constituents needs more investigation. This thesis aims to describe the polarization and calibration of a polarized 3He target, which can be used for probing the spin structure of the neutron in terms of its constituents, quarks and gluons.

  6. Inelastic neutron scattering study of tetramethylpyrazine in the complex with chloranilic acid

    NASA Astrophysics Data System (ADS)

    Prager, M.; Pawlukojc, A.; Sobczyk, L.; Grech, E.; Grimm, H.

    2005-09-01

    The tunnel splitting of the methyl librational ground states in the hydrogen bonded tetramethylpyrazine-chloranilic acid (TMP-CLA) complex are determined for temperatures T<=28 K by high resolution neutron spectroscopy. Three tunnel modes are resolved at T = 2.4 K. Their relative intensities show that the crystal structure must be different from the proposed space group. Tunnelling and methyl librational modes from the measured density of states are combined into rotational potentials. There are discrepancies of activation energies calculated for these potentials and those obtained from quasielastic scattering of neutrons at T>=50 K due to structural differences in the two respective temperature regimes. Rotational potentials in TMP-CLA are significantly weaker as in pure TMP.

  7. Low Energy Photodisintegration of the Deuteron and n-p Capture with Polarized Neutrons at HIγS/TUNL

    NASA Astrophysics Data System (ADS)

    Ahmed, Mohammad

    2002-04-01

    Among all the Big-Bang Nucleosynthesis (BBN) yield-relevant reactions p(n,γ)d is the most sensitive to predicting the value of the baryon density (Ω_Bh^2) (S. Burles et. al.), Phys. Rev. Letts. 82, 4176 (1999).. The world data on the p(n,γ)d or d(γ,n)p cross-section in the energy domain relevant to the BBN is sparse. Two complementary programs are in progress at TUNL and the High Intensity Gamma Source (HIγS) to study the p(n,γ)d and d(γ,n)p reactions. The capture experiment has been performed with polarized neutrons at En = 7.6 and 4 MeV. Analyzing power (A_y) has been measured at polar angles of ± 90^o w.r.t. the beam. A preliminary analysis of data at En = 7.6 indicates that A_y=-0.075±0.032. This result is in agreement with potential model (PM)(H. Arenhövel et. al.), Few Body Systems, Sup. 3 (1991). and effective field theory (EFT)(J.-W. Chen at. al.), Phys. Rev. C 60, 65205 (1999). predictions. The data at 4 MeV is under analysis. A program has been initiated at HIγS to measure the photon asymmetry (Σ) in the d(γ,n)p process using linearly polarized γ-rays. The first experiment was completed at γ energies of 6, 4, 3.5, and 2.6 MeV. The asymmetry, which is a direct measurement of the M1 relative contribution to the cross-section, has been obtained for polar angles, θ, between 22.5 and 157.5 degrees. The near threshold M1 strength which will be deduced from these measurements will provide insight into the GDH integrand for the deuteron in this region, which is predicted to contain a large negative contribution arising from the ^1S0 M1 strength.

  8. Neutron multiplicities and energy sharing in the inelastic collisions of [sup 32]S on [sup 64]Ni at [ital E]/[ital A]=4. 9 MeV

    SciTech Connect

    Fiore, L.; D'Erasmo, G.; Fiore, E.M.; Pantaleo, A.; Paticchio, V.; Petruzzelli, F.; Quirini, A.; Tagliente, G.; Lanzano, G.; Pagano, A. Dipartimento di Fisica dell'Universita 70126 Bari Istituto Nazionale di Fisica Nucleare, Sezione di Catania )

    1994-09-01

    The neutron emission from the targetlike fragments (TLF) of the inelastic reactions of 157 MeV [sup 32]S on [sup 64]Ni has been measured. Neutron energy spectra and multiplicities have been extracted as a function of the dissipated energy for six targetlike fragments mass gates between [ital A]=56 and [ital A]=70. The comparison between the data and the results of a Monte Carlo simulation based on statistical model calculations with different assumptions on the excitation energy sharing between the reaction partners evidences a dependence from the net mass flow of the evolution of the excitation energy ratios with the energy loss.

  9. Inelastic neutron scattering study and magnetic excitations on the low-dimensional antiferromagnet α - Cu2V2O7

    NASA Astrophysics Data System (ADS)

    Gitgeatpong, Ganatee; Zhao, Yang; Qiu, Yiming; Matan, Kittiwit

    Magnetic excitations of the low-dimensional antiferromagnet α - Cu2V2O7 have been investigated using inelastic neutron scattering. The study reveals unusual commensurate splitting of magnetic excitation branches centered at a wave vector (0, +/- δ , 0) with δ = 0.25 away from a magnetic zone center, where a magnetic Bragg peak is observed. The energy gap of 0.75 meV at (0, +/- δ , 0) was found to decrease as a function of temperature and the magnetic excitations become diffusive and disappear above 35 K coincident with TN = 33.4 K. A recent experiment at the Multi Axis Crystal Spectrometer, MACS, to map the excitations over a large momentum space clearly shows the splitting of the dispersion at most of the allowed magnetic reflections. This commensurate splitting of the spin-wave-type excitations without the magnetic Bragg reflections at the same commensurate wave vectors has not yet been previously observed and remains unexplained. In the presentation, the experimental data will be shown and the possible explanation will also be discussed.

  10. Magnetic model in multiferroic NdFe 3(BO 3)4 investigated by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Hayashida, S.; Soda, M.; Itoh, S.; Yokoo, T.; Ohgushi, K.; Kawana, D.; Rønnow, H. M.; Masuda, T.

    2015-08-01

    We performed inelastic neutron scattering measurements on single crystals of NdFe3(BO113 )4 to explore the magnetic excitations, to establish the underlying Hamiltonian, and to reveal the detailed nature of hybridization between the 4 f and 3 d magnetism. The observed spectra exhibiting a couple of key features, i.e., anticrossing of Nd and Fe excitations and anisotropy gap at the antiferromagnetic zone center, are explained by the magnetic model including spin interaction in the framework of weakly coupled Fe3 + chains, interaction between the Fe3 + and Nd3 + moments, and single-ion anisotropy derived from the Nd3 + crystal field. The combination of the measurements and calculations reveals that the hybridization between 4 f and 3 d magnetism propagates the local magnetic anisotropy of the Nd3 + moment to the Fe3 + network, leading to the determination of the bulk structure of both electric polarization and magnetic moment in the multiferroics of the spin-dependent metal-ligand hybridization type.