WorldWideScience

Sample records for neutron structure factors

  1. Microscopic structure factor of liquid hydrogen by neutron-diffraction measurements

    International Nuclear Information System (INIS)

    Celli, M.; Bafile, U.; Zoppi, M.; Cuello, G.J.; Formisano, F.; Guarini, E.; Magli, R.; Neumann, M.

    2005-01-01

    The center-of-mass structure factor of liquid para hydrogen has been measured, using neutron diffraction, in four thermodynamic states close to the triple point. Path integral Monte Carlo simulations have been carried out at the same temperatures and densities. The present experimental data are in reasonable quantitative agreement with the simulations and closer to these results than previous neutron determinations available in the literature. The thermodynamic derivatives of the structure factor, from both experiment and simulation, have been compared to previous measurements obtaining a quantitative consistency

  2. Deuteron A(Q2) structure function and the neutron electric form factor

    International Nuclear Information System (INIS)

    Platchkov, S.; Amroun, A.; Auffret, S.; Cavedon, J.M.; Dreux, P.; Duclos, J.; Frois, B.; Goutte, D.; Hachemi, H.; Martino, J.

    1989-01-01

    We present new measurements of the deuteron A(Q 2 ) structure function in the momentum transfer region between 1 and 18 fm -2 . The accuracy of the data ranges from 2% to 6%. We investigate the sensitivity of A(Q 2 ) to the nucleon-nucleon interaction and to the neutron electric form factor G E n . Our analysis shows that below 20 fm -2 G E n can be inferred from these data with a significantly improved accuracy. The model dependence of this analysis is discussed

  3. Neutron structure analysis using neutron imaging plate

    International Nuclear Information System (INIS)

    Karasawa, Yuko; Minezaki, Yoshiaki; Niimura, Nobuo

    1997-01-01

    Neutron is complementary against X-ray and is dispensable for structure analysis. However, because of the lack of the neutron intensity, it was not so common as X-ray. In order to overcome the intensity problem, a neutron imaging plate (NIP) has been successfully developed. The NIP has opened the door of neutron structure biology, where all the hydrogen atoms and bound water molecules of protein are determined, and contributed to development of other fields such as neutron powder diffraction and neutron radiography, too. (author)

  4. Neutron structural biology

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    1999-01-01

    Neutron structural biology will be one of the most important fields in the life sciences which will interest human beings in the 21st century because neutrons can provide not only the position of hydrogen atoms in biological macromolecules but also the dynamic molecular motion of hydrogen atoms and water molecules. However, there are only a few examples experimentally determined at present because of the lack of neutron source intensity. Next generation neutron source scheduled in JAERI (Performance of which is 100 times better than that of JRR-3M) opens the life science of the 21st century. (author)

  5. MACS, Lattice Vibrations Structure Factors for Thermal Neutron Scattering in Moderators

    International Nuclear Information System (INIS)

    McMurry, H.L.; Suitt, W.J.; Worlton, T.G.; Martin, R.M.

    1974-01-01

    1 - Description of problem or function: This package of seven related codes is basically aimed at giving maximum capability for calculating slow-neutron scattering by moderators. MACS-C computes crystal vibrations when the potential energy is a sum of parts arising from short-range forces and long-range Coulomb interactions. It also obtains Jacobian matrices for determining adjustments in force constants and ionic charge which can lead to improved agreement with data. Structure factors for neutron inelastic scattering can also be calculated. MACS-J computes the dynamical matrix for the harmonic oscillations of a crystal, its eigenvalues and eigenvectors, the corresponding structure factors for coherent single-phonon scattering of neutrons, and Jacobian matrices for use in adjusting force constants to fit calculated to observed dispersion curves. REVISED-D calculates valance coordinates in terms of mass adjusted atom displacements, together with coordinates which define rigid group rotations. REVISED-MVFC constructs force constant matrices for use in valance force potential functions which are used in other programs dealing with molecular and crystal vibrations. ADJUSTER is a force adjuster program to obtain a least squares fit to observed frequencies of molecules and crystals. DIPOLE-SUM calculates dipole sums for an arbitrary crystal. MODEL-PI calculates crystal vibrations when the potential energy is a sum of short-range and long- or intermediate-range terms in the dipole coordinate approximation. It also obtains Jacobian matrices for use in adjusting input parameters. 2 - Method of solution: In MACS-C, ADJUSTER, and REVISED-D, matrix manipulations are applied to matrices which describe physical conditions. In MACS-J, first-order difference equations are substituted for partial differential equations for Jacobian elements. In MVFC the user employs a set of criteria for defining different types of interactions to prepare by hand the input to the program. For

  6. Neutron quality factor

    International Nuclear Information System (INIS)

    1995-06-01

    Both the International Commission on Radiological Protection (ICRP) and the National Council on Radiation Protection and Measurements (NCRP) have recommended that the radiation quality weighting factor for neutrons (Q n , or the corresponding new modifying factor, w R ) be increased by a value of two for most radiation protection practices. This means an increase in the recommended value for Q n from a nominal value of 10 to a nominal value of 20. This increase may be interpreted to mean that the biological effectiveness of neutrons is two times greater than previously thought. A decision to increase the value of Q n will have a major impact on the regulations and radiation protection programs of Federal agencies responsible for the protection of radiation workers. Therefore, the purposes of this report are: (1) to examine the general concept of open-quotes quality factorclose quotes (Q) in radiation protection and the rationale for the selection of specific values of Q n ; and (2) to make such recommendations to the Federal agencies, as appropriate. This report is not intended to be an exhaustive review of the scientific literature on the biological effects of neutrons, with the aim of defending a particular value for Q n . Rather, the working group examined the technical issues surrounding the current recommendations of scientific advisory bodies on this matter, with the aim of determining if these recommendations should be adopted by the Federal agencies. Ultimately, the group concluded that there was no compelling basis for a change in Q n . The report was prepared by Federal scientists working under the auspices of the Science Panel of the Committee on Interagency Radiation Research and Policy Coordination (CIRRPC)

  7. Partial structure factors of amorphous (Fe,Co)31(Tb,Dy)69 using neutron diffraction and isomorphous substitution

    International Nuclear Information System (INIS)

    Heckele, M.; Lamparter, P.; Steeb, S.

    1993-01-01

    The partial structure factors of melt-spun amorphous (Fe,Co) 31 (Tb,Dy) 69 are determined using neutron diffraction and the method of isomorphous substitution. The over-determined system of equations given by eight measured total structure factors yielded the three partial structure factors following a so-called parabola method. The RE-RE- and TM-RE- pair correlation functions (where TM= transition metal, and RE= rare earth metal) are mainly determined by the first peak, whereas the TM-TM-pair correlation function shows a longer range correlation. The Bhatia-Thornton correlation functions reflect the large difference of the atomic diameters of the components. A slight compound forming tendency in the alloy is suggested. (authors) 5 figs., 8 refs

  8. Structure of neutron stars

    International Nuclear Information System (INIS)

    Cheong, C.K.

    1974-01-01

    Structure of neutron stars consisting of a cold and catalyzed superdense matter were investigated by integrating the equations for hydrostatic equilibrium based on the General Relativity theory. The equations of state were obtained with the help of semiempirical nuclear mass formulae. A large phase transition was found between the nuclear and subnuclear density regions. The density phase transition points were calculated as 6.2 x 10 11 and 3.8 x 10 13 g/cm 3 . Due to such a large phase transition, the equation of state practically consists of two parts: The nuclear and subnuclear phases wich are in contact under the thermodynamical equilibrium at the corresponding pressure. Some macroscopic properties of neutron stars are discussed. (Author) [pt

  9. Three-body effects from the density dependence of the neutron structure factor of gaseous 36 Ar at 140 K

    International Nuclear Information System (INIS)

    Magli, R.; Fredrikze, H.; Barocchi, F.

    1991-01-01

    We present an analysis of the density dependence of the static structure factor in low density 36 Ar gas at T = 140 K, from which we derive the three-body contribution. Within the experimental accuracy, the three-body contribution in the linear density expansion for the Fourier transform of the direct correlation function C(k) agrees, for 3 -1 , with theoretical calculations based on a pair potential and the Axilrod-Teller three-body potential, eventually modified for short-range effects; for k -1 the neutron diffraction data show a behaviour significantly different with respect to the theoretical predictions

  10. Neutron structural biology

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    2008-01-01

    Hydrogen atoms and water molecules around proteins and nucleic acids play a crucial role in many physiological functions. Neutron diffraction provides an experimental method of directly locating hydrogen atoms. (a) Since almost all the H atom positions can be identified experimentally, the geometrical details of certain types of H-bonds can be visualized and (b) as far as mechanistic implications are concerned, the identification of protonation and deprotonation states of certain important amino acid residues can be carried out. (c) The hydration structure around proteins and the hydration networks around DNA oligomers have been successfully characterized in several outstanding cases. These will open the new field beyond the folding structure of bio-macromolecules such as: 1) Recognition of proteins and nucleic acids through the network structure of water molecules surrounding bio-macromolecules, and 2) The nature of chemical bond in proteins and nucleic acids elucidated by the accumulation of accurate structural information of hydrogen atoms. (author)

  11. Neutron structural biology

    Energy Technology Data Exchange (ETDEWEB)

    Niimura, Nobuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    Neutron diffraction provides an experimental method of directly locating hydrogen atoms in protein which play important roles in physiological functions. However, there are relatively few examples of neutron crystallography in biology since it takes a lot of time to collect a sufficient number of Bragg reflections due to the low flux of neutrons illuminating the sample. In order to overcome the flux problem, we have successfully developed the neutron IP, where the neutron converter, {sup 6}Li or Gd, was mixed with a photostimulated luminescence material on flexible plastic support. Neutron Laue diffraction 2A data from tetragonal lysozyme were collected for 10 days with neutron imaging plates, and 960 hydrogen atoms in the molecule and 157 bound water molecules were identified. These results explain the proposed hydrolysis mechanism of the sugar by the lysozyme molecule and that lysozyme is less active at pH7.0. (author)

  12. Determination of the structure factor of interparticle interactions in the ferrofluid by small-angle neutron scattering

    Directory of Open Access Journals (Sweden)

    A. V. Nagornyi

    2014-03-01

    Full Text Available Results of the structure and interparticle interaction investigations of polar magnetic fluid with different con-tent of magnetite, which are obtained by small-angle neutron scattering (SANS are presented in the work. The experiment was performed on small-angle scattering spectrometer YuMO at the Pulsed Reactor IBR-2 in the Joint Institute for Nuclear Research (Dubna, Russia. Polar ferrofluid magnetite/oleic and dodecyl-benzenesulfonic acid/isobutanol was considered. It is shown that the experimental SANS curves are well described by form-factor for polydisperse spherical particles only for ferrofluids with magnetite concentration of about 0.5 vol. %. Signifi-cant effect of structural factors on the SANS spectra was observed for respectively large concentrations of mag-netic material in the volume of ferrofluid. Aggregation of magnetic particles and the molecules of the stabilizer do not occur in the considered concentration range of magnetic material. Experimentally obtained dependences of the effective structure factor as well as the comparison with the theoretical curve calculated for the hard sphere potential in polydisperse approximation are presented in the work.

  13. Structural materials evaluation by neutron diffraction method

    International Nuclear Information System (INIS)

    Suzuki, Hiroshi

    2010-01-01

    It is well known that neutron diffraction method enables us to measure residual stresses inside materials. It can also evaluate deformation behaviors and phase transformation of materials under loading at various environments such as high or low temperature and also evaluate microstructural factors such as dislocation density, cell size and texture by analyzing diffraction profile. This article reviews some topics of structural materials evaluation using neutron diffraction. (author)

  14. High temperature-high pressure apparatus for neutron diffraction on fluids: structure factor of expanded fluid rubidium

    International Nuclear Information System (INIS)

    Freyland, W.; Hensel, F.; Glaeser, W.

    1979-01-01

    The paper describes a new experimental set-up for neutron scattering experiments on fluid systems at high temperatures and pressures. This technique has been applied for the investigation of the static structure factor S(Q) of expanded fluid rubidium up to 1970 K and 150 bat. The first results obtained up to these conditions show a strong decrease of the intensity of the first peak in S(Q) and a pronounced increase of the scattering at small angles with reducing densities. Within experimental errors no shift in the position of the first peak is found above 900 K. These observations together with the corresponding behaviour of the Fourier transform of S(Q) indicate, that with expansion the distance of nearest neighbours changes only a little, whereas the number of nearest neighbours decreases by about a factor of two, if the density is reduced from 1.2 g cm -3 at 900 K. It is the first time that such a change in the microscopic structure has been studied experimentally for a fluid metal over a wide range of temperatures and densities. The correlation between the increase in S(O) and the change in the mean interatomic is briefly discussed. (orig.) 891 HK/orig. 892 BRE

  15. Complexity and neutron star structure

    International Nuclear Information System (INIS)

    Chatzisavvas, K.Ch.; Psonis, V.P.; Panos, C.P.; Moustakidis, Ch.C.

    2009-01-01

    We apply the statistical measure of complexity introduced by Lopez-Ruiz, Mancini and Calbet (1995) to neutron star structure. We continue the recent application of Sanudo and Pacheco (2009) to white dwarfs. The interplay of gravity, the short-range nuclear force and the very short-range weak interaction shows that neutron stars, under the current theoretical framework, are ordered (low complexity) systems.

  16. Magnetic structures: neutron diffraction studies

    International Nuclear Information System (INIS)

    Bouree-Vigneron, F.

    1990-01-01

    Neutron diffraction is often an unequivocal method for determining magnetic structures. Here we present some typical examples, stressing the sequence through experiments, data analysis, interpretation and modelisation. Two series of compounds are chosen: Tb Ni 2 Ge 2 and RBe 13 (R = Gd, Tb, Dy, Ho, Er). Depending on the nature of the elements, the magnetic structures produced can be commensurate, incommensurate or even show a transition between two such phases as a function of temperature. A model, taking magnetic exchange and anisotropy into account, will be presented in the case of commensurate-incommensurate magnetic transitions in RBe 13

  17. Anisotropy of the structure factor of magnetic fluids under a field probed by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Gazeau, F.; Bacri, J.-C.; Perzynski, R.; Dubois, E.; Boue, F.; Cebers, A.

    2002-01-01

    Small-angle neutron scattering is used to measure the two-dimensional diffraction pattern of a monophasic magnetic colloid, under an applied magnetic field. This dipolar system presents in zero field a fluidlike structure. It is well characterized by an interaction parameter K T 0 proportional to the second virial coefficient, which is here positive, expressing a repulsion of characteristic length κ 0 -1 . Under the field a strong anisotropy is observed at the lowest q vectors. The length κ 0 -1 remains isotropic, but the interaction parameter K T becomes anisotropic due to the long-range dipolar interaction. However, the system remains stable, the interaction being repulsive in all directions. Thus No.No.we do not observe any chaining of the nanoparticles under magnetic field. On the contrary, the revealed structure of our anisotropic colloid is a lowering of the concentration fluctuations along the field while the fluidlike structure, observed without field, is roughly preserved perpendicularly to the field. It expresses a strong anisotropy of the Brownian motion of the nanoparticles in the solution under applied field

  18. Anisotropy of the structure factor of magnetic fluids under a field probed by small-angle neutron scattering.

    Science.gov (United States)

    Gazeau, F; Dubois, E; Bacri, J C; Boué, F; Cebers, A; Perzynski, R

    2002-03-01

    Small-angle neutron scattering is used to measure the two-dimensional diffraction pattern of a monophasic magnetic colloid, under an applied magnetic field. This dipolar system presents in zero field a fluidlike structure. It is well characterized by an interaction parameter K(0)(T) proportional to the second virial coefficient, which is here positive, expressing a repulsion of characteristic length kappa-10. Under the field a strong anisotropy is observed at the lowest q vectors. The length kappa-10 remains isotropic, but the interaction parameter K(T) becomes anisotropic due to the long-range dipolar interaction. However, the system remains stable, the interaction being repulsive in all directions. Thus we do not observe any chaining of the nanoparticles under magnetic field. On the contrary, the revealed structure of our anisotropic colloid is a lowering of the concentration fluctuations along the field while the fluidlike structure, observed without field, is roughly preserved perpendicularly to the field. It expresses a strong anisotropy of the Brownian motion of the nanoparticles in the solution under applied field.

  19. Solving crystal structures from neutron diffraction data

    International Nuclear Information System (INIS)

    Wilson, C.C.

    1987-07-01

    In order to pursue crystal structure determination using neutron diffraction data, and given the wide experience available of solving structures using X-ray data, the codes used in X-ray structural analysis should be adapted to the different requirements of a neutron experiment. Modifications have been made to a direct methods program MITHRIL and to a Patterson methods program PATMET to incorporate into these the features of neutron rather than X-ray diffraction. While to date these modifications have been fairly straightforward and many sophistications remain to be exploited, results obtained from the neutron versions of both programs are promising. (author)

  20. Front lines of structural analyses by pulsed Neutron Diffraction

    International Nuclear Information System (INIS)

    Shamoto, Shin-ichi; Kodama, Katsuaki; Suzuya, Kentaro; Kamiyama, Takashi; Otomo, Toshiya; Fukunaga, Toshiharu

    2008-01-01

    The neutron is a subatomic particle without electronic charge, but has a magnetic moment. This nature leads high permeability compared to x-rays, and therefore neutrons become the powerful nondestructive probe for measurements. Diffraction patterns for wide reciprocal space can be measured by pulsed neutrons, which have been exploited for the structural analyses from amorphous materials to crystalline solids. Further, the pulsed neutrons have been applied to the structural studies of highly disordered materials, and also nanometer size materials. The structural studies using pulsed neutrons are reviewed in this paper from pioneering researches to the latest results in comparison with those by synchrotron radiation x-rays. For the amorphous hydrogen storage material, TbFe 2 D 3.0 , the structure factor and atomic pair distribution function (PDF) by neutron diffraction are compared with those by x-ray diffraction. The local crystal structure of a multiferroic system has been studied by means of PDF analysis on neutron powder diffraction data. PDF analysis is employed in order to determine the precise lattice parameters of nano-structure materials. The three distinctive neutron diffractometers, super high resolution powder diffractometer, high intensity total diffractometer and iMATERIA (IBARAKI materials design diffractometer), under construction at Material and Life Science Facility in J-PARC are introduced. (Y.K.)

  1. Neutron structural biology. Beyond the folding structure

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    2009-01-01

    Hydrogen atoms and water molecules around proteins and nucleic acids play a crucial role in many physiological functions. Neutron diffraction provides an experimental method of directly locating hydrogen atoms. (a) Since almost all the H atom positions can be identified experimentally, the geometrical details of certain types of H-bonds can be visualized and (b) as far as mechanistic implications are concerned, the identification of protonation and deprotonation states of certain important amino acid residues can be carried out. (c) The hydration structure around proteins and the hydration networks around DNA oligomers have been successfully characterized in several outstanding cases. These will open the new field beyond the folding structure of bio-macromolecules such as: 1) Recognition of proteins and nucleic acids through the network structure of water molecules surrounding bio-macromolecules, and 2) The nature of chemical bond in proteins and nucleic acids elucidated by the accumulation of accurate structural information of hydrogen atoms. (author)

  2. Neutron scattering: Revealing the structure of matter

    International Nuclear Information System (INIS)

    Zeyher, A.

    1996-01-01

    Neutrons are being used to explore materials and biological molecules in a growing number of applications, such as advanced steels and other materials, polymer films, complex molecular structures, and magnetic behavior. open-quotes Virtually all we know about the structure of the new high-transition temperature superconductors was determined using neutron scattering,close quotes said Bill Appleton, associate director for advanced materials, physical, and neutron sciences at Oak Ridge National Laboratory, in Oak Ridge, Tennessee. Neutrons are the only way to see what happens inside superconductors because of the neutron's penetrating power and its magnetic moment. Penetrating power means that neutrons can look up to several centimetres below the surface of a material without damaging it; the neutron's magnetic moment means that it is sensitive to the magnetic fields inside a material. Research in high-temperature superconductivity is only one example of the power of neutrons to illuminate, without disturbing, the structure and behavior of matter at the atomic or molecular scale. In many applications, neutron scattering serves as a complement to X-ray diffraction. In others, neutrons are the only nondestructive probe for looking inside materials or processes

  3. Methods in the determination of partial structure factors of disordered matter by neutron and anomalous X-ray diffraction

    International Nuclear Information System (INIS)

    Suck, J.B.; Chieux, P.; Raoux, D.; Riekel, C.

    1993-01-01

    A general introduction into all possible binary correlations (nuclear-nuclear correlations, mass-mass, charge-charge, nuclear-magnetic, nuclear-electronic, etc.), is followed by methods used in connection with neutron diffraction (and also to neutron inelastic scattering) like isotopic substitution, first and second order difference methods, isomorphic substitution and anomalous neutron diffraction. Then the X-ray anomalous scattering methods used specifically in connection with synchrotron radiation are presented. For both radiation methods and results for wide angle and small angle diffraction are included. Applications of both methods to special systems and problems inherent in these combinations are discussed. Methods and results obtained by computer simulations, Reverse Monte Carlo calculations and a new regularization method used in context with an optimization of compatible data obtained with different methods on the same system, are presented. A translation kit is proposed for semantic purposes between the two domains

  4. Structure of neutron-rich nuclei

    International Nuclear Information System (INIS)

    Nazarewicz, W.; Ploszajczak, M.

    2003-01-01

    Structure of exotic radioactive nuclei having extreme neutron-to-proton ratios is different from that around the stability line. This short review discusses the progress in modeling of exotic nuclei in the nuclear ''Terra Incognita''. The consistent theoretical description of weakly bound systems requires a synergy between nuclear structure and nuclear reaction methods. (orig.)

  5. Pillar-structured neutron detector based multiplicity system

    Science.gov (United States)

    Murphy, John W.; Shao, Qinghui; Voss, Lars F.; Kerr, Phil L.; Fabris, Lorenzo; Conway, Adam M.; Nikolic, Rebecca J.

    2018-01-01

    This work demonstrates the potential of silicon pillars filled with boron-10 as a sensor technology for a compact and portable neutron multiplicity system. Solid-state, semiconductor based neutron detectors may enable completely new detector form factors, offer an alternate approach to helium-3 based systems, and reduce detector weight and volume requirements. Thirty-two pillar-structured neutron detectors were assembled into a system with an active area of over 20 cm2 and were used in this work to demonstrate the feasibility of this sensor technology as a potential replacement for helium-3 based gas detectors. Multiplicity measurements were successfully carried out using a californium-252 neutron source, in which the source mass, system efficiency, and die-away time were determined. This demonstration shows that these solid-state detectors could allow for a more compact and portable system that could be used for special nuclear material identification in the field.

  6. Neutrons and magnetic structures: analysis methods and tools

    Science.gov (United States)

    Damay, Françoise

    2015-12-01

    After a short introduction on neutron diffraction and magnetic structures, this review focuses on the new computing tools available in magnetic crystallography nowadays. The appropriate neutron techniques and different steps required to determine a magnetic structure are also introduced.

  7. Structure of neutron-rich nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nazarewicz, W. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics]|[Oak Ridge National Lab., TN (United States). Physics Div.]|[Warsaw Univ. (Poland). Inst. of Theoretical Physics

    1997-11-01

    One of the frontiers of today`s nuclear science is the ``journey to the limits``: of atomic charge and nuclear mass, of neutron-to-proton ratio, and of angular momentum. The new data on exotic nuclei are expected to bring qualitatively new information about the fundamental properties of the nucleonic many-body system, the nature of the nuclear interaction, and nucleonic correlations at various energy-distance scales. In this talk, current developments in nuclear structure of neutron-rich nuclei are discussed from a theoretical perspective.

  8. Structure of neutron-rich nuclei

    International Nuclear Information System (INIS)

    Nazarewicz, W.; Oak Ridge National Lab., TN; Warsaw Univ.

    1997-11-01

    One of the frontiers of today's nuclear science is the ''journey to the limits'': of atomic charge and nuclear mass, of neutron-to-proton ratio, and of angular momentum. The new data on exotic nuclei are expected to bring qualitatively new information about the fundamental properties of the nucleonic many-body system, the nature of the nuclear interaction, and nucleonic correlations at various energy-distance scales. In this talk, current developments in nuclear structure of neutron-rich nuclei are discussed from a theoretical perspective

  9. Neutron diffraction study of the structure of liquid water

    International Nuclear Information System (INIS)

    Ohtomo, Norio; Arakawa, Kiyoshi.

    1978-01-01

    The structure factor for heavy water at 17 0 C up to the Q value of 18 A -1 has been determined by means of the time-of-flight (TOF) diffraction method using pulsed neutrons produced by LINAC. The result has been compared with structure factors calculated on the basis of the various structure models of liquid water; the ''uncorrelated orientation model'' and the ''watery model'' (Page and Powles), the ''near-neighbor model'' (Narten) and the ''revised watery model'' (authors). None of these models has been found to fit the neutron diffraction data satisfactorily over the entire range of Q, though our curve is somewhat improved in comparison with the curves for earlier models. Some discussions about the various structure models of liquid water have been made. (auth.)

  10. Powder Neutron Diffraction and Magnetic structures

    International Nuclear Information System (INIS)

    Vigneron, F.

    1986-01-01

    The determination of the magnetic structures of materials (ferromagnetic, antiferromagnetic, helimagnetic, .) can be achieved only by neutron diffraction. A general survey of the powder technique is given: 2-axis spectrometer and analysis of the magnetic data. For the REBe/sb13/ intermetallic compounds (RE = Rare Earth), commensurate and/or incommensurate magnetic structures are observed and discussed as a function of RE (Gd, Tb, Dy, Ho, Er)

  11. Neutron diffractometers for structural biology at spallation neutron sources

    International Nuclear Information System (INIS)

    Schoenborn, B.P.; Pitcher, E.

    1994-01-01

    Spallation neutron sources are ideal for diffraction studies of proteins and oriented molecular complexes. With spoliation neutrons and their time dependent wavelength structure, it is easy to electronically select data with an optimal wavelength bandwidth and cover the whole Laue spectrum as time (wavelength) resolved snapshots. This optimized data quality with best peak-to-background ratios and provides adequate spatial and energy resolution to eliminate peak overlaps. The application of this concept will use choppers to select the desired Laue wavelength spectrum and employ focusing optics and large cylindrical 3 He detectors to optimize data collection rates. Such a diffractometer will cover a Laue wavelength range from 1 to 5 Angstrom with a flight path length of 10m and an energy resolution of 0.25 Angstrom. Moderator concepts for maximal flux distribution within this energy range will be discussed using calculated flux profiles. Since the energy resolution required for such timed data collection in this super Laue techniques is not very high, the use of a linac only (LAMPF) spoliation target is an exciting possibility with an order of magnitude increase in flux

  12. Static structure factor of liquid parahydrogen

    International Nuclear Information System (INIS)

    Dawidowski, J.; Bermejo, F.J.; Ristig, M.L.; Faak, B.; Cabrillo, C.; Fernandez-Perea, R.; Kinugawa, K.; Campo, J.

    2004-01-01

    The single-differential neutron-scattering cross section of liquid parahydrogen has been measured at 15.2 K and 2 bars of applied pressure by means of low-energy neutron diffraction. Our experimental conditions enable the direct observation of the peak of the liquid structure factor and therefore largely improve the signal-to-noise ratio with respect to measurements carried out using higher-energy neutron diffraction. This avoids the need of performing corrections of approximate nature to the measured cross section that is dominated by molecular rotational components if measured by conventional neutron diffraction

  13. Neutron Protein Crystallography: Beyond the Folding Structure

    International Nuclear Information System (INIS)

    Niimura, N.

    2008-01-01

    Neutron diffraction provides an experimental method of directly locating hydrogen atoms in proteins, a technique complementary to ultra-high-resolution X-ray diffraction. A neutron diffractometers for biological macromolecules has been constructed in Japan, and it has been used to determine the crystal structures of proteins up to resolution limits of 1.5-2.5 A. Results relating to hydrogen positions and hydration patterns in proteins have been obtained from these studies. Examples include the geometrical details of hydrogen bonds, the role of hydrogen atoms in enzymatic activity, CH 3 configuration, H/D exchange in proteins and oligonucleotides, and the dynamical behavior of hydration structures, all of which have been extracted from these structural results and reviewed

  14. Neutron Detector Signal Processing to Calculate the Effective Neutron Multiplication Factor of Subcritical Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Talamo, Alberto [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Gohar, Yousry [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2016-06-01

    This report describes different methodologies to calculate the effective neutron multiplication factor of subcritical assemblies by processing the neutron detector signals using MATLAB scripts. The subcritical assembly can be driven either by a spontaneous fission neutron source (e.g. californium) or by a neutron source generated from the interactions of accelerated particles with target materials. In the latter case, when the particle accelerator operates in a pulsed mode, the signals are typically stored into two files. One file contains the time when neutron reactions occur and the other contains the times when the neutron pulses start. In both files, the time is given by an integer representing the number of time bins since the start of the counting. These signal files are used to construct the neutron count distribution from a single neutron pulse. The built-in functions of MATLAB are used to calculate the effective neutron multiplication factor through the application of the prompt decay fitting or the area method to the neutron count distribution. If the subcritical assembly is driven by a spontaneous fission neutron source, then the effective multiplication factor can be evaluated either using the prompt neutron decay constant obtained from Rossi or Feynman distributions or the Modified Source Multiplication (MSM) method.

  15. The structure of pumice by neutron diffraction

    International Nuclear Information System (INIS)

    Floriano, M.A.; Venezia, A.M.; Deganello, G.; Svensson, E.C.; Root, J.H.

    1994-01-01

    Small-angle neutron scattering (SANS) and wide-angle neutron scattering (WANS) measurements on pumice, an amorphous natural aluminosilicate used as support for metals in the preparation of catalysts, are reported. The SANS spectrum indicates the presence of a broad size distribution of pores and the absence of volume fractality. Surface fractality, however, cannot be ruled out. The structure of pumice, suggested by the pair-correlation function derived from the WANS spectrum and simulated by a random-network structure model, is very similar to that of vitreous silica, consisting mainly of SiO 4- 4 tetrahedra interconnected by bridging O atoms with additional local disorder generated by the replacement, on average, of one in ten Si atoms by aluminium. (orig.)

  16. Neutron electric form factor via recoil polarimetry

    International Nuclear Information System (INIS)

    Richard Madey; Andrei Semenov; Simon Taylor; Aram Aghalaryan; Erick Crouse; Glen MacLachlan; Bradley Plaster; Shigeyuki Tajima; William Tireman; Chenyu Yan; Abdellah Ahmidouch; Brian Anderson; Razmik Asaturyan; O. Baker; Alan Baldwin; Herbert Breuer; Roger Carlini; Michael Christy; Steve Churchwell; Leon Cole; Samuel Danagoulian; Donal Day; Mostafa Elaasar; Rolf Ent; Manouchehr Farkhondeh; Howard Fenker; John Finn; Liping Gan; Kenneth Garrow; Paul Gueye; Calvin Howell; Bitao Hu; Mark Jones; James Kelly; Cynthia Keppel; Mahbubul Khandaker; Wooyoung Kim; Stanley Kowalski; Allison Lung; David Mack; D. Manley; Pete Markowitz; Joseph Mitchell; Hamlet Mkrtchyan; Allena Opper; Charles Perdrisat; Vina Punjabi; Brian Raue; Tilmann Reichelt; Joerg Reinhold; Julie Roche; Yoshinori Sato; Wonick Seo; Neven Simicevic; Gregory Smith; Samuel Stepanyan; Vardan Tadevosyan; Liguang Tang; Paul Ulmer; William Vulcan; John Watson; Steven Wells; Frank Wesselmann; Stephen Wood; Chen Yan; Seunghoon Yang; Lulin Yuan; Wei-Ming Zhang; Hong Guo Zhu; Xiaofeng Zhu

    2003-01-01

    The ratio of the electric to the magnetic form factor of the neutron, G En /G Mn , was measured via recoil polarimetry from the quasielastic d((pol-e),e(prime)(pol-n)p) reaction at three values of Q 2 [viz., 0.45, 1.15 and 1.47 (GeV/c) 2 ] in Hall C of the Thomas Jefferson National Accelerator Facility. Preliminary data indicate that G En follows the Galster parameterization up to Q 2 = 1.15 (GeV/c) 2 and appears to rise above the Galster parameterization at Q 2 = 1.47 (GeV/c) 2

  17. Quasi-crystal structures with neutron diffraction

    International Nuclear Information System (INIS)

    Janot, C.

    1992-01-01

    Long-range order in materials can be aperiodic. This paper reports on quasi-periodic lattices that are mathematically derived from cross sections of objects that are periodically arranged in a higher dimensional space. Experimental investigations of these structures require the specification of more parameters than for classical crystallography. Neutron diffraction, with the special technique of contrast variation, allows a reasonable approach to this problem

  18. Neutron scattering applications in structural biology: now and the future

    Energy Technology Data Exchange (ETDEWEB)

    Trewhella, J. [Los Alamos National Lab., NM (United States)

    1996-05-01

    Neutrons have an important role to play in structural biology. Neutron crystallography, small-angle neutron scattering and inelastic neutron scattering techniques all contribute unique information on biomolecular structures. In particular, solution scattering techniques give critical information on the conformations and dispositions of the components of complex assemblies under a wide variety of relevant conditions. The power of these methods is demonstrated here by studies of protein/DNA complexes, and Ca{sup 2+}-binding proteins complexed with their regulatory targets. In addition, we demonstrate the utility of a new structural approach using neutron resonance scattering. The impact of biological neutron scattering to date has been constrained principally by the available fluxes at neutron sources and the true potential of these approaches will only be realized with the development of new more powerful neutron sources. (author)

  19. Spectral correction factors for conventional neutron dosemeters used in high-energy neutron environments.

    Science.gov (United States)

    Lee, K W; Sheu, R J

    2015-04-01

    High-energy neutrons (>10 MeV) contribute substantially to the dose fraction but result in only a small or negligible response in most conventional moderated-type neutron detectors. Neutron dosemeters used for radiation protection purpose are commonly calibrated with (252)Cf neutron sources and are used in various workplace. A workplace-specific correction factor is suggested. In this study, the effect of the neutron spectrum on the accuracy of dose measurements was investigated. A set of neutron spectra representing various neutron environments was selected to study the dose responses of a series of Bonner spheres, including standard and extended-range spheres. By comparing (252)Cf-calibrated dose responses with reference values based on fluence-to-dose conversion coefficients, this paper presents recommendations for neutron field characterisation and appropriate correction factors for responses of conventional neutron dosemeters used in environments with high-energy neutrons. The correction depends on the estimated percentage of high-energy neutrons in the spectrum or the ratio between the measured responses of two Bonner spheres (the 4P6_8 extended-range sphere versus the 6″ standard sphere). © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  20. Spectral correction factors for conventional neutron dosemeters used in high-energy neutron environments

    International Nuclear Information System (INIS)

    Lee, K.W.; Sheu, R.J.

    2015-01-01

    High-energy neutrons (>10 MeV) contribute substantially to the dose fraction but result in only a small or negligible response in most conventional moderated-type neutron detectors. Neutron dosemeters used for radiation protection purpose are commonly calibrated with 252 Cf neutron sources and are used in various workplace. A workplace-specific correction factor is suggested. In this study, the effect of the neutron spectrum on the accuracy of dose measurements was investigated. A set of neutron spectra representing various neutron environments was selected to study the dose responses of a series of Bonner spheres, including standard and extended-range spheres. By comparing 252 Cf-calibrated dose responses with reference values based on fluence-to-dose conversion coefficients, this paper presents recommendations for neutron field characterisation and appropriate correction factors for responses of conventional neutron dosemeters used in environments with high-energy neutrons. The correction depends on the estimated percentage of high-energy neutrons in the spectrum or the ratio between the measured responses of two Bonner spheres (the 4P6-8 extended-range sphere versus the 6'' standard sphere). (authors)

  1. Procedure for measurement of anisotropy factor for neutron sources

    International Nuclear Information System (INIS)

    Creazolla, Prycylla Gomes

    2017-01-01

    Radioisotope neutron sources allow the production of reference fields for calibration of neutron detectors for radiation protection and analysis purposes. When the emission rate of these sources is isotropic, no correction is necessary. However, variations in source encapsulation and in the radioactive material concentration produce differences in its neutron emission rate, relative to the source axis, this effect is called anisotropy. In this study, is describe a procedure for measuring the anisotropy factor of neutron sources performed in the Laboratório de Metrologia de Neutrons (LN) using a Precision Long Counter (PLC) detector. A measurement procedure that takes into account the anisotropy factor of neutron sources contributes to solve some issues, particularly with respect to the high uncertainties associated with neutron dosimetry. Thus, a bibliographical review was carried out based on international standards and technical regulations specific to the area of neutron fields, and were later reproduced in practice by means of the procedure for measuring the anisotropy factor in neutron sources of the LN. The anisotropy factor is determined as a function of the angle of 90° in relation to the cylindrical axis of the source. This angle is more important due to its high use in measurements and also of its higher neutron emission rate if compared with other angles. (author)

  2. Polarization phenomena in the e-vector d-vector → enp process. Neutron electric form fa>ctor and deuteron structure

    International Nuclear Information System (INIS)

    Rekalo, M.N.; Gakh, G.I.; Rekalo, A.P.

    1987-01-01

    Polarization effects in the e - d→e - np process with longitudinally polarized electrons and vector polarized deuterons have been studied in the relativistic impulse approximation (which takes into account the t-, u-, s-channel pole and contact diagrams). The polarization observables which are most sensitive to the neutron electric form factor G En value have been determined. When calculating both the relativistic Buck-Gross deuteron wave function (DWF) and DWF for the Paris and Reid soft-core potentials are used. In the region of the quasielastic peak (at the nucleon emission angle Θ p =0 deg or 180 deg in c.m.s. of the np-system) the investigated asymmetries are practically independent of the DWF choice. The calculation shows that the asymmetries which are caused by the deuteron spin orientation perpendicular to the momentum transfer are most suitable for the G En determination

  3. Neutron scattering at structural phase transformations

    International Nuclear Information System (INIS)

    Plakida, N.M.

    1982-01-01

    The specific fractures of neutron scattering cross sections on crystal lattices at structural phase transformations are considered in the lecture. The analysis of the elastic and inelastic scattering is carried out at different transformations (ordering type, displacement type incommensurable transformations). The experimental study on some transitions are given as an example, namely, transformation at the Brillouin zone edge in cubic perovskite. RbCaF 3 transformation in a quasiunidimensional ferroelectrics CsH 2 PO 4 and CsD 2 PO 4 , phase transformation into an incommensurable phase in diphenyl

  4. X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction

    International Nuclear Information System (INIS)

    Blum, Marc-Michael; Tomanicek, Stephen J.; John, Harald; Hanson, B. Leif; Rüterjans, Heinz; Schoenborn, Benno P.; Langan, Paul; Chen, Julian C.-H.

    2010-01-01

    The crystal structure of perdeuterated diisopropyl fluorophosphatase is reported and compared with the hydrogenated structure. Diffraction guidelines for neutron crystallography experiments are summarized. The signal-to-noise ratio is one of the limiting factors in neutron macromolecular crystallography. Protein perdeuteration, which replaces all H atoms with deuterium, is a method of improving the signal-to-noise ratio of neutron crystallography experiments by reducing the incoherent scattering of the hydrogen isotope. Detailed analyses of perdeuterated and hydrogenated structures are necessary in order to evaluate the utility of perdeuterated crystals for neutron diffraction studies. The room-temperature X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase) is reported at 2.1 Å resolution. Comparison with an independently refined hydrogenated room-temperature structure of DFPase revealed no major systematic differences, although the crystals of perdeuterated DFPase did not diffract neutrons. The lack of diffraction is examined with respect to data-collection and crystallographic parameters. The diffraction characteristics of successful neutron structure determinations are presented as a guideline for future neutron diffraction studies of macromolecules. X-ray diffraction to beyond 2.0 Å resolution appears to be a strong predictor of successful neutron structures

  5. Procedures for measurement of anisotropy factor of neutron sources

    International Nuclear Information System (INIS)

    Creazolla, P.G.; Camargo, A.; Astuto, A.; Silva, F.; Pereira, W.W.

    2017-01-01

    Radioisotope sources of neutrons allow the production of reference fields for calibration of neutron measurement devices for radioprotection and analysis purposes. When the emission rate of these sources is isotropic, no correction is necessary. However, variations in the source capsule material and variations in the concentration of the emitting material may produce differences in its neutron emission rate relative to the source axis, this effect is called anisotropy. A proposed procedure for measuring the anisotropy factor of the sources belonging to the IRD/LNMRI/LN Neutron Metrology Laboratory using a Precision Long Counter (PLC) detector will be presented

  6. Local magnetic structure determination using polarized neutron holography

    Science.gov (United States)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-05-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems.

  7. Local magnetic structure determination using polarized neutron holography

    International Nuclear Information System (INIS)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-01-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems

  8. ISINN-2. Neutron spectroscopy, nuclear structure and related topics

    International Nuclear Information System (INIS)

    1994-01-01

    The proceedings contain the materials presented at the Second International Seminar on Neutron-Nucleus Interactions (ISINN-2) dealing with the problems of neutron spectroscopy, nuclear structure and related topics. The Seminar took place in Dubna on April 26-28, 1994. Over 120 scientists from Belgium, Bulgaria, Czech Republic, Germany, Holland, Italy, Japan, Latvia, Mexico, Poland, Slovakia, Slovenia, Ukraine, US and about 10 Russian research institutes took part in the Seminar. The main problems discussed are the following: P-odd and P-even angular correlation and T-reversal invariance in neutron reactions, nuclear structure investigations by neutron capture, the mechanism of neutron reactions, nuclear fission processes, as well as neutron data for nuclear astrophysics

  9. Monte Carlo calculations of the neutron coincidence gate utilisation factor for passive neutron coincidence counting

    CERN Document Server

    Bourva, L C A

    1999-01-01

    The general purpose neutron-photon-electron Monte Carlo N-Particle code, MCNP sup T sup M , has been used to simulate the neutronic characteristics of the on-site laboratory passive neutron coincidence counter to be installed, under Euratom Safeguards Directorate supervision, at the Sellafield reprocessing plant in Cumbria, UK. This detector is part of a series of nondestructive assay instruments to be installed for the accurate determination of the plutonium content of nuclear materials. The present work focuses on one aspect of this task, namely, the accurate calculation of the coincidence gate utilisation factor. This parameter is an important term in the interpretative model used to analyse the passive neutron coincidence count data acquired using pulse train deconvolution electronics based on the shift register technique. It accounts for the limited proportion of neutrons detected within the time interval for which the electronics gate is open. The Monte Carlo code MCF, presented in this work, represents...

  10. The neutron electric form factor to Q² = 1.45 (GeV/c)²

    Energy Technology Data Exchange (ETDEWEB)

    Plaster, Bradley [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2004-02-01

    The nucleon elastic electromagnetic form factors are fundamental quantities needed for an understanding of nucleon and nuclear electromagnetic structure. The evolution of the Sachs electric and magnetic form factors with Q2, the square of the four-momentum transfer, is related to the distribution of charge and magnetization within the nucleon. High precision measurements of the nucleon form factors are essential for stringent tests of our current theoretical understanding of confinement within the nucleon. Measurements of the neutron form factors, in particular, those of the neutron electric form factor, have been notoriously difficult due to the lack of a free neutron target and the vanishing integral charge of the neutron. Indeed, a precise measurement of the neutron electric form factor has eluded experimentalists for decades; however, with the advent of high duty-factor polarized electron beam facilities, experiments employing polarization degrees of freedom have finally yielded the first precise measurements of this fundamental quantity. Following a general overview of the experimental and theoretical status of the nucleon form factors, a detailed description of an experiment designed to extract the neutron electric form factor from measurements of the neutron's recoil polarization in quasielastic 2H(e, e')1H scattering is presented. The experiment described here employed the Thomas Jefferson National Accelerator Facility's longitudinally polarized electron beam, a magnetic spectrometer for detection of the scattered electron, and a neutron polarimeter designed specifically for this experiment. Measurements were conducted at three Q2 values of 0.45, 1.13, and 1.45 (GeV/c)2, and the final results extracted from an analysis of the data acquired in this experiment are reported and compared with recent theoretical predictions for the nucleon form factors.

  11. Neutron diffraction studies of thin film multilayer structures

    Energy Technology Data Exchange (ETDEWEB)

    Majkrzak, C.F.

    1985-01-01

    The application of neutron diffraction methods to the study of the microscopic chemical and magnetic structures of thin film multilayers is reviewed. Multilayer diffraction phenomena are described in general and in particular for the case in which one of the materials of a bilayer is ferromagnetic and the neutron beam polarized. Recent neutron diffraction measurements performed on some interesting multilayer systems are discussed. 70 refs., 5 figs.

  12. Neutron diffraction studies of thin film multilayer structures

    International Nuclear Information System (INIS)

    Majkrzak, C.F.

    1985-01-01

    The application of neutron diffraction methods to the study of the microscopic chemical and magnetic structures of thin film multilayers is reviewed. Multilayer diffraction phenomena are described in general and in particular for the case in which one of the materials of a bilayer is ferromagnetic and the neutron beam polarized. Recent neutron diffraction measurements performed on some interesting multilayer systems are discussed. 70 refs., 5 figs

  13. Neutron Crystallography for Macromolecular Structure Analysis

    Science.gov (United States)

    Kuroki, Ryota

    Hydrogen atoms in proteins as well as protein-bound water molecules play a significant role in many chemical reaction processes in living systems, such as catalytic reaction and molecular recognition. Neutron crystallography is a powerful tool to identify locations of light atoms like hydrogen. In the field of neutron crystallography, the development of diffractometers and techniques for preparation and crystallization of target samples has been developed to complement the low flux of neutron sources. In Japan, single-crystal diffractometers named BIX-3 and BIX-4 have been developed, and contribute to the effective collection of neutron diffraction data. Recent developments on the complementary use of neutron and X-ray diffraction data have begun solving previously undetermined problems of protein function. Further efforts to acquire higher measurement performance are now in progress to increase the application of neutron crystallographic studies.

  14. The microscopic structure of liquid mercury from neutron and x-ray diffraction

    International Nuclear Information System (INIS)

    Bafile, U.

    1999-01-01

    Complete text of publication follows. New neutron and X-ray diffraction investigations of the microscopic structure of liquid mercury were recently carried out. The direct comparison of the structure factors S(Q) measured with the two techniques showing a very good agreement, is reported here. It is also shown that, by exploiting the very good stability of the D20 neutron diffractometer at ILL, Grenoble, the very small density effects due to pressurization of mercury up to 2 kbar can be detected to obtain the first neutron measurement of the isothermal density derivative of S(Q), which is a very sensitive probe of the interaction law in liquid systems. (author)

  15. Safety factors for neutron fluences in NPP safety assessment

    International Nuclear Information System (INIS)

    Demekhin, V.L.; Bukanov, V.N.; Il'kovich, V.V.; Pugach, A.M.

    2016-01-01

    In accordance with global practice and a number of existing regulations, the use of conservative approach is required for the calculations related to nuclear safety assessment of NPP. It implies the need to consider the determination of neutron fluence errors that is rather complicated. It is proposed to carry out the consideration by the way of multiplying the neutron fluences obtained with transport calculations by safety factors. The safety factor values are calculated by the developed technique based on the theory of errors, features of the neutron transport calculation code and the results obtained with the code. It is shown that the safety factor value is equal 1.18 with the confidence level of not less than 0.95 for the majority of VVER-1000 reactor places where neutron fluences are determined by MCPV code, and its maximum value is 1.25

  16. AHTR Mechanical, Structural, and Neutronic Preconceptual Design

    Energy Technology Data Exchange (ETDEWEB)

    Varma, V.K.; Holcomb, D.E.; Peretz, F.J.; Bradley, E.C.; Ilas, D.; Qualls, A.L.; Zaharia, N.M.

    2012-09-15

    This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming an option for commercial reactor deployment. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The reactor concept development remains at a preconceptual level of maturity. While the overall appearance of an AHTR design is anticipated to be similar to the current concept, optimized dimensions will differ from those presented here. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month two-batch cycle with 9 wt. % enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The report includes a preconceptual design of the manipulators, the fuel transfer system, and the used fuel storage system. The present design intent is for used fuel to be stored inside of containment for at least six months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design

  17. AHTR Mechanical, Structural, And Neutronic Preconceptual Design

    Energy Technology Data Exchange (ETDEWEB)

    Varma, Venugopal Koikal [ORNL; Holcomb, David Eugene [ORNL; Peretz, Fred J [ORNL; Bradley, Eric Craig [ORNL; Ilas, Dan [ORNL; Qualls, A L [ORNL; Zaharia, Nathaniel M [ORNL

    2012-10-01

    This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming a commercial reactor class. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month 2-batch cycle with 9 weight-percent enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The present design intent is for used fuel to be stored inside of containment for at least 6 months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design concept incorporates multiple levels of radioactive material containment including fully passive responses to all identified design basis or non-very-low frequency beyond design basis accidents. Key building design elements include: 1) below grade siting to minimize vulnerability to aircraft impact, 2) multiple natural circulation decay heat rejection chimneys, 3) seismic

  18. X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.

    Science.gov (United States)

    Blum, Marc Michael; Tomanicek, Stephen J; John, Harald; Hanson, B Leif; Rüterjans, Heinz; Schoenborn, Benno P; Langan, Paul; Chen, Julian C H

    2010-04-01

    The signal-to-noise ratio is one of the limiting factors in neutron macromolecular crystallography. Protein perdeuteration, which replaces all H atoms with deuterium, is a method of improving the signal-to-noise ratio of neutron crystallography experiments by reducing the incoherent scattering of the hydrogen isotope. Detailed analyses of perdeuterated and hydrogenated structures are necessary in order to evaluate the utility of perdeuterated crystals for neutron diffraction studies. The room-temperature X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase) is reported at 2.1 A resolution. Comparison with an independently refined hydrogenated room-temperature structure of DFPase revealed no major systematic differences, although the crystals of perdeuterated DFPase did not diffract neutrons. The lack of diffraction is examined with respect to data-collection and crystallographic parameters. The diffraction characteristics of successful neutron structure determinations are presented as a guideline for future neutron diffraction studies of macromolecules. X-ray diffraction to beyond 2.0 A resolution appears to be a strong predictor of successful neutron structures.

  19. X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction

    Science.gov (United States)

    Blum, Marc-Michael; Tomanicek, Stephen J.; John, Harald; Hanson, B. Leif; Rüterjans, Heinz; Schoenborn, Benno P.; Langan, Paul; Chen, Julian C.-H.

    2010-01-01

    The signal-to-noise ratio is one of the limiting factors in neutron macromolecular crystallography. Protein perdeuteration, which replaces all H atoms with deuterium, is a method of improving the signal-to-noise ratio of neutron crystallography experiments by reducing the incoherent scattering of the hydrogen isotope. Detailed analyses of perdeuterated and hydrogenated structures are necessary in order to evaluate the utility of perdeuterated crystals for neutron diffraction studies. The room-temperature X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase) is reported at 2.1 Å resolution. Comparison with an independently refined hydrogenated room-temperature structure of DFPase revealed no major systematic differences, although the crystals of perdeuterated DFPase did not diffract neutrons. The lack of diffraction is examined with respect to data-collection and crystallo­graphic parameters. The diffraction characteristics of successful neutron structure determinations are presented as a guideline for future neutron diffraction studies of macromolecules. X-ray diffraction to beyond 2.0 Å resolution appears to be a strong predictor of successful neutron structures. PMID:20383004

  20. Neutron diffraction, structural inorganic chemistry and high-temperature superconductors

    International Nuclear Information System (INIS)

    Hewat, A.W.

    1992-01-01

    This paper discusses neutron diffraction which has been of fundamental importance for the determination of the structure of high-temperature superconductors and for understanding the influence of structure on the critical temperature. This is because the new superconductors are heavy metal oxides; X-rays are mainly scattered by the metal atoms, but thermal neutrons are scattered as strongly by oxygen, which is the atom of most interest in these materials. In fact, for the past 20 yr, neutron diffraction has been steadily gaining ground as an important technique in structural inorganic chemistry

  1. Thermal neutron self-shielding correction factors for large sample instrumental neutron activation analysis using the MCNP code

    International Nuclear Information System (INIS)

    Tzika, F.; Stamatelatos, I.E.

    2004-01-01

    Thermal neutron self-shielding within large samples was studied using the Monte Carlo neutron transport code MCNP. The code enabled a three-dimensional modeling of the actual source and geometry configuration including reactor core, graphite pile and sample. Neutron flux self-shielding correction factors derived for a set of materials of interest for large sample neutron activation analysis are presented and evaluated. Simulations were experimentally verified by measurements performed using activation foils. The results of this study can be applied in order to determine neutron self-shielding factors of unknown samples from the thermal neutron fluxes measured at the surface of the sample

  2. Neutron stars structure in the context of massive gravity

    International Nuclear Information System (INIS)

    Hendi, S.H.; Bordbar, G.H.; Panah, B. Eslam; Panahiyan, S.

    2017-01-01

    Motivated by the recent interests in spin−2 massive gravitons, we study the structure of neutron star in the context of massive gravity. The modifications of TOV equation in the presence of massive gravity are explored in 4 and higher dimensions. Next, by considering the modern equation of state for the neutron star matter (which is extracted by the lowest order constrained variational (LOCV) method with the AV18 potential), different physical properties of the neutron star (such as Le Chatelier's principle, stability and energy conditions) are investigated. It is shown that consideration of the massive gravity has specific contributions into the structure of neutron star and introduces new prescriptions for the massive astrophysical objects. The mass-radius relation is examined and the effects of massive gravity on the Schwarzschild radius, average density, compactness, gravitational redshift and dynamical stability are studied. Finally, a relation between mass and radius of neutron star versus the Planck mass is extracted.

  3. Neutron stars structure in the context of massive gravity

    Science.gov (United States)

    Hendi, S. H.; Bordbar, G. H.; Eslam Panah, B.; Panahiyan, S.

    2017-07-01

    Motivated by the recent interests in spin-2 massive gravitons, we study the structure of neutron star in the context of massive gravity. The modifications of TOV equation in the presence of massive gravity are explored in 4 and higher dimensions. Next, by considering the modern equation of state for the neutron star matter (which is extracted by the lowest order constrained variational (LOCV) method with the AV18 potential), different physical properties of the neutron star (such as Le Chatelier's principle, stability and energy conditions) are investigated. It is shown that consideration of the massive gravity has specific contributions into the structure of neutron star and introduces new prescriptions for the massive astrophysical objects. The mass-radius relation is examined and the effects of massive gravity on the Schwarzschild radius, average density, compactness, gravitational redshift and dynamical stability are studied. Finally, a relation between mass and radius of neutron star versus the Planck mass is extracted.

  4. Activation measurements for thermal neutrons. Part J. Evaluation of thermal neutron transmission factors

    International Nuclear Information System (INIS)

    Egbert, Stephen D.

    2005-01-01

    In order to relate thermal neutron activation measurements in samples to the calculated free-in-air thermal neutron activation levels given in Chapter 3, use is made of sample transmission factors. Transmission factors account for the modification of the fluence and activation at each sample's in situ location. For the purposes of this discussion, the transmission factor (TF) is defined as the ratio of the in situ sample activation divided by the free-in-air (FIA) activation at a height of 1 m above ground at the same ground range. The procedures for calculation of TF's and example results are presented in this section. (author)

  5. Activation measurements for fast neutrons. Part E. Evaluation of fast neutron 63Ni transmission factors

    International Nuclear Information System (INIS)

    Egbert, Stephen D.

    2005-01-01

    The 63 Ni measurements for fast neutrons in copper samples are compared to the calculated free-in-air 63 Ni neutron activation given in Chapter 3 by use of transmission factors. Transmission factors were calculated to account for the modification of the fluence and activation at each sample's in situ location. For the purposes of this discussion, the transmission factor (TF) is defined as the ratio of the in situ sample activation divided by the untilted free-in-air (FIA) activation at a height of 1 m above ground at the same ground range. Examples of the application of TF's will be provided in this section. (author)

  6. Structure determination of drug target proteins by neutron crystallography

    International Nuclear Information System (INIS)

    Tamada, Taro; Adachi, Motoyasu

    2010-01-01

    High resolution X-ray crystallography provides information for most of the atoms comprising the proteins, with the exception of hydrogen atoms. Whereas, neutron crystallography, which is a powerful technique for locating hydrogen atoms, enables us to obtain accurate atomic positions within proteins. Neutron diffraction data can provide information of the location of hydrogen atoms to the structural information determined by X-ray crystallography. Here, we show the recent results of the structural determination of drug-target proteins, porcine pancreatic elastase and human immuno-deficiency virus type-1 protease by both X-ray and neutron diffraction. The structure of porcine pancreatic elastase with its potent inhibitor was determined to 0.094 nm resolution by X-ray diffraction and 0.165 nm resolution by neutron diffraction. The structure of HIV-PR with its potent inhibitor was also determined to 0.093 nm resolution by X-ray diffraction and 0.19 nm resolution by neutron diffraction. The ionization state and the location of hydrogen atoms of the catalytic residue in these enzymes were determined by neutron diffraction. Furthermore, collaborative use of both X-ray and neutron crystallography to identify the location of ambiguous hydrogen atoms will be shown. (author)

  7. Neutron diffraction studies of chemical structure and interaction

    International Nuclear Information System (INIS)

    Lehmann, M.S.

    1985-01-01

    The analysis of chemical structure, using neutron crystallography, is reviewed. First the various aspects of neutron diffraction are discussed and special advantages are outlined. Then various themes within the study of three-dimensional crystalline material are treated. The most traditional of these, the location of light atoms in structures, is shown to remain important, and likewise high-precision work still gives much new information. Within the last decade powder analysis has become a tool in chemical analysis. This is partly due to developments in monochromator technology, computer applications and large area detectors. For very similar reasons studies of materials in real time and under extreme conditions are becoming frequent. We therefore observe both a continuing use of traditional neutron crystallographic techniques, and a growth of new methods and areas which depend on instrumental developments. With the advent of new sources and larger detector systems, further advances can thus be expected in the application of neutrons in structural chemistry. (author)

  8. Neutron diffraction analysis of materials featuring the perovskite structure

    International Nuclear Information System (INIS)

    Vratislav, S.

    1993-01-01

    The author's achievements in the title field are summarized and discussed. The dissertation is divided into 2 basic sections: state of the art in neutron diffraction of perovskite structure materials (the perovskite structure and its modifications, characterization of high-temperature superconductor structures, perovskites with magnetic ions, neutron diffraction in materials science), and experimental results concerning the structure of high-temperature superconductors (the Y-Ba-Cu-O system and the Bi-Sr-Ca-Cu-O system) and magnetic structures (the Pr-Ca-Mn-O system and the Pr-Sr-Mn-O system). Reprints of the author's relevant publications are included. (P.A.)

  9. Atomic structure holography using thermal neutrons

    International Nuclear Information System (INIS)

    Sur, B.; Rogge, R.B.; Hammond, R.P.; Anghel, V.N.P.; Katsaras, J.

    2001-01-01

    The idea of atomic-resolution holography has its roots in the X-ray work of Bragg and in Gabor's electron interference microscope. Gabor's lensless microscope was not realized in his time, but over the past twelve years there has been a steady increase in the number of reports on atomic-resolution holography. All of this work involves the use of electrons or hard X-rays to produce the hologram. Neutrons are often unique among scattering probes in their interaction with materials: for example, the relative visibility of hydrogen and its isotopes is a great advantage in the study of polymers and biologically relevant materials. Recent work proposed that atomic-resolution holography could be achieved with thermal neutrons. Here we use monochromatic thermal neutrons, adopting the inside-source concept of Szoke, to image planes of oxygen atoms located above and below a single hydrogen atom in the oxide mineral Simpsonite. (author)

  10. In situ structural studies with neutron diffraction

    International Nuclear Information System (INIS)

    Laversenne, L.; Hansen, T.C.

    2015-01-01

    The authors present the features of neutron diffraction in terms of necessary neutron sources, diffusion contrast, penetration and magnetism. In situ diffraction experiments consist in recording the diffraction signal of a sample when this sample undergoes a monitored change in one of the following parameters: temperature (thermo-diffraction), pressure, magnetic or electric field or gaseous atmosphere. Most in situ diffraction experiments are performed on powders and they required a more or less complex equipment according to the parameter that varies. Examples and results of in situ neutron diffraction experiments are detailed in the article: -) the electrochemical loading of electrodes, -) the absorption of hydrogen for energy storage, -) the study of materials under high pressure which has allowed the investigation of phase diagrams when the inter-atomic distance varies, and -) the study of magnetism through thermo-diffraction. (A.C.)

  11. NEUTRON SCATTERING INSTRUMENTATION FOR MEASUREMENT OF MELT STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Richard Weber, Christopher Benmore

    2004-10-21

    acquisition software was developed and implemented. As part of a larger initiative at IPNS, PC-based programs are being developed for acquisition and processing of neutron data. The PC-based beamline data handling system will enable compatibility with the levitator software. The instrument was bench tested at CRI and operated in three campaigns at the GLAD beamline at IPNS. Samples approximately 3.5 mm in diameter were levitated for periods up to 6 hours and at temperatures up to 3300 K. Structure factors were obtained for liquid oxide materials and hot solids. Details are given in this report and in published or submitted papers. During the course of the Phase I and Phase II projects, technical presentations were made at the Materials Research Society meeting in Boston, November, 2001, the American Conference on Neutron Scattering in Knoxville, TN, June, 2002, the Gordon Research Conference on High Temperature Chemistry (poster) in Waterville, ME, August 2002, the ACNS meeting in Baltimore, MD, June, 2004 and the Non-crystalline Materials-9 meeting in Corning NY, July, 2004. Two manuscripts were prepared, one is published, one is in review. The presentations have resulted in contact with the user community and we have received several requests to use the instrument. As a result, we are seeking support for collaborative research and plan to offer beamline instruments for commercial sale.

  12. Gamma discrimination in pillar structured thermal neutron detectors

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Q; Radev, R P; Conway, A M; Voss, L F; Wang, T F; Nikolic, R J; Deo, N; Cheung, C L

    2012-03-26

    Solid-state thermal neutron detectors are desired to replace {sup 3}He tube based technology for the detection of special nuclear materials. {sup 3}He tubes have some issues with stability, sensitivity to microphonics and very recently, a shortage of {sup 3}He. There are numerous solid-state approaches being investigated that utilize various architectures and material combinations. By using the combination of high-aspect-ratio silicon PIN pillars, which are 2 {micro}m wide with a 2 {micro}m separation, arranged in a square matrix, and surrounded by {sup 10}B, the neutron converter material, a high efficiency thermal neutron detector is possible. Besides intrinsic neutron detection efficiency, neutron to gamma discrimination is an important figure of merit for unambiguous signal identification. In this work, theoretical calculations and experimental measurements are conducted to determine the effect of structure design of pillar structured thermal neutron detectors including: intrinsic layer thickness, pillar height, substrate doping and incident gamma energy on neutron to gamma discrimination.

  13. Structure of amorphous selenium studied by neutron diffraction

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Knudsen, Torben Steen; Carneiro, K.

    1975-01-01

    treatment, the neutron scattering cross sections of selenium are determined to be sigmacoh = 8.4±0.1 b and sigmainc = 0.1±0.1 b. Using the fact that S (kappa) for large kappa's is determined by the short distances in the sample, a new method for extrapolation of the experimental S (kappa) until convergence......Neutron diffraction measurements on amorphous selenium have been performed at 293 and 80 K. Careful analyses of the instrumental corrections were made to avoid systematic errors in the measured structure factor S (kappa) in the wave vector region 0 ? kappa ? 12 Å−1. As a result of the data...... is proposed. This allows an accurate determination of g (r) showing peaks at distances that agree well with the previous x−ray experiment by Kaplow et al. for distances up to 11 Å. However, only partial agreement is obtained when finer details of g (r), e.g., the width of the first peak, are considered...

  14. Micro structural evaluation technique of steel using neutron beam

    International Nuclear Information System (INIS)

    Nakamichi, Haruo; Sato, Kaoru; Sueyoshi, Hitoshi

    2016-01-01

    Structural analysis using Neutrons is a very unique technique for its strong penetration ability through steels. Numerous evaluation techniques are available at present, and JFE Steel has been adapting the technique through participating in research activities such as in the Iron and Steel Institute of Japan. This paper introduces some results including precipitation evaluation using a small angle scattering, residual strain estimation through diffractions, and in-situ transformation observation by time-of-flight methods of neutron beams diffraction. (author)

  15. Nuclear structure studies via neutron interactions

    International Nuclear Information System (INIS)

    Carlton, R.F.

    1990-03-01

    Research performed consisted of: refinement of previous analysis of high resolution total cross sections for n + 40 Ar in an effort to remove some ambiguities in J π assignments and completion of two papers dealing with this analysis and a comparison theoretical treatment of the associated scattering functions and R-functions; extension of the analysis of neutron total cross section data on 48 Ca to 3.5 MeV in neutron energy and modeling of the results with a dispersive optical model based on parameters from 40 Ca scattering data; attempted improvement of spin and parity assignments for data on 122 Sn and determination of external R-function parameters; development of a graphical interface, coupled with a code for calculation of R-matrix based total cross sections and parameter minimization, for an MS-DOS-based microcomputer. 11 refs., 13 figs

  16. Monte Carlo calculations of the neutron coincidence gate utilisation factor for passive neutron coincidence counting

    International Nuclear Information System (INIS)

    Bourva, L.C.A.; Croft, S.

    1999-01-01

    The general purpose neutron-photon-electron Monte Carlo N-Particle code, MCNP TM , has been used to simulate the neutronic characteristics of the on-site laboratory passive neutron coincidence counter to be installed, under Euratom Safeguards Directorate supervision, at the Sellafield reprocessing plant in Cumbria, UK. This detector is part of a series of nondestructive assay instruments to be installed for the accurate determination of the plutonium content of nuclear materials. The present work focuses on one aspect of this task, namely, the accurate calculation of the coincidence gate utilisation factor. This parameter is an important term in the interpretative model used to analyse the passive neutron coincidence count data acquired using pulse train deconvolution electronics based on the shift register technique. It accounts for the limited proportion of neutrons detected within the time interval for which the electronics gate is open. The Monte Carlo code MCF, presented in this work, represents a new evaluation technique for the estimation of gate utilisation factors. It uses the die-away profile of a neutron coincidence chamber generated either by MCNP TM , or by other means, to simulate the neutron detection arrival time pattern originating from independent spontaneous fission events. A shift register simulation algorithm, embedded in the MCF code, then calculates the coincidence counts scored within the electronics gate. The gate utilisation factor is then deduced by dividing the coincidence counts obtained with that obtained in the same Monte Carlo run, but for an ideal detection system with a coincidence gate utilisation factor equal to unity. The MCF code has been benchmarked against analytical results calculated for both single and double exponential die-away profiles. These results are presented along with the development of the closed form algebraic expressions for the two cases. Results of this validity check showed very good agreement. On this

  17. Structural observation of amorphous alloys by neutron diffraction

    International Nuclear Information System (INIS)

    Fukunaga, Toshiharu; Itoh, Keiji

    2006-01-01

    Neutron diffraction is a powerful tool to elucidate the atomic arrangement of amorphous alloys because of characteristic scattering lengths of constituent elements. For hydrogen absorption amorphous alloys H/D isotopic substitution was employed to observe the location of deuterium atoms because the neutron coherent scattering length of deuterium is large enough to observe in comparison with those of the constituent atoms. Moreover, Reverse Monte Carlo (RMC) modeling has been recognized to be an excellent method for visualizing the three-dimensional atomic arrangement of amorphous alloys, based on the results of neutron and X-ray diffraction experiments. Therefore, the combination of neutron, X-ray diffraction experiments and the RMC modeling was used to clarify the topological characteristics of the structure of amorphous alloys. (author)

  18. Structure of light neutron-rich nuclei through Coulomb dissociation

    Indian Academy of Sciences (India)

    The physics of exotic nuclei has attracted much interest during the past decade. The prop- erties of nuclei with large neutron excess have turned out to be very different compared to those of stable nuclei in many respects. One outstanding observation in exotic nuclei is the halo structure. The halo structure arises from the ...

  19. Refinement procedures of hydrogen and hydration structures of proteins by neutron diffraction technique

    International Nuclear Information System (INIS)

    Chatake, Toshiyuki; Morimoto, Yukio

    2007-01-01

    Neutrons have a unique role to play in determining the structure and dynamics of proteins and their complexes. Water molecules surrounding a protein play important roles in maintaining its structural stability. However, the hydration structures of most proteins are not known well at an atomic level because x-ray protein crystallography has difficulties to localize the position of hydrogen atoms, while neutron crystallography has not problem in determining the position of hydrogen atoms with high accuracy. A software suite, called Crystallography and NMR System (CNS), has been developed for macromolecular structure determinations by x-ray crystallography or solution nuclear magnetic resonance spectroscopy by A.T. Brunger et al. The software CNS is highly flexible, and is applied for neutron diffraction measurements after some modifications of parameters used in the software. The fundamental modifications are the followings; D atoms in replace of H atoms, and the substitution of neutron scattering lengths for x-ray scattering factors. Moreover, in neutron diffraction data analysis, an important problem rests on the introduction of hydrogen atoms into the software of x-ray crystallography without hydrogen atoms. After the above procedures, the software modified is applied to determine the molecular structure of histidine residue associated with hydrogen atoms. (author)

  20. Characterization of Crystallographic Structures Using Bragg-Edge Neutron Imaging at the Spallation Neutron Source

    Directory of Open Access Journals (Sweden)

    Gian Song

    2017-12-01

    Full Text Available Over the past decade, wavelength-dependent neutron radiography, also known as Bragg-edge imaging, has been employed as a non-destructive bulk characterization method due to its sensitivity to coherent elastic neutron scattering that is associated with crystalline structures. Several analysis approaches have been developed to quantitatively determine crystalline orientation, lattice strain, and phase distribution. In this study, we report a systematic investigation of the crystal structures of metallic materials (such as selected textureless powder samples and additively manufactured (AM Inconel 718 samples, using Bragg-edge imaging at the Oak Ridge National Laboratory (ORNL Spallation Neutron Source (SNS. Firstly, we have implemented a phenomenological Gaussian-based fitting in a Python-based computer called iBeatles. Secondly, we have developed a model-based approach to analyze Bragg-edge transmission spectra, which allows quantitative determination of the crystallographic attributes. Moreover, neutron diffraction measurements were carried out to validate the Bragg-edge analytical methods. These results demonstrate that the microstructural complexity (in this case, texture plays a key role in determining the crystallographic parameters (lattice constant or interplanar spacing, which implies that the Bragg-edge image analysis methods must be carefully selected based on the material structures.

  1. Neutron scattering studies of nanomagnetism and artificially structured materials

    International Nuclear Information System (INIS)

    Fitzsimmons, M.R.; Bader, S.D.; Borchers, J.A.; Felcher, G.P.; Furdyna, J.K.; Hoffmann, A.; Kortright, J.B.; Schuller, Ivan K.; Schulthess, T.C.; Sinha, S.K.; Toney, M.F.; Weller, D.; Wolf, S.

    2004-01-01

    Nanostructured magnetic materials are intensively investigated due to their unusual properties and promise for possible applications. The key issue for these materials is to understand the limits between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structures allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of magnetic structure at the microscopic level. Neutron scattering is a well-developed technique that can determine magnetic structure at the atomic length scale in samples of ever diminishing size. This has opened up the use of neutron scattering to nanostructured materials prepared by thin film and lithographic techniques. Many interesting and unexpected results have emerged from the application of elastic neutron scattering to nanostructured magnetic thin films such as superlattices and multilayers. These include, distinguishing between magnetic and chemical boundaries, observing the spatial dependence of the magnetization vector in nonuniform materials, unusual coupling mechanisms across nonmagnetic materials, unexpected magnetic phase diagrams, etc. Extension of elastic neutron scattering to nanostructured arrays and three-dimensional magnetic composites will allow future determination of magnetic structure with unprecedented resolution. In this review, we discuss the impact of neutron scattering to the study of magnetic nanostructures, i.e., magnetic materials that are artificially structured at nanometer length scales, such as magnetic thin films, multilayers and nanodot arrays. The basic interactions and different length scales relevant to these systems as well as the basic issues and phenomena of interest are briefly

  2. Neutron scattering studies of nanomagnetism and artificially structured materials

    Science.gov (United States)

    Fitzsimmons, M. R.; Bader, S. D.; Borchers, J. A.; Felcher, G. P.; Furdyna, J. K.; Hoffmann, A.; Kortright, J. B.; Schuller, Ivan K.; Schulthess, T. C.; Sinha, S. K.; Toney, M. F.; Weller, D.; Wolf, S.

    2004-04-01

    Nanostructured magnetic materials are intensively investigated due to their unusual properties and promise for possible applications. The key issue for these materials is to understand the limits between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structures allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of magnetic structure at the microscopic level. Neutron scattering is a well-developed technique that can determine magnetic structure at the atomic length scale in samples of ever diminishing size. This has opened up the use of neutron scattering to nanostructured materials prepared by thin film and lithographic techniques. Many interesting and unexpected results have emerged from the application of elastic neutron scattering to nanostructured magnetic thin films such as superlattices and multilayers. These include, distinguishing between magnetic and chemical boundaries, observing the spatial dependence of the magnetization vector in nonuniform materials, unusual coupling mechanisms across nonmagnetic materials, unexpected magnetic phase diagrams, etc. Extension of elastic neutron scattering to nanostructured arrays and three-dimensional magnetic composites will allow future determination of magnetic structure with unprecedented resolution. In this review, we discuss the impact of neutron scattering to the study of magnetic nanostructures, i.e., magnetic materials that are artificially structured at nanometer length scales, such as magnetic thin films, multilayers and nanodot arrays. The basic interactions and different length scales relevant to these systems as well as the basic issues and phenomena of interest are briefly

  3. Neutron and X-ray diffraction from modulated structures

    International Nuclear Information System (INIS)

    Harris, P.

    1994-07-01

    This thesis describes X-ray and neutron scattering experiments performed on two examples of modulated structures. After an introduction to the subject of modulated structures, the thesis is divided in three parts. A single crystal elastic neutron scattering experiment between 4.2 and 115 Κ has been performed and four-circle X-ray data have been collected at 8 Κ for the monoclinic low-temperature phase of the layered perovskite PAMC. The results from the neutron scattering experiment indicate that magnetoelastic effects influence the ordering of the crystal. The X-ray experiments have made it possible to determine the crystal structure in the low-temperature phase. The superspace group is P2 1 /b(β-30)Os, with β = 1/3. A small-angle neutron scattering experiment has been performed on the magnetic structure of manganese silicide. When a magnetic field is applied, the modulation vectors turn towards the field direction, showing domain growth and diverging peak widths as they approach the field direction. Phase 'A' is established to have the modulation vectors directed perpendicular to the field direction. Cooling in zero field shows increasing peak widths at low temperatures, indicating a lock-in transition below the lowest reached temperature. To be able to analyse the data of the magnetic order in MnSi, and analytical calculation of the three dimensional resolution function for a small-angle neutron scattering spectrometer has been performed. The calculation is done by application of a combination of phase space analysis and Gaussian approximations for the neutron distribution as well as for the transmission functions of the different apertures. A finite mosaic spread of the crystal and finite correlation widths of the Bragg reflections have been included in the cross section. (au) (3 tabs., 48 ills., 100 refs.)

  4. The structure of liquid semiconductors, superionic conductors and glasses by neutron scattering, X-ray diffraction and extended X-ray absorption fine structure

    International Nuclear Information System (INIS)

    Buchanan, P.

    2001-09-01

    A study of the applicability of modern X-ray and neutron scattering techniques to the study of the structure of liquid semiconductors and glasses has been made. The results demonstrate how neutron scattering with isotopic substitution (NDIS), anomalous X-ray scattering and Extended X-ray Absorption Fine Structure (EXAFS) can be successfully used to elucidate the structure of materials that cannot be studied by NDIS alone. The local coordination structure of Ag 2 Se in its room temperature, superionic and liquid phases has been determined using the EXAFS technique. This EXAFS data have been combined with previously available neutron diffraction data to provide a refinement of the structure obtained through neutron diffraction alone. The structure of GeO 2 has been determined to the full partial structure factor level using a combination of anomalous X-ray scattering and neutron diffraction measurements. The data are in good agreement with previously obtained results. The partial structure factors of P 40 Se 60 and P 50 Se 50 have been determined to the first order difference level using the anomalous X-ray diffraction technique. The structure of liquid Ga 2 Te 3 has been determined to the partial structure factor level using combined neutron diffraction with isotopic substitution (NDIS) and anomalous X-ray diffraction. The structure of liquid FeSe 2 has been determined to the first order difference level using the NDIS technique alone. The structure of liquid FeTe 2 was determined at the total structure factor level using neutron diffraction in order to estimate the effect of chalcogenide ion size on the structure. The results demonstrate the feasibility of the additional structural determination techniques for disordered materials made possible through the development of third generation X-ray synchrotron sources. (author)

  5. Structure of light neutron-rich nuclei through Coulomb dissociation

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 57; Issue 2-3. Structure of light neutron-rich nuclei through Coulomb dissociation. U Datta Pramanik T Aumann D Cortina H Emling H Geissel M Hellström R Holzmann N Iwasa Y Leifels G Münzenberg M Rejmund C Scheidenberger K Sümmerer A Leistenschneider ...

  6. High-spin structure of neutron-rich Dy isotopes

    Indian Academy of Sciences (India)

    Abstract. In view of recent experimental progress on production and spectroscopy of neutron-rich isotopes of Dy with mass number A. 166 and 168, we have made theoretical investigations on the structure of high spin states of164 170Dy isotopes in the cranked Hartree–Fock–Bogoliubov (CHFB) theory employing a ...

  7. A study of environmental polluting factors by neutron activation method

    International Nuclear Information System (INIS)

    Paunoiu, C.; Doca, C.

    2004-01-01

    The paper presents: a) some importance factors of the environmental pollution; b) the theoretical aspects of the Neutron Activation Analysis (NAA) used in the study of the environmental pollution; c) the NAA specific hardware and software facilities existing at the Institute for Nuclear Research; d) a direct application of the NAA method in the study of the environmental pollution for Pitesti city by the analysis of some ground and vegetation samples; e) results and conclusions. (authors)

  8. Fundamentals and applications of neutron diffraction. Applications 5. Crystal structure analysis of high-Tc oxide superconductors by neutron diffraction

    International Nuclear Information System (INIS)

    Mochiku, Takashi

    2010-01-01

    Crystal structure analysis with neutron diffraction is necessary for the study of high-T c oxide superconductors, which oxygen atoms play an important role in. The crystal structure of a lot of superconductors has been analyzed by neutron powder diffraction. On the basis of the neutron powder diffraction study, the guiding principle of material design in high-T c oxide superconductors has been constructed, and contributes the discovery of new materials. The crystallographic data obtained by the neutron powder diffraction study is also the fundamentals to the study for the exotic physical properties in high-T c oxide superconductors. (author)

  9. Structural Investigations using a position sensitive Neutron Detector

    International Nuclear Information System (INIS)

    Fruchart, D.; Anne, M.; Wolfers, P.; Lartigue, C.; Roudaut, E.

    1986-01-01

    In the accurate determination of the location of lights atoms such as hydrogen in a metal matrix, several types of difficulty may be encountered. Experimentally, neutron diffraction is the most convenient method for such a structure determination. The use of Position Sensitive Detectors is discussed, and selected examples illustrate the advantages and drawbacks of this type of instrument. Judging from present results, significant improvements in recording technique, data collection and reduction, and structure refinement may be obtained in the near future

  10. NET European Network on Neutron Techniques Standardization for Structural Integrity

    International Nuclear Information System (INIS)

    Youtsos, A.

    2004-01-01

    Improved performance and safety of European energy production systems is essential for providing safe, clean and inexpensive electricity to the citizens of the enlarged EU. The state of the art in assessing internal stresses, micro-structure and defects in welded nuclear components -as well as their evolution due to complex thermo-mechanical loads and irradiation exposure -needs to be improved before relevant structural integrity assessment code requirements can safely become less conservative. This is valid for both experimental characterization techniques and predictive numerical algorithms. In the course of the last two decades neutron methods have proven to be excellent means for providing valuable information required in structural integrity assessment of advanced engineering applications. However, the European industry is hampered from broadly using neutron research due to lack of harmonised and standardized testing methods. 35 European major industrial and research/academic organizations have joined forces, under JRC coordination, to launch the NET European Network on Neutron Techniques Standardization for Structural Integrity in May 2002. The NET collaborative research initiative aims at further development and harmonisation of neutron scattering methods, in support of structural integrity assessment. This is pursued through a number of testing round robin campaigns on neutron diffraction and small angle neutron scattering - SANS and supported by data provided by other more conventional destructive and non-destructive methods, such as X-ray diffraction and deep and surface hole drilling. NET also strives to develop more reliable and harmonized simulation procedures for the prediction of residual stress and damage in steel welded power plant components. This is pursued through a number of computational round robin campaigns based on advanced FEM techniques, and on reliable data obtained by such novel and harmonized experimental methods. The final goal of

  11. Determination of vibration amplitudes and neutron-mechanical scale factors in the PWR nuclear power plant

    International Nuclear Information System (INIS)

    Kostic, Lj.; Heidemann, P.; Runkel, J.

    1997-01-01

    Displacements of vibrating reactor components which can not be measured by other means during normal reactor operation can be determined through the scale factors from the neutron spectra of signals measured by the standard in-core neutron instrumentation. Neutron-mechanical scale factors are determined for the vibrations of fuel assemblies and reactor pressure vessel/core barrel system using the signals of in-core neutron detectors and accelerometers. (author)

  12. Structural study of oxide superconductors by neutron diffraction

    International Nuclear Information System (INIS)

    Asano, H.

    1991-01-01

    A nonstoichiometric structure of Nd 1+x Ba 2-x Cu 3 O 7-z has been refined by Rietveld analysis of neutron powder diffraction data. A Ba site is substituted partially by Nd atoms, which causes a decrease of hole carriers on a CuO 2 plane and lowers T c . T c recovers again with increasing content of oxygen introduced by high-pressure oxygen annealing. A modulated structure in Bi 2 (Sr, Ca) 3 Cu 2 O 8+z has been clarified by simultaneous Rietveld refinement of neutron and X-ray powder diffraction data. It is shown that the modulated structure is resulted from excess oxygen atoms incorporated in a Bi-O layer. (author). 6 refs.; 7 figs.; 1 tab

  13. Neutron structure of the hydrophobic plant protein crambin

    International Nuclear Information System (INIS)

    Teeter, M.M.; Kossiakoff, A.A.

    1982-01-01

    Crystals of the small hydrophobic protein crambin have been shown to diffract to a resolution of at least 0.88 A. This means that crambin presents a rare opportunity to study a protein structure at virtually atomic resolution. The high resolution of the diffraction pattern coupled with the assets of neutron diffraction present the distinct possibility that crambin's analysis may surpass that of any other protein system in degree and accuracy of detail. The neutron crambin structure is currently being refined at 1.50 A (44.9% of the data to 1.2 A has also been included). It is expected that a nominal resolution of 1.0 A can be achieved. 15 references, 6 figures, 2 tables

  14. Structural changes in tetracyanoethylene at high pressures: neutron diffraction study

    International Nuclear Information System (INIS)

    Mukhopadhyay, R.; Chaplot, S.L.

    2002-01-01

    We report on structural changes in monoclinic tetracyanoethylene, C 2 (CN) 4 as studied by in situ high-pressure (0-5 GPa) neutron powder diffraction experiments. Structural parameters were obtained by Rietveld profile refinement of the diffraction pattern up to P=2.5 GPa. Above this pressure the width parameter is found to diverge, indicating pressure-induced disordering at 2.5 GPa. The recovered sample, on release of pressure from 5 GPa, is found to have transformed to a graphite-like amorphous structure. The transformation to a graphite-like material has been verified by an independent high-pressure x-ray diffraction experiment. (author)

  15. Neutron time-like electromagnetic form factor measurement with direct scan method at BESIII

    Energy Technology Data Exchange (ETDEWEB)

    Larin, Paul; Ahmed, Samer Ali Nasher; Lin, Dexu; Rosner, Christoph; Wang, Yadi [Helmholtz-Institut Mainz (Germany); Institut fuer Kernphysik, Johannes Gutenberg-Universitaet Mainz (Germany); Dbeyssi, Alaa; Morales, Cristina [Helmholtz-Institut Mainz (Germany); Maas, Frank [Helmholtz-Institut Mainz (Germany); Institut fuer Kernphysik, Johannes Gutenberg-Universitaet Mainz (Germany); PRISMA Cluster of Excellence, Johannes Gutenberg-Universitaet Mainz (Germany); Collaboration: BESIII-Collaboration

    2016-07-01

    The internal structure and dynamics of the neutron can be understood through the study of its electromagnetic (EM) form factors (FF). In comparison to proton FF measurements, less data on the neutron is available in the space-like as well as in the time-like region. None of the previous experiments were able to measure the ratio of the electric and the magnetic FF in the time-like region so far. The BESIII (Beijing Spectrometer III) experiment at BEPCII (Beijing Electron Positron Collider II) collected in 2014/15 a large sample of e{sup +}e{sup -} scan data in the region between 2.0 and 3.08 GeV with a total luminosity of 523.5 pb{sup -1}. With this poster we show our efforts to measure the effective FF of the neutron in a large energy region and the possibility to measure for the first time the ratio of the neutron form factors in the time-like region.

  16. The potential for biological structure determination with pulsed neutrons

    International Nuclear Information System (INIS)

    Wilson, C.C.

    1994-01-01

    The potential of pulsed neutron diffraction in structural determination of biological materials is discussed. The problems and potential solutions in this area are outlined, with reference to both current and future sources and instrumentation. The importance of developing instrumentation on pulsed sources in emphasized, with reference to the likelihood of future expansion in this area. The possibilities and limitations of single crystal, fiber and powder diffraction in this area are assessed

  17. Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase)

    International Nuclear Information System (INIS)

    Chen, Julian C.-H.; Mustyakimov, Marat; Schoenborn, Benno P.; Langan, Paul; Blum, Marc-Michael

    2010-01-01

    The structure and mechanism of diisopropyl fluorophosphatase (DFPase) have been studied using a variety of methods, including isotopic labelling, X-ray crystallography and neutron crystallography. The neutron structure of DFPase, mechanistic studies and subsequent rational design efforts are described. Diisopropyl fluorophosphatase (DFPase) is a calcium-dependent phosphotriesterase that acts on a variety of highly toxic organophosphorus compounds that act as inhibitors of acetylcholinesterase. The mechanism of DFPase has been probed using a variety of methods, including isotopic labelling, which demonstrated the presence of a phosphoenzyme intermediate in the reaction mechanism. In order to further elucidate the mechanism of DFPase and to ascertain the protonation states of the residues and solvent molecules in the active site, the neutron structure of DFPase was solved at 2.2 Å resolution. The proposed nucleophile Asp229 is deprotonated, while the active-site solvent molecule W33 was identified as water and not hydroxide. These data support a mechanism involving direct nucleophilic attack by Asp229 on the substrate and rule out a mechanism involving metal-assisted water activation. These data also allowed for the re-engineering of DFPase through rational design to bind and productively orient the more toxic S P stereoisomers of the nerve agents sarin and cyclosarin, creating a modified enzyme with enhanced overall activity and significantly increased detoxification properties

  18. Portable neutron moisture gage for the moisture determination of structure parts

    International Nuclear Information System (INIS)

    Harnisch, M.

    1985-01-01

    For determining the moisture of structure parts during building or before repairing a portable neutron moisture gage consisting of a neutron probe and pulse analyzer has been developed. The measuring process, calibration, and prerequisites of application are briefly discussed

  19. Neutron scattering for the analysis of biological structures. Brookhaven symposia in biology. Number 27

    Energy Technology Data Exchange (ETDEWEB)

    Schoenborn, B P [ed.

    1976-01-01

    Sessions were included on neutron scattering and biological structure analysis, protein crystallography, neutron scattering from oriented systems, solution scattering, preparation of deuterated specimens, inelastic scattering, data analysis, experimental techniques, and instrumentation. Separate entries were made for the individual papers.

  20. Calculation of the power factor using the neutron diffusion hybrid equation

    International Nuclear Information System (INIS)

    Costa da Silva, Adilson; Carvalho da Silva, Fernando; Senra Martinez, Aquilino

    2013-01-01

    Highlights: ► A neutron diffusion hybrid equation with an external neutron source was used. ► Nodal expansion method to obtain the neutron flux was used. ► Nuclear power factors in each fuel element in the reactor core were calculated. ► The results obtained were very accurate. -- Abstract: In this paper, we used a neutron diffusion hybrid equation with an external neutron source to calculate nuclear power factors in each fuel element in the reactor core. We used the nodal expansion method to obtain the neutron flux for a given control rods bank position. The results were compared with results obtained for eigenvalue problem near criticality condition and fixed source problem during the start-up of the reactor, where external neutron sources are extremely important for the stabilization of external neutron detectors.

  1. Determination of structural water by neutron protein crystallography: an analysis of the carbon monoxide myoglobin water structure

    International Nuclear Information System (INIS)

    Schoenborn, B.P.; Hanson, J.C.

    1979-01-01

    An ideal technique for studying the water structure of proteins using neutron crystallography is discussed. The advantages of using deuterons (D 2 O) instead of hydrogen (H 2 O) are explained. The results of an early unrefined met myoglobin neutron analysis are presented. More recent high resolution x-ray analysis of met myoglobin and refined neutron analysis of carbon monoxide myoglobin water structure were compared. Neutron maps were included

  2. Neutron scattering on magnetic nano-structures

    International Nuclear Information System (INIS)

    Ott, F.

    2009-03-01

    The thesis describes measurements of the scrape-off layer (SOL) ion temperature T i with a retarding field analyzer (RFA) in the limiter tokamak Tore Supra. In the first chapter, some well known facts about nuclear fusion, limiter SOL, Langmuir probes, etc. are briefly recalled. Various diagnostics for SOL T i measurements developed in the past are addressed as well. The second chapter is dedicated to the RFA. The principle of the RFA, technical details and operation of the Tore Supra RFA, and the influence of instrumental effects on RFA measurements are addressed. In the third chapter, the experimental results are presented in the form of papers published (or submitted for publication) during the thesis. Some research that was not completed at the time of writing is summarized in the last chapter. Considerable emphasis is placed on study of the instrumental effects of RFAs and their influence on T i measurements. In general, the influence of instrumental effects on T i measurements is found to be relatively small. Selective ion transmission through the RFA slit is found to be responsible for an overestimation of T i by less than 14% even for relatively thick slit plates. The effect of positive space charge inside the analyzer, the influence of the electron repelling grid, the misalignment of the probe head with respect to the magnetic field, and the attenuation of the incident ion current by some of the probe components on T i measurements is negligible. The instrumental study is followed by systematic measurements of T i (as well as other parameters) in the Tore Supra SOL. This includes the scaling of SOL temperatures and electron density with the main plasma parameters (such as the plasma density, toroidal magnetic field, working gas, and the radiated power fraction). Except at very high densities or in detached plasmas, SOL T i is found to be higher than T e by up to a factor of 7. While SOL T i is found to vary by almost two orders of magnitude, following the

  3. Structural Characterization of Iron Meteorites through Neutron Tomography

    Directory of Open Access Journals (Sweden)

    Stefano Caporali

    2016-02-01

    Full Text Available In this communication, we demonstrate the use of neutron tomography for the structural characterization of iron meteorites. These materials prevalently consist of metallic iron with variable nickel content. Their study and classification is traditionally based on chemical and structural analysis. The latter requires cutting, polishing and chemical etching of large slabs of the sample in order to determine the average width of the largest kamacite lamellae. Although this approach is useful to infer the genetical history of these meteorites, it is not applicable to small or precious samples. On the base of different attenuation coefficient of cold neutrons for nickel and iron, neutron tomography allows the reconstruction of the Ni-rich (taenite and Ni-poor (kamacite metallic phases. Therefore, the measure of the average width of the largest kamacite lamellae could be determined in a non-destructive way. Furthermore, the size, shape, and spatial correlation between kamacite and taenite crystals were obtained more efficiently and accurately than via metallographic investigation.

  4. Intermediate structure in the 238U neutron capture cross section

    International Nuclear Information System (INIS)

    Perez, R.B.; de Saussure, G.

    1975-01-01

    Recent measurements of the 238 U neutron capture cross section show large fluctuations in the unresolved resonance region. To test whether or not the observed long-range fluctuation of the neutron capture represent departures from the compound nuclear model, the Wald-Wolfowitz runs and correlation tests were applied to the 238 U neutron capture data obtained at ORELA. The Wald-Wolfowitz runs test deals with the statistic, R, which is the number of unbroken sequences of data points above or below a given reference line. This statistic is to be compared with the expected value of runs E(R) +- sigma(R) arising from randomly distributed data. In the correlation test we have computed the first serial correlation coefficient of the data as well as its expected value and variance for a set of random data. In both tests one computes the probability, P, for the given statistical entity to depart from its expected value by more than epsilon standard deviations. Both tests confirm the presence of intermediate structure between 5 and 100 keV. The range of the structure far exceeds the width of the experimental resolution and level widths. 3 tables, 2 figures

  5. Neutron diffraction structure investigations for expanded liquid selenium up to 14000C and 300 bar

    International Nuclear Information System (INIS)

    Edeling, M.

    1980-01-01

    The static structure factor of the expanded liquid Selenium is measured by means of the neutron diffraction for temperatures between 600 0 C and 1400 0 C and for pressures up to 300 bar. From the structure factors the pair distribution functions show that the bond length of the Selenium atoms is constant 2.37 A to 2.38 A for the whole concentration range. For temperatures above 1200 0 C the calculated intermolecular coordination number shows that the intermolecular interaction increases. (BHO)

  6. Structural Analysis and Seismic Design for Cold Neutron Laboratory Building

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Sangik; Kim, Y. K.; Kim, H. R

    2007-05-15

    This report describes all the major results of the dynamic structural analysis and seismic design for the Cold Neutron Laboratory Building which is classified in seismic class II. The results are summarized of the ground response spectrum as seismic input loads, mechanical properties of subsoil, the buoyancy stability due to ground water, the maximum displacement of the main frame under the seismic load and the member design. This report will be used as a basic design report to maintenance its structural integrity in future.

  7. Structural Analysis and Seismic Design for Cold Neutron Laboratory Building

    International Nuclear Information System (INIS)

    Wu, Sangik; Kim, Y. K.; Kim, H. R.

    2007-05-01

    This report describes all the major results of the dynamic structural analysis and seismic design for the Cold Neutron Laboratory Building which is classified in seismic class II. The results are summarized of the ground response spectrum as seismic input loads, mechanical properties of subsoil, the buoyancy stability due to ground water, the maximum displacement of the main frame under the seismic load and the member design. This report will be used as a basic design report to maintenance its structural integrity in future

  8. On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

    Science.gov (United States)

    Gruner, S.; Marczinke, J.; Hennet, L.; Hoyer, W.; Cuello, G. J.

    2009-09-01

    The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

  9. Ab initio simulations and neutron scattering studies of structure and dynamics in PdH

    International Nuclear Information System (INIS)

    Totolici, I.E.

    2001-07-01

    The work presented in this PhD thesis is concerned with the interpretation of the neutron scattering measurements from the palladium hydrogen system by means of ab initio electronic structure calculations. The motivation of performing such calculations was due to recent neutron scattering studies on this system that showed a strong directional dependence to the dynamical structure factor together with a complex dependence on energy. Here we attempt to describe the origin of these features by ab initio simulations of the dynamical structure factor. The method assumes an adiabatic separation of the motion of the proton and palladium atoms. The proton wave functions are calculated by a direct solution of the associated single-particle Schroedinger equation using a plane wave basis set method and a mapping of the adiabatic surface. The Fourier components of the adiabatic potential are obtained from LDA pseudopotential calculations. Using Fermi's golden rule within the Born approximation we were then able to calculate the dynamical structure factor, S(Q,ω), for exciting the proton from its ground state to various excited states as a function of the magnitude and direction of the scattering wave vector. The results are in agreement with the inelastic neutron scattering spectra and allow us to identify the origin of previous inexplicable features, in particular the strong directional dependence to the experimental data. The method was extended to investigate the expansion of the equilibrium lattice constant as a function of the H isotope when the zero-point energy of the proton/deuterium is explicitly taken into account in the relaxation process. The results we obtained predicted a bigger lattice constant for the hydride, as expected. Furthermore, other complex ab initio calculations were carried out in order to describe the origin of the large optic dispersion, seen previously in the coherent neutron scattering data. Our calculated dispersion proved to be in good

  10. Neutrons probing the structure and dynamics of liquids; Les neutrons sondent la structure et la dynamique des liquides

    Energy Technology Data Exchange (ETDEWEB)

    Leclercq-Hugeux, F. [LASIR/HEI, UMR 8516 CNRS, 59 - Lille (France); Coulet, M.V. [Universite Paul-Cezanne, Lab. TECSEN - UMR 6122 CNRS, 13 - Marseille (France); Gaspard, J.P. [Liege Univ. (Belgium); Pouget, St. [CEA Grenoble, Dept. de Recherche Fondamentale sur la Matiere Condensee, Service General des rayons X (DRFMC/SP2M), 38 (France); Zanotti, J.M. [CEA Saclay, Lab. Leon Brillouin, CNRS, 91 - Gif-sur-Yvette (France)

    2007-09-15

    This article illustrates the benefits of neutron techniques to the understanding of the liquid state. As opposed to the nearly complete order of crystals or the nearly complete disorder of gas, the disorder of a liquid is partial and results from dynamical events acting on a broad range of space and time scales. Consequently, no single, simple parameter can encompass the concept of order or disorder in the liquid state. The wide variety of neutron techniques (diffraction, quasi-elastic and inelastic scattering) is a key asset to solve the issue. Selected studies ranging over typical interactions and conditions relevant to liquids (metallic, covalent, molecular, liquids near a phase transition and confined fluids) are presented. In each case, both structural and dynamical aspects, along with the connections to complementary techniques (computer simulation, X-ray absorption and/or scattering) are highlighted. (authors)

  11. Effects of fast neutrons on chromatin: dependence on chromatin structure

    Energy Technology Data Exchange (ETDEWEB)

    Radu, L. [Dept. of Molecular Genetics, V. Babes National Inst., Bd. Timisoara, Bucharest (Romania); Constantinescu, B. [Dept. of Cyclotron, H. Hulubei National Inst., Bucharest (Romania); Gazdaru, D. [Dept. of Biophysics, Physics Faculty, Univ. of Bucharest (Romania)

    2002-07-01

    The effects of fast neutrons (10-100 Gy) on chromatin extracted from normal (liver of Wistar rats) and tumor (Walker carcinosarcoma maintained on Wistar rats) tissues were compared. The spectroscopic assays used were (i) chromatin intrinsic fluorescence, (ii) time-resolved fluorescence of chromatin-proflavine complexes, and (iii) fluorescence resonance energy transfer (FRET) between dansyl chloride and acridine orange coupled to chromatin. For both normal and tumor chromatin, the intensity of intrinsic fluorescence specific for acidic and basic proteins decreased with increasing dose. The relative contributions of the excited-state lifetime of proflavine bound to chromatin were reduced upon fast-neutron irradiation, indicating a decrease in the proportion of chromatin DNA available for ligand binding. The Forster energy transfer efficiencies were also modified by irradiation. These effects were larger for chromatin from tumor tissue. In the range 0-100 Gy, fast neutrons induced alterations in DNA and acidic and basic proteins, as well as in global chromatin structure. The radiosensitivity of chromatin extracted from tumor tissue seems to be higher than that of chromatin extracted from normal tissue, probably because of its higher euchromatin (loose)-heterochromatin (compact) ratio. (author)

  12. Structural properties and neutron irradiation effects of ceramics

    International Nuclear Information System (INIS)

    Yano, Toyohiko

    1994-01-01

    In high temperature gas-cooled reactors and nuclear fusion reactors being developed at present, various ceramics are to be used in the environment of neutron irradiation for undertaking important functions. The change of the characteristics of those materials by neutron irradiation must be exactly forecast, but it has been known that the response of the materials is different respectively. The production method of ceramics and the resulted structures of ceramics which control their characteristics are explained. The features of covalent bond and ionic bond, the synthesis of powder and the phase change by heating, sintering and sintering agent, and grain boundary phase are described. The smelling of ceramics by neutron irradiation is caused by the formation of the clusters of Frenkel defects and minute spot defects. Its restoration by annealing is explained. The defects remaining in materials after irradiation are the physical defects by flipping atoms cut due to the collision with high energy particles and the chemical defects by nuclear transformation. Some physical defects can be restored, but chemical defects are never restored. The mechanical properties of ceramics and the effect of irradiation on them, and the thermal properties of ceramics and the effect of irradiation on them are reported. (K.I.)

  13. Development of beryllium-based neutron target system with three-layer structure for accelerator-based neutron source for boron neutron capture therapy.

    Science.gov (United States)

    Kumada, Hiroaki; Kurihara, Toshikazu; Yoshioka, Masakazu; Kobayashi, Hitoshi; Matsumoto, Hiroshi; Sugano, Tomei; Sakurai, Hideyuki; Sakae, Takeji; Matsumura, Akira

    2015-12-01

    The iBNCT project team with University of Tsukuba is developing an accelerator-based neutron source. Regarding neutron target material, our project has applied beryllium. To deal with large heat load and blistering of the target system, we developed a three-layer structure for the target system that includes a blistering mitigation material between the beryllium used as the neutron generator and the copper heat sink. The three materials were bonded through diffusion bonding using a hot isostatic pressing method. Based on several verifications, our project chose palladium as the intermediate layer. A prototype of the neutron target system was produced. We will verify that sufficient neutrons for BNCT treatment are generated by the device in the near future. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Assessment of NJOY generated neutron heating factors based on JEF/EFF-1

    International Nuclear Information System (INIS)

    Vontobel, P.

    1990-01-01

    Using the NJOY nuclear data processing system, a coupled neutron-photon multigroup MATXS-formatted nuclear data library was generated based on the files JEF/EFF-1. The neutron heating factors contained in this VITAMIN-J structured library are compared with those of MACLIB-IV. The main differences are due to the included decay heat of shortlived reaction products in MACKLIB-IV and/or due to too high/low photon production data of some JEF/EFF-1 isotopes. It is recommended to check carefully the energy balance of new evaluations containing photon production data. How this can be done with the help of the NJOY HEATR module is shown in an example. (author) 35 figs., 9 refs

  15. NXDC-neutron and x-ray diffraction code for crystal structures calculations

    International Nuclear Information System (INIS)

    Abbas, Y.; El-Sherif, A.

    1982-01-01

    A computer program NXDC for the calculations of neutron diffraction and x-ray diffraction intensities is reported. The program is very flexible and allows the intensity of a reflection with a given Miller indices to be calculated if the unit cell and its contents are specified together with the equipement used Neutrons or X-rays-and if necessary introducing temperature and absorption factors corrections. For the refinement of crystal structures provision is made for the comparison of the calculated intensities and the intergrated intensities observed from the diffraction diagrams using the least-squares analysis to obtain the reliability factor R. The program is written in FORTRAN Iv and is very suitable for minicomputers

  16. Ultra-small angle neutron scattering on structured materials

    International Nuclear Information System (INIS)

    Hainbuchner, M.

    2000-12-01

    In this work investigations of the inner macroscopic structure of various materials using the ultra small angle neutron scattering (USANS) technique are presented. First, the silicon double crystal and pinhole instruments used for the experiments are described. Then the basics of small angle neutron scattering theory are discussed. The treatment of the experimental scattering measurement data and the fitting of theoretical scattering models are thoroughly discussed, in particular the specific effects of the double crystal instrument geometry are considered. The used numerical procedures of the automatic data treatment and model fitting are presented. The quality and the reliability of these procedures and of the ultra small angle scattering experiments, performed on the neutron optical bench instrument S18 at the high flux reactor of the Institute Laue-Langevin, are illustrated by various measurements. The ultra small angle scattering measurements connect seamlessly or overlap with conventional pinhole measurements. For the determination the inner structure of the investigated materials a combination of ultra small and small angle scattering patterns can be used, which cover more than three orders of magnitude in momentum transfer and ten orders of magnitude in macroscopic differential scattering cross section. The specimens were carefully selected in order to represent a wide range of different materials. Artificial periodic silicon gratings were examined in order to prove high order interference effects. Measuring this kind of samples the performance of an USANS instrument can simply be determined. This allows the comparison of different instruments. For the calibration of the instrument and testing of the data treatment routines suspensions of latex spheres of various diameters were examined. In order to demonstrate that the evaluation of samples showing strong multiple scattering can produce meaningful results, measurements on sintered alumina using various

  17. Nano-structured Fabry–Pérot resonators in neutron optics and tunneling of neutron wave-particles

    International Nuclear Information System (INIS)

    Maaza, M.; Hamidi, D.

    2012-01-01

    Correlated to the quantum mechanics wave-particle duality, the optical analogy between electromagnetic waves and cold neutrons manifests itself through several interference phenomena particularly the so called Frustrated Total Reflection i.e., the tunneling process in Fabry–Pérot nano-structured cavities. Prominent resonant situations offered by this configuration allow the attainment of numerous fundamental investigations and surface-interface studies as well as to devise new kinds of neutron optics devices. This review contribution reports such possibilities in addition to the recently observed peculiar Goos–Hänchen longitudinal shift of neutron wave-particles which was predicted by Sir Isaac Newton as early as 1730.

  18. Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Castanon, J.; Bomboi, F. [Sapienza–Università di Roma, P.le A. Moro 5, 00185 Roma (Italy); Rovigatti, L. [Rudolf Peierls C.T.P., University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna (Austria); Zanatta, M. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); CNR-ISC, UOS Sapienza–Università di Roma, I-00186 Roma (Italy); Paciaroni, A. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); Comez, L. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); IOM-CNR, UOS Perugia c/o Dipartimento di Fisica e Geologia, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); Porcar, L. [Institut Laue-Langevin, 71 Avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9 (France); Jafta, C. J. [Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Fadda, G. C. [Laboratoire Léon Brillouin, LLB, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France); Bellini, T. [Department of Medical Biotechnology and Translational Medicine, Università di Milano, I-20133 Milano (Italy); Sciortino, F., E-mail: francesco.sciortino@uniroma1.it [Sapienza–Università di Roma, P.le A. Moro 5, 00185 Roma (Italy); CNR-ISC, UOS Sapienza–Università di Roma, I-00186 Roma (Italy)

    2016-08-28

    DNA oligomers with properly designed sequences self-assemble into well defined constructs. Here, we exploit this methodology to produce bulk quantities of tetravalent DNA nanostars (each one composed of 196 nucleotides) and to explore the structural signatures of their aggregation process. We report small-angle neutron scattering experiments focused on the evaluation of both the form factor and the temperature evolution of the scattered intensity at a nanostar concentration where the system forms a tetravalent equilibrium gel. We also perform molecular dynamics simulations of one isolated tetramer to evaluate the form factor numerically, without resorting to any approximate shape. The numerical form factor is found to be in very good agreement with the experimental one. Simulations predict an essentially temperature-independent form factor, offering the possibility to extract the effective structure factor and its evolution during the equilibrium gelation.

  19. A Tailorable Structural Composite for GCR and Albedo Neutron Protection on the Lunar Surface, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A tailorable structural composite that will provide protection from the lunar radiation environment, including GCR and albedo neutrons will be developed. This...

  20. Precise study of vortex structures in Nb by small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Miyata, Seiki; Osamura, Kozo [Department of Materials Science and Engineering, Kyoto Univ., Kyoto (Japan); Suzuki, Jun-ichi [Advanced Science Reserch Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan)

    2001-07-01

    The microscopic magnetic structure of a vortex in a Nb single crystal was investigated using small-angle neutron scattering by measuring higher order reflections. By fitting the experimental scattering intensities, the magnetic structure of a vortex can be represented by the London equation with an additional Gaussian factor due to the thermal displacement of vortices. The radius of a vortex (20.3 nm at 3.3 K) is somewhat smaller than the London penetration depth ({lambda}{sub L}(0) = 31.5-39.0 nm). (author)

  1. Single-neutron knockout from 20C and the structure of 19C

    Science.gov (United States)

    Hwang, J. W.; Kim, S.; Satou, Y.; Orr, N. A.; Kondo, Y.; Nakamura, T.; Gibelin, J.; Achouri, N. L.; Aumann, T.; Baba, H.; Delaunay, F.; Doornenbal, P.; Fukuda, N.; Inabe, N.; Isobe, T.; Kameda, D.; Kanno, D.; Kobayashi, N.; Kobayashi, T.; Kubo, T.; Leblond, S.; Lee, J.; Marqués, F. M.; Minakata, R.; Motobayashi, T.; Murai, D.; Murakami, T.; Muto, K.; Nakashima, T.; Nakatsuka, N.; Navin, A.; Nishi, S.; Ogoshi, S.; Otsu, H.; Sato, H.; Shimizu, Y.; Suzuki, H.; Takahashi, K.; Takeda, H.; Takeuchi, S.; Tanaka, R.; Togano, Y.; Tuff, A. G.; Vandebrouck, M.; Yoneda, K.

    2017-06-01

    The low-lying unbound level structure of the halo nucleus 19C has been investigated using single-neutron knockout from 20C on a carbon target at 280 MeV/nucleon. The invariant mass spectrum, derived from the momenta of the forward going beam velocity 18C fragment and neutrons, was found to be dominated by a very narrow near threshold (Erel = 0.036 (1) MeV) peak. Two less strongly populated resonance-like features were also observed at Erel = 0.84 (4) and 2.31 (3) MeV, both of which exhibit characteristics consistent with neutron p-shell hole states. Comparisons of the energies, measured cross sections and parallel momentum distributions to the results of shell-model and eikonal reaction calculations lead to spin-parity assignments of 5 /21+ and 1 /21- for the levels at Ex = 0.62 (9) and 2.89 (10) MeV with Sn = 0.58 (9) MeV. Spectroscopic factors were also deduced and found to be in reasonable accord with shell-model calculations. The valence neutron configuration of the 20C ground state is thus seen to include, in addition to the known 1s1/22 component, a significant 0d5/22 contribution. The level scheme of 19C, including significantly the 1 /21- cross-shell state, is well accounted for by the YSOX shell-model interaction developed from the monopole-based universal interaction.

  2. Precise structural analysis of methane hydrate by neutron diffraction

    International Nuclear Information System (INIS)

    Igawa, Naoki; Hoshikawa, Akinori; Ishii, Yoshinobu

    2006-01-01

    Methane hydrate has attracted great interest as an energy resource to replace natural gas since this material is deposited in the seafloor and the deposits are estimated to exceed those of natural gas. Understanding the physical proprieties, such as the temperature dependence of the crystal structure, helps to specify the optimum environmental temperature and pressure during drilling, transport, and storage of methane hydrate. Clathrate hydrates consisted of encaging atomic and/or molecular species as a guest and host water formed by a hydrogen bonding. Although many studies on the clathrate hydrate including methane hydrate were reported, no detailed crystallographic property has yet been cleared. We focused on the motion of methane in the clathrate hydrate by the neutron diffraction. The crystal structure of the methane hydrate was analyzed by the applying the combination of the Rietveld refinement and the maximum entropy method (MEM) to neutron powder diffraction. Temperature dependence of the scattering-length density distribution maps revealed that the motion of methane molecules differs between the shapes of dodecahedron and tetrakaidecahedron. (author)

  3. Structure of HIV-1 protease determined by neutron crystallography

    International Nuclear Information System (INIS)

    Adachi, Motoyasu; Kuroki, Ryota

    2009-01-01

    HIV-1 protease is an aspartic protease, and plays an essential role in replication of HIV. To develop HIV-1 protease inhibitors through structure-based drug design, it is necessary to understand the catalytic mechanism and inhibitor recognition of HIV-1 protease. We have determined the crystal structure of HIV-1 protease in complex with KNI-272 to 1.9 A resolution by neutron crystallography in combination with 1.4 A resolution X-ray diffraction data. The results show that the carbonyl group of hydroxymethylcarbonyl (HMC) in KNI-272 forms a hydrogen bonding interaction with protonated Asp 25 and the hydrogen atom from the hydroxyl group of HMC forms a hydrogen bonding interaction with the deprotonated Asp125. This is the first neutron report for HIV-1/inhibitor complex and shows directly the locations of key hydrogen atoms in catalysis and in the binding of a transition-state analog. The results confirm key aspect of the presumed catalytic mechanism of HIV-1 protease and will aid in the further development of protease inhibitors. (author)

  4. Neutron scattering evidence for magnetic-field-driven abrut magnetic and structural transitions in a phase-separated manganite

    Czech Academy of Sciences Publication Activity Database

    Yaicle, C.; Martin, C.; Jirák, Zdeněk; Fauth, F.; André, G.; Suard, E.; Maignan, A.; Hardy, V.; Retoux, R.; Hervieu, M.

    2003-01-01

    Roč. 68, č. 22 (2003), s. 224412-1 - 224412-8 ISSN 0163-1829 Institutional research plan: CEZ:AV0Z1010914 Keywords : phase-separated manganite * magnetic and structural transitions * neutron scattering Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.962, year: 2003

  5. Precision measurement of the neutron spin dependent structure functions

    International Nuclear Information System (INIS)

    Kolomensky, Y.G.

    1997-02-01

    In experiment E154 at the Stanford Linear Accelerator Center the spin dependent structure function g 1 n (x, Q 2 ) of the neutron was measured by scattering longitudinally polarized 48.3 GeV electrons off a longitudinally polarized 3 He target. The high beam energy allowed the author to extend the kinematic coverage compared to the previous SLAC experiments to 0.014 ≤ x ≤ 0.7 with an average Q 2 of 5 GeV 2 . The author reports the integral of the spin dependent structure function in the measured range to be ∫ 0.014 0.7 dx g 1 n (x, 5 GeV 2 ) = -0.036 ± 0.004(stat.) ± 0.005(syst.). The author observes relatively large values of g 1 n at low x that call into question the reliability of data extrapolation to x → 0. Such divergent behavior disagrees with predictions of the conventional Regge theory, but is qualitatively explained by perturbative QCD. The author performs a Next-to-Leading Order perturbative QCD analysis of the world data on the nucleon spin dependent structure functions g 1 p and g 1 n paying careful attention to the experimental and theoretical uncertainties. Using the parameterizations of the helicity-dependent parton distributions obtained in the analysis, the author evolves the data to Q 2 = 5 GeV 2 , determines the first moments of the polarized structure functions of the proton and neutron, and finds agreement with the Bjorken sum rule

  6. Precision measurement of the neutron spin dependent structure functions

    Energy Technology Data Exchange (ETDEWEB)

    Kolomensky, Y.G.

    1997-02-01

    In experiment E154 at the Stanford Linear Accelerator Center the spin dependent structure function g{sub 1}{sup n} (x, Q{sup 2}) of the neutron was measured by scattering longitudinally polarized 48.3 GeV electrons off a longitudinally polarized {sup 3}He target. The high beam energy allowed the author to extend the kinematic coverage compared to the previous SLAC experiments to 0.014 {le} x {le} 0.7 with an average Q{sup 2} of 5 GeV{sup 2}. The author reports the integral of the spin dependent structure function in the measured range to be {integral}{sub 0.014}{sup 0.7} dx g{sub 1}{sup n}(x, 5 GeV{sup 2}) = {minus}0.036 {+-} 0.004(stat.) {+-} 0.005(syst.). The author observes relatively large values of g{sub 1}{sup n} at low x that call into question the reliability of data extrapolation to x {r_arrow} 0. Such divergent behavior disagrees with predictions of the conventional Regge theory, but is qualitatively explained by perturbative QCD. The author performs a Next-to-Leading Order perturbative QCD analysis of the world data on the nucleon spin dependent structure functions g{sub 1}{sup p} and g{sub 1}{sup n} paying careful attention to the experimental and theoretical uncertainties. Using the parameterizations of the helicity-dependent parton distributions obtained in the analysis, the author evolves the data to Q{sup 2} = 5 GeV{sup 2}, determines the first moments of the polarized structure functions of the proton and neutron, and finds agreement with the Bjorken sum rule.

  7. A Determination of the Neutron Spin Structure Function

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Emlyn W

    2003-08-18

    The authors report the results of the experiment E142 which measured the spin dependent structure function of the neutron, g{sub 1}{sup n}(x, Q{sup 2}). The experiment was carried out at the Stanford Linear Accelerator Center by measuring an asymmetry in the deep inelastic scattering of polarized electrons from a polarized {sup 3}He target, at electron energies from 19 to 26 GeV. The structure function was determined over the kinematic range 0.03 < BJorken x < 0.6 and 1.0 < Q{sup 2} < 5.5 (GeV/c){sup 2}. An evaluation of the integral {integral}{sub 0}{sup 1} g{sub 1}{sup n}(x,Q{sup 2})dx at fixed Q{sup 2} = 2 (GeV/c){sup 2} yields the final result {Lambda}{sub 1}{sup n} = -0.032 {+-} 0.006 (stat.) {+-} 0.009 (syst.). This result, when combined with the integral of the proton spin structure function measured in other experiments, confirms the fundamental Bjorken sum rule with O({alpha}{sub s}{sup 3}) corrections to within one standard deviation. This is a major success for perturbative Quantum Chromodynamics. Some ancillary results include the findings that the Ellis-Jaffe sum rule for the neutron is violated at the 2 {sigma} level, and that the total contribution of the quarks to the helicity of the nucleon is 0.36 {+-} 0.10. The strange sea polarization is estimated to be small and negative, {Delta}s = -0.07 {+-} 0.04.

  8. Factors determining the sensitivity of multi-layer neutron detector

    International Nuclear Information System (INIS)

    Dedenko, G.L.; Kadilin, V.V.; Kolesnikov, S.V.; Novikov, D.V.; Samosadnyj, A.V.; Samosadnyj, V.T.

    2005-01-01

    The design of the new multi-layer neutron detector MDN2 intended for estimation of the energy spectrum of neutron flux in the 0-20 MeV energy range is described. The detector consists of five layers. Each detection layer comprises a row of helium counters and a polyethylene moderator. The data acquisition system based on the controller PRC3-6 is developed specially for the neutron detector MDN2. The influence of the number of helium-3 counters in the assembly, the moderator thickness, neutron energy and gas pressure in counters on the sensitivity of the neutron detector MDN2 is investigated by means of the program NEDSUM-2 [ru

  9. Structural characterizaton of deep-submicron lithographic structures using small-angle neutron scattering

    Science.gov (United States)

    Lin, Eric K.; Jones, Ronald L.; Wu, Wen-li; Barker, John G.; Bolton, Patrick J.; Barclay, George G.

    2002-07-01

    As critical dimensions continue to decrease with each technology node, the precise characterization of line width and profile becomes an increasingly challenging task. Small angle neutron scattering (SANS) offers several advantages for the characterization of sub-100 nm structures, particularly as a calibrating measurement method. In this work, SANS is used to characterize three samples prepared with the same mask and focus conditions, but different photoresist formulations. The mask pattern consists of parallel lines with a nominal line width of 180 nm and a 1:2 line to space ratio. Scattering data are taken using both a focused neutron beam instrument (two-dimensional data) and a perfect crystal diffraction ultra-high resolution small angle neutron scattering (USANS) instrument. From the location and intensity of observed diffraction peaks, both the periodicity of each grating pattern and the average line widths are determined from simple analytic expressions with nanometer resolution.

  10. Assessment of radiation fields from neutron irradiated structural components of the 40 MW research reactor CIRUS

    International Nuclear Information System (INIS)

    Sankaranarayanan, S.; Sharma, S.K.

    1993-01-01

    The paper summarizes the results of an assessment of the radiation fields from the long-lived neutron activation products (including the decay chain products) in the various structural components of the CIRUS reactor. Special attention is given for the analysis of neutron activation of impurity elements present in the materials of the structure. 16 refs, 4 figs, 4 tabs

  11. The effect of temperature and the spin excess parameter on neutron stars structure

    International Nuclear Information System (INIS)

    Abd-Alla, M.; Hassan, M.Y.M.; Ragab, H.S.

    1990-10-01

    A previous equation of state, deduced for thermal neutron matter with spin excess neutrons, is used to explore the effect of temperature and spin excess parameter on neutron star structure. The spin excess parameter is found to have a significant decreasing effect on the maximum mass of neutron stars, while it has an increasing effect on the central density of stable neutron stars. The behaviour of neutron star radius, for stars with central density less than three times normal nuclear matter density, depends on the spin excess parameter in a significant way. For stars having larger central density the spin excess parameter has a little decreasing effect on the star radius. The temperature is found to have a little increasing effect on both the star mass and its radius. The equation of state used is very stiff, but the resulting maximum masses lie within the range of neutron stars masses deduced from X-ray binaries. (author). 19 refs, 6 figs

  12. Structural investigation of carbon/carbon composites by neutron scattering

    International Nuclear Information System (INIS)

    Prem, Manfred; Krexner, Gerhard; Peterlik, Herwig

    2006-01-01

    Carbon/carbon (C/C) composite material was investigated by means of small-angle as well as wide-angle elastic neutron scattering. The C/C-composites were built up from bi-directionally woven fabrics from PAN-based carbon fibers. Pre-impregnation with phenolic resin was followed by pressure curing and carbonization at 1000 deg. C and a final heat treatment at either 1800 or 2400 deg. C. Measurements of the samples were performed in orientations arranging the carbon fibers, respectively, parallel and perpendicular to the incoming beam. Structural features of the fibers as well as the inherently existing pores are presented and the influence of the heat treatment is discussed. The results are compared to earlier X-ray investigations of carbon fibers and C/C-composites

  13. Solvent structure in crystals of trypsin determined by X-ray and neutron diffraction.

    Science.gov (United States)

    Finer-Moore, J S; Kossiakoff, A A; Hurley, J H; Earnest, T; Stroud, R M

    1992-03-01

    The solvent structure in orthorhombic crystals of bovine trypsin has been independently determined by X-ray diffraction to 1.35 A resolution and by neutron diffraction to 2.1 A resolution. A consensus model of the water molecule positions was obtained using oxygen positions identified in the electron density map determined by X-ray diffraction, which were verified by comparison to D2O-H2O difference neutron scattering density. Six of 184 water molecules in the X-ray structure, all with B-factors greater than 50 A2, were found to be spurious after comparison with neutron results. Roughly two-thirds of the water of hydration expected from thermodynamic data for proteins was localized by neutron diffraction; approximately one-half of the water of hydration was located by X-ray diffraction. Polar regions of the protein are well hydrated, and significant D2O-H2O difference density is seen for a small number of water molecules in a second shell of hydration. Hydrogen bond lengths and angles calculated from unconstrained refinement of water positions are distributed about values typically seen in small molecule structures. Solvent models found in seven other bovine trypsin and trypsinogen and rat trypsin structures determined by X-ray diffraction were compared. Internal water molecules are well conserved in all trypsin structures including anionic rat trypsin, which is 65% homologous to bovine trypsin. Of the 22 conserved waters in trypsin, 19 were also found in trypsinogen, suggesting that they are located in regions of the apoprotein that are structurally conserved in the transition to the mature protein. Seven waters were displaced upon activation of trypsinogen. Water structure at crystal contacts is not generally conserved in different crystal forms. Three groups of integral structural water molecules are highly conserved in all solvent structures, including a spline of water molecules inserted between two beta-strands, which may resemble an intermediate in the

  14. Neutron diffraction studies of atomic structures of amorphous Fe-Ge and Ni-Ge alloys

    International Nuclear Information System (INIS)

    Yamada, Kazuyoshi; Endoh, Yasuo; Ishikawa, Yoshikazu; Watanabe, Noboru.

    1980-01-01

    The structures of Ge rich amorphous Fe-Ge and Ni-Ge alloys were studied by pulsed neutron total scattering. The partial structure factors of S sub(GeGe)(Q), S sub(NiGe)(Q) and S sub(NiNi)(Q) were determined successfully by using Ni 60 isotope for the Ni-Ge alloys. The Ge atoms in the 10 at% Ni-Ge amorphous alloy were found to construct a similar atomic structure as that of the amorphous Ge, while the intermediate short range order configuration between the tetrahedral random network (TRN) and the dense random packing (DRP) structure was found for the 30 at% Ni-Ge alloy. The Ge-Ge pair correlation for this intermediate short range order could well be reproduced by the modified Ge II microcrystalline model. (author)

  15. Structural integrity assessment based on the HFR Petten neutron beam facilities

    International Nuclear Information System (INIS)

    Ohms, C.; Youtsos, A.G.; Idsert, P. van den

    2002-01-01

    Neutrons are becoming recognized as a valuable tool for structural-integrity assessment of industrial components and advanced materials development. Microstructure, texture and residual stress analyses are commonly performed by neutron diffraction and a joint CEN/ISO Pre-Standard for residual stress analysis is under development. Furthermore neutrons provide for defects analyses, i.e. precipitations, voids, pores and cracks, through small-angle neutron scattering (SANS) or radiography. At the High Flux Reactor, 12 beam tubes have been installed for the extraction of thermal neutrons for such applications. Two of them are equipped with neutron diffractometers for residual stress and structure determination and have been extensively used in the past. Several other facilities are currently being reactivated and upgraded. These include the SANS and radiography facilities as well as a powder diffractometer. This paper summarizes the main characteristics and current status of these facilities as well as recently investigated applications. (orig.)

  16. Structural integrity assessment based on the HFR Petten neutron beam facilities

    Science.gov (United States)

    Ohms, C.; Youtsos, A. G.; van den Idsert, P.

    Neutrons are becoming recognized as a valuable tool for structural-integrity assessment of industrial components and advanced materials development. Microstructure, texture and residual stress analyses are commonly performed by neutron diffraction and a joint CEN/ISO Pre-Standard for residual stress analysis is under development. Furthermore neutrons provide for defects analyses, i.e. precipitations, voids, pores and cracks, through small-angle neutron scattering (SANS) or radiography. At the High Flux Reactor, 12 beam tubes have been installed for the extraction of thermal neutrons for such applications. Two of them are equipped with neutron diffractometers for residual stress and structure determination and have been extensively used in the past. Several other facilities are currently being reactivated and upgraded. These include the SANS and radiography facilities as well as a powder diffractometer. This paper summarizes the main characteristics and current status of these facilities as well as recently investigated applications.

  17. Structural integrity assessment based on the HFR Petten neutron beam facilities

    CERN Document Server

    Ohms, C; Idsert, P V D

    2002-01-01

    Neutrons are becoming recognized as a valuable tool for structural-integrity assessment of industrial components and advanced materials development. Microstructure, texture and residual stress analyses are commonly performed by neutron diffraction and a joint CEN/ISO Pre-Standard for residual stress analysis is under development. Furthermore neutrons provide for defects analyses, i.e. precipitations, voids, pores and cracks, through small-angle neutron scattering (SANS) or radiography. At the High Flux Reactor, 12 beam tubes have been installed for the extraction of thermal neutrons for such applications. Two of them are equipped with neutron diffractometers for residual stress and structure determination and have been extensively used in the past. Several other facilities are currently being reactivated and upgraded. These include the SANS and radiography facilities as well as a powder diffractometer. This paper summarizes the main characteristics and current status of these facilities as well as recently in...

  18. Structure and dynamics of high-Tc superconductors by neutron scattering

    International Nuclear Information System (INIS)

    Rosta, L.

    1990-01-01

    The wide possibilities of neutron scattering methods are pointed out for the investigation of high-T c superconductors. In structure determination neutrons have the advantage to be sensitive for oxygen, thus neutron diffraction may give complete crystallographic description of copper oxide compounds. Neutron studies also reveal information on oxygen ordering which is an important contribution to understand superconductivity. On the other hand neutron scattering provide fundamental results for supporting microscopic theories to explain the very high T c . Vibrational density of states and phonon dispersion curve measurements provided evidence of strong electron-phonon coupling as a possibility to extend BCS models. Finally the use of magnetic scattering of neutrons is demonstrated for characterizing the antiferromagnetic structure and magnetic interactions as a possible progenitor for pairing in the high-T c cuprates

  19. Structural studies at high pressure using time-of-flight neutron powder diffraction

    International Nuclear Information System (INIS)

    Jorgensen, J.D.

    1989-07-01

    Time-of-flight neutron powder diffraction offers unique capabilities for structural studies at high pressure. Scientific applications have included studies of compression mechanisms, new high-pressure structures, and phase transitions. 11 refs., 1 fig

  20. A review of the scientific basis for the quality factor for fast neutrons

    International Nuclear Information System (INIS)

    Myers, D.K.; Johnson, J.R.

    1986-04-01

    Recently, the ICRP has recommended that the quality factor for fast neutrons be increased by a factor of two. They did not give a detailed explanation of the reasons for their recommendations, but indicated that the reasons would be developed as part of a much larger review of the quality factor for all radiations. Since it is AECB's policy to follow ICRP's recommendations unless there is good reason not to do so, and since the changing of the quality factor for neutrons has not been generally accepted by other countries a review of the scientific basis for the neutron quality factor was requested. This report gives results of that review. The report reviews the available published information on the relative biological effectiveness (RBE) of neutrons and on the physical basis for the neutron quality factor for use in personnel dosimetry programs. It is concluded that some, but by no means all, of the RBE data supports an increased quality factor, but the relevance of this data to the quality factor for use in radiaton protection is not clear for two reasons. Firstly, the biological endpoints are not all directly extrapolatable to late stochastic effects in humans, and secondly, the current conservative selection of a quality factor for neutrons, and the conservative practise of equating whole body dose to the maximum dose equivalent, leads to a factor of about 10 conservatism in the assignment of neutron dose equivalents. The overall conclusion of the review is that there is no compelling reason to increase the quality factor for neutrons at least until the ICRP has completed its comprehensive review of the subject. 58 refs

  1. Behavior of structural and target materials irradiated in spallation neutron environments

    Energy Technology Data Exchange (ETDEWEB)

    Stubbins, J.F. [Univ. of Illinois, Urbana, IL (United States); Wechsler, M. [North Carolina State Univ., Raleigh, NC (United States); Borden, M. [Los Alamos National Laboratory, NM (United States)] [and others

    1995-10-01

    This paper describes considerations for selection of structural and target materials for accelerator-driven neutron sources. Due to the operating constraints of proposed accelerator-driven neutron sources, the criteria for selection are different than those commonly applied to fission and fusion systems. Established irradiation performance of various alloy systems is taken into account in the selection criteria. Nevertheless, only limited materials performance data are available which specifically related to neutron energy spectra anticipated for spallation sources.

  2. Fuel material neutron crystallography texture and structure determinations (1960)

    International Nuclear Information System (INIS)

    Laniesse, J.; Englander, M.; Meriel, P.

    1960-01-01

    The method here described has the advantage over the classic X-ray diffraction method of giving fuller and quicker information about the texture of a built polycrystalline aggregate of U metal, and of following more easily the evolution of its crystalline structure during the allotropic transformation. It uses a thermal neutron beam coming out of the Saclay CEN reactor EL3, monochromatized at λ = 1,143 ± 0,030 Angstrom, and directed after collimation, perpendicularly to the fiber axis of an optimized dimensioned cylindrical specimen. The scattered neutron beam is collected into a BF3 counter which is able to describe in a horizontal plane containing the neutron beam axis, a circle 130 cm in radius centered on the specimen. In testing at room temperature a specimen which is entirely free from residual or parasite texture, the reference spectral lines of pure U alpha phase are determined by means of a recording meter and a counting device. The same method gives the spectral distribution of the U beta phase by using, instead of pure uranium, a metastable solid solution containing a minimum concentration of some metallic impurities (Cr or Si). These spectra are then compared with the calculated ones and the X-ray diffraction ones. After choosing a certain number of given diffraction lines, it was possible to check qualitatively and semi-quantitatively the evolution of eventual predominant orientations versus mechanical and/or thermal treatments. By following the intensity of a 'mixed' spectrum line suitably placed within the lines of the α and β spectra, it was possible to determine the kinetic of the β → α transformation at temperature where frequency and counting rates are adequate. By way of examples, the paper illustrates results obtained with a 600 deg. C extruded pure U rod (reduction in area = 6 ,4) , and with a four times beta-water quenched α extruded specimen. It also shows the equation giving the time for the β → α transformation at 333 deg. K

  3. Extraction of the neutron electric form factor from measurements of inclusive double spin asymmetries

    Science.gov (United States)

    Sulkosky, V.; Jin, G.; Long, E.; Zhang, Y.-W.; Mihovilovic, M.; Kelleher, A.; Anderson, B.; Higinbotham, D. W.; Širca, S.; Allada, K.; Annand, J. R. M.; Averett, T.; Bertozzi, W.; Boeglin, W.; Bradshaw, P.; Camsonne, A.; Canan, M.; Cates, G. D.; Chen, C.; Chen, J.-P.; Chudakov, E.; De Leo, R.; Deng, X.; Deur, A.; Dutta, C.; El Fassi, L.; Flay, D.; Frullani, S.; Garibaldi, F.; Gao, H.; Gilad, S.; Gilman, R.; Glamazdin, O.; Golge, S.; Gomez, J.; Hansen, J.-O.; Holmstrom, T.; Huang, J.; Ibrahim, H.; de Jager, C. W.; Jensen, E.; Jiang, X.; Jones, M.; Kang, H.; Katich, J.; Khanal, H. P.; King, P.; Korsch, W.; LeRose, J.; Lindgren, R.; Lu, H.-J.; Luo, W.; Markowitz, P.; Meekins, D.; Meziane, M.; Michaels, R.; Moffit, B.; Monaghan, P.; Muangma, N.; Nanda, S.; Norum, B. E.; Pan, K.; Parno, D.; Piasetzky, E.; Posik, M.; Punjabi, V.; Puckett, A. J. R.; Qian, X.; Qiang, Y.; Qui, X.; Riordan, S.; Saha, A.; Sawatzky, B.; Shabestari, M.; Shahinyan, A.; Shoenrock, B.; John, J. St.; Subedi, R.; Tobias, W. A.; Tireman, W.; Urciuoli, G. M.; Wang, D.; Wang, K.; Wang, Y.; Watson, J.; Wojtsekhowski, B.; Ye, Z.; Zhan, X.; Zhang, Y.; Zheng, X.; Zhao, B.; Zhu, L.; Jefferson Lab Hall A Collaboration

    2017-12-01

    Background: Measurements of the neutron charge form factor, GEn, are challenging because the neutron has no net charge. In addition, measurements of the neutron form factors must use nuclear targets which require accurately accounting for nuclear effects. Extracting GEn with different targets and techniques provides an important test of our handling of these effects. Purpose: The goal of the measurement was to use an inclusive asymmetry measurement technique to extract the neutron charge form factor at a four-momentum transfer of 1 (GeV/c ) 2 . This technique has very different systematic uncertainties than traditional exclusive measurements and thus serves as an independent check of whether nuclear effects have been taken into account correctly. Method: The inclusive quasielastic reaction 3He ⃗(e ⃗,e') was measured at Jefferson Laboratory. The neutron electric form factor, GEn, was extracted at Q2=0.98 (GeV/c ) 2 from ratios of electron-polarization asymmetries measured for two orthogonal target spin orientations. This Q2 is high enough that the sensitivity to GEn is not overwhelmed by the neutron magnetic contribution, and yet low enough that explicit neutron detection is not required to suppress pion production. Results: The neutron electric form factor, GEn, was determined to be 0.0414 ±0.0077 (stat)±0.0022 (syst) , providing the first high-precision inclusive extraction of the neutron's charge form factor. Conclusions: The use of the inclusive quasielastic 3He ⃗(e ⃗,e') with a four-momentum transfer near 1 (GeV/c ) 2 has been used to provide a unique measurement of GEn. This new result provides a systematically independent validation of the exclusive extraction technique results and implies that the nuclear corrections are understood. This is contrary to the proton form factor where asymmetry and differential cross section measurements have been shown to have large systematic differences.

  4. Advantages of neutron scattering for biological structure analysis

    International Nuclear Information System (INIS)

    Schoenborn, B.P.

    1975-01-01

    The advantages and disadvantages of neutron scattering for protein crystallography, scattering from oriented systems, and solution scattering are summarized. Techniques for minimizing the disadvantages are indicated

  5. Neutron beam applications - Development of single crystal structure analysis technique using the HANARO neutron four circle diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Il Hwan; Kim, Moon Jib; Kim, Jin Gyu [Chungnam National University, Taejon (Korea)

    2000-04-01

    As the four circle diffractometer (FCD) has been set up in HANARO, it has become possible to study the single crystal structures by means of the neutron diffraction. Taking account of the geometry of the FCD, a program for the control of te FCD and neutron data acquisition operating under Windows' circumstance has been accomplished. Also, a computer program which can automatically measure the diffraction intensity data has been developed. All data obtained from the FCD are processed automatically for further work and a software for the single crystal structure analyses has been prepared. A KC1 single crystal was selected as first test sample for a structure analysis had been successfully performed on the FCD using in-house developed program and accordingly their functionings with precision were confirmed. For regular single crystal diffraction experiments, the structure analyses of chrysoberyl and Zr(Y)0{sub 1.87} single crystals were performed using both neutron and X-ray diffraction methods, and the result showed that the neutron diffraction work is superior to the X-ray one from the viewpoint of certain crystallographic information obtainable only from the former one. 24 refs., 15 figs., 15 tabs. (Author)

  6. New developments in neutron scattering for the study of molecular systems: structure and diffusive motions

    International Nuclear Information System (INIS)

    Volino, F.

    1976-01-01

    After a short review of the main concepts concerning the neutron and its interaction with matter, the authors focus their attention on the study of molecular systems by means of neutron scattering. Instead of reviewing the subject yet again, they limit themselves to the new kind of work which can be done now, with the combined help of high flux reactors and novel instruments. As examples, a few experiments performed at the Institut Laue-Langevin in Grenoble are described: a neutron diffraction study of liquid acetonitrile using a powder diffractometer installed at the hot source; three high-resolution quasi-elastic studies of molecular motions - in an organic solid, (PAA), an organic liquid (C 3 H 6 ) and a liquid crystal (TBBA) - made by combining measurements with high and ultra-high energy resolution spectrometers installed at the cold source. The concept of elastic incoherent structure factor (EISF) is extensively used for the analysis. Finally some prospects on possible future developments are presented. (orig./HK) [de

  7. Heparin's solution structure determined by small-angle neutron scattering.

    Science.gov (United States)

    Rubinson, Kenneth A; Chen, Yin; Cress, Brady F; Zhang, Fuming; Linhardt, Robert J

    2016-12-01

    Heparin is a linear, anionic polysaccharide that is widely used as a clinical anticoagulant. Despite its discovery 100 years ago in 1916, the solution structure of heparin remains unknown. The solution shape of heparin has not previously been examined in water under a range of concentrations, and here is done so in D2 O solution using small-angle neutron scattering (SANS). Solutions of 10 kDa heparin-in the millimolar concentration range-were probed with SANS. Our results show that when sodium concentrations are equivalent to the polyelectrolyte's charge or up to a few hundred millimoles higher, the molecular structure of heparin is compact and the shape could be well modeled by a cylinder with a length three to four times its diameter. In the presence of molar concentrations of sodium, the molecule becomes extended to nearly its full length estimated from reported X-ray measurements on stretched fibers. This stretched form is not found in the presence of molar concentrations of potassium ions. In this high-potassium environment, the heparin molecules have the same shape as when its charges were mostly protonated at pD ≈ 0.5, that is, they are compact and approximately half the length of the extended molecules. © 2016 Wiley Periodicals, Inc.

  8. An investigation of the structure of disordered materials by using neutron diffraction

    International Nuclear Information System (INIS)

    Petri, I.

    1999-01-01

    The structure of several semiconducting, metallic and ionic disordered materials was investigated using neutron diffraction and the results were compared with those obtained from recent ab initio molecular dynamics methods. The method of isotopic substitution was applied to measure the full set of partial structure factors, S αβ (Q), for the liquid semiconductor GeSe and the covalent network glass GeSe 2 . Their short range ordering and for GeSe 2 also the intermediate range ordering were identified and a substantial number of 'defects' such as homopolar bonds were detected in both systems. Further, the structure of liquid GeSe 2 with increasing temperature was studied at the total structure factor level. Also, changes in the topology of Ge x Se 1-x glasses in the range 0 ≤ x ≤ 0.4 were observed and investigated by measuring the total structure factors. As far as possible our results were compared with those from molecular dynamics studies. The Ge-Se system was found to serve as a sensitive test-system for these studies, giving an insight into the strengths and limitations of them. For instance, problems are found in the region of the homopolar bonds for g GeGe (r) and for the first sharp diffraction peak in the Bhatia-Thornton concentration-concentration structure factor that could not be reproduced. The structure of liquid lithium was measured and particular attention was paid to the inelasticity and resolution function corrections. The ion-ion and ion-valence electron partial structure factors were obtained and found to be in good agreement with ab initio molecular dynamics studies. The method of first order difference functions in neutron diffraction in combination with H/D substitution was applied to 2 molal solutions of Cu(ClO 4 ) 2 in perchloric acid to measure the Cu-H and, to a first order approximation, the Cu-O partial structure factor. A (4 + 1) distortion of the hydration shell around the Cu 2+ ion was measured. (author)

  9. Small-angle neutron and X-ray scattering studies of supraatomic structure of synthetic quartz irradiated by fast neutrons

    International Nuclear Information System (INIS)

    Lebedev, V.M.; Lebedev, V.T.; Orlov, S.P.; Golubkov, V.V.; Pevzner, B.Z.; Tolstikhin, I.N.

    2008-01-01

    Quartz nanostructures have been simulated for the investigation into diffusion of gases in the Earth crust. The nanostructure of synthetic quartz irradiated by fast neutrons with energy E n >0.1 MeV was studied by neutron and X-ray small-angle scattering. The range of neutron fluence is of 10 17 cm -2 up to 2x10 -2 0 cm -2 . In the irradiated samples the different kinds of defects such as point-like, extended linear (dislocations) and globular (size ∼100 nm, amorphous phase nuclei) were observed. The density of highly irradiated quartz (fluence 2x10 20 cm -2 ) is shown to decrease by 0.39 g/cm 2 and reach the magnitude of 2.260 g/cm 2 corresponding to 100% metamict phase. The first results of model structures helium saturation have been received [ru

  10. Structure of light neutron-rich nuclei through Coulomb dissociation

    Indian Academy of Sciences (India)

    O, the low-lying E1 strength amounts up to about 12% of the energy weighted dipole sum rule strength depending on neutron excess. The cluster sum rule limit with. ½. O as a core is almost exhausted for. ½,½. O, while for more neutron rich isotopes the strength with respect to that limit decreases. Keywords. Coulomb ...

  11. Structure of Aqueous Trehalose Solution by Neutron Diffraction and Structural Modeling.

    Science.gov (United States)

    Olsson, Christoffer; Jansson, Helén; Youngs, Tristan; Swenson, Jan

    2016-12-15

    The molecular structure of an aqueous solution of the disaccharide trehalose (C 12 H 22 O 11 ) has been studied by neutron diffraction and empirical potential structure refinement modeling. Six different isotope compositions with 33 wt % trehalose (corresponding to 38 water molecules per trehalose molecule) were measured to ensure that water-water, trehalose-water, and trehalose-trehalose correlations were accurately determined. In fact, this is the first neutron diffraction study of an aqueous trehalose solution in which also the nonexchangeable hydrogen atoms in trehalose are deuterated. With this approach, it was possible to determine that (1) there is a substantial hydrogen bonding between trehalose and water (∼11 hydrogen bonds per trehalose molecule), which is in contrast to previous neutron diffraction studies, and (2) there is no tendency of clustering of trehalose, in contrast to what is generally observed by molecular dynamics simulations and experimentally found for other disaccharides. Thus, the results give the structural picture that trehalose prefers to interact with water and participate in a hydrogen-bonded network. This strong network character of the solution might be one of the key reasons for its extraordinary stabilization effect on biological materials.

  12. Determination of neutron buildup factor using analytical solution of one-dimensional neutron diffusion equation in cylindrical geometry

    International Nuclear Information System (INIS)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio; Borges, Volnei; Bodmann, Bardo Ernest

    2011-01-01

    The principal idea of this work, consist on formulate an analytical method to solved problems for diffusion of neutrons with isotropic scattering in one-dimensional cylindrical geometry. In this area were develop many works that study the same problem in different system of coordinates as well as cartesian system, nevertheless using numerical methods to solve the shielding problem. In view of good results in this works, we starting with the idea that we can represent a source in the origin of the cylindrical system by a Delta Dirac distribution, we describe the physical modeling and solved the neutron diffusion equation inside of cylinder of radius R. For the case of transport equation, the formulation of discrete ordinates S N consists in discretize the angular variables in N directions and in using a quadrature angular set for approximate the sources of scattering, where the Diffusion equation consist on S 2 approximated transport equation in discrete ordinates. We solved the neutron diffusion equation with an analytical form by the finite Hankel transform. Was presented also the build-up factor for the case that we have neutron flux inside the cylinder. (author)

  13. Determination of neutron buildup factor using analytical solution of one-dimensional neutron diffusion equation in cylindrical geometry

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio, E-mail: julio.lombaldo@ufrgs.b, E-mail: vilhena@pq.cnpq.b [Universidade Federal do Rio Grande do Sul (DMPA/UFRGS), Porto Alegre, RS (Brazil). Dept. de Matematica Pura e Aplicada. Programa de Pos Graduacao em Matematica Aplicada; Borges, Volnei; Bodmann, Bardo Ernest, E-mail: bardo.bodmann@ufrgs.b, E-mail: borges@ufrgs.b [Universidade Federal do Rio Grande do Sul (PROMEC/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica

    2011-07-01

    The principal idea of this work, consist on formulate an analytical method to solved problems for diffusion of neutrons with isotropic scattering in one-dimensional cylindrical geometry. In this area were develop many works that study the same problem in different system of coordinates as well as cartesian system, nevertheless using numerical methods to solve the shielding problem. In view of good results in this works, we starting with the idea that we can represent a source in the origin of the cylindrical system by a Delta Dirac distribution, we describe the physical modeling and solved the neutron diffusion equation inside of cylinder of radius R. For the case of transport equation, the formulation of discrete ordinates S{sub N} consists in discretize the angular variables in N directions and in using a quadrature angular set for approximate the sources of scattering, where the Diffusion equation consist on S{sub 2} approximated transport equation in discrete ordinates. We solved the neutron diffusion equation with an analytical form by the finite Hankel transform. Was presented also the build-up factor for the case that we have neutron flux inside the cylinder. (author)

  14. Gain factors with the new supermirror guide system at the Budapest Neutron Centre

    International Nuclear Information System (INIS)

    Rosta, L.; Cser, L.; Revay, Z.

    2002-01-01

    In parallel with the installation of a cold-neutron source (CNS) at the 10-MW Budapest Research Reactor, the neutron-guide system has been redesigned and replaced by state of art neutron optical elements. Monte Carlo calculations have been used to determine the optimal conditions for the guide parameters. For the three cold-neutron beams nearly 100 m of new guides were installed; a great part is made of supermirrors. The new in-pile guide system and the individual shutters enable minimal losses at the starting sections. The out-of-pile part was optimized for the experimental stations. The neutron-flux measurements were compared with the simulated values. The combined effect of the CNS and the guide system yields a gain factor in the flux as high as 30-60. (orig.)

  15. Determination of magnetic structure of substance based on neutron diffraction experiment data

    International Nuclear Information System (INIS)

    Men'shikov, A.Z.; Vokhmyanin, A.P.; Dorofeev, Yu.A.

    1997-01-01

    The technique based on the experimental neutron diffraction data is developed for determination of the magnetic structure in solid solutions with the high symmetry. The theoretical junction of the elastic magnetic neutron scattering is considered. The examples of definition of magnetic structures of alloys Fe(Pd 1-x Pt) 3 , Fe(Pt 1-x Au) 3 , (Mn 1-x Fe x )Pt, (Fe 1-x Mn x )Pt by means of the proposed method are presented. The neutron diffraction images obtained with the resolution equal to 10 -2 are used for the recognition of the magnetic structures of these alloys [ru

  16. X-Ray and Neutron Scattering Study of the Magnetic Structure of Neodymium Metal

    DEFF Research Database (Denmark)

    Lebech, Bente; Als-Nielsen, Jens Aage; McEwen, K. A.

    1979-01-01

    A combined x-ray and neutron diffraction study has shown that the so-called "triple-q⃗" structure is not the correct model of the magnetic structure of neodymium. The x-ray data showed only the Bragg reflections originating from the double-hcp lattice. Hence, all additional reflections observed...... below TN by neutrons are of magnetic origin. Additional neutron-diffraction data have shown that the magnetic structure must be described by modulation wave vectors with components both parallel and perpendicular to the 〈100〉 axes....

  17. Neutron diffraction studies of the low-temperature magnetic structure of hexagonal FeGe

    DEFF Research Database (Denmark)

    Bernhard, J.; Lebech, Bente; Beckman, O.

    1984-01-01

    the critical field decreases and the anomaly becomes less pronounced. The cone structure is found to persist up at least 3.9 T, which was the upper limit of the applied field. The neutron diffraction data are discussed and related to previously published macroscopic data (e.g. magnetic susceptibility, torsion......The magnetic structure of the hexagonal polymorph of FeGe has been investigated by means of neutron diffraction on single crystals at low temperature and for magnetic fields applied perpendicular to the c axis. Between 410 and approximately 55K the magnetic structure is collinear c...... and Mossbauer data) as well as to earlier neutron diffraction results....

  18. Partial structure factors and orientational correlations in liquid HI

    International Nuclear Information System (INIS)

    Andreani, C.; Nardone, M.; Ricci, F.P.

    1993-01-01

    The three atomic partial structure factors of orthobaric liquid HI at 253 K derived from neutron diffraction experiments are presented. The analysis of these structure factors and of the corresponding pair distribution functions indicates that the molecular center of mass distribution function is essentially that of a monoatomic Lennard-Jones fluid and that the anisotropic part of the intermolecular potential is able to build up orientational correlations between molecular axes without however giving rise to well defined correlations between the intermolecular axis and the molecular axis. These findings are consistent with an anisotropic part of the intermolecular potential due essentially to electric multipoles. (authors). 4 figs., 4 refs

  19. Study of the structure of yrast bands of neutron-rich 114-124Pd isotopes

    Science.gov (United States)

    Chaudhary, Ritu; Devi, Rani; Khosa, S. K.

    2018-02-01

    The projected shell model calculations have been carried out in the neutron-rich 114-124Pd isotopic mass chain. The results have been obtained for the deformation systematics of E(2+1) and E(4+1)/E({2}+1) values, BCS subshell occupation numbers, yrast spectra, backbending phenomena, B( E2) transition probabilities and g-factors in these nuclei. The observed systematics of E(2+1) values and R_{42} ratios in the 114-124Pd isotopic mass chain indicate that there is a decrease of collectivity as the neutron number increases from 68 to 78. The occurrence of backbending in these nuclei as well as the changes in the calculated B( E2) transition probabilities and g -factors predict that there are changes in the structure of yrast bands in these nuclei. These changes occur at the spin where there is crossing of g-band by 2-qp bands. The predicted backbendings and predicted values of B( E2)s and g-factors in some of the isotopes need to be confirmed experimentally.

  20. Factors affecting neutron measurements and calculations. Part B. Effects of local environment

    International Nuclear Information System (INIS)

    Santoro, Robert T.; Kerr, George D.; Pace, Joseph V. III; Lillie, Richard A.

    2005-01-01

    One of the difficulties encountered by Hiroshima and Nagasaki atomic-bomb analysts was achieving agreement between measured and calculated neutron activation data, particularly for the cases of materials that were activated by thermal and epithermal neutrons. In DS86 (Kerr et al. 1987) and the work reported here, the adopted standard was to calculate neutron kerma and neutron activation at 1 m above flat, wet ground as a function of distance from the burst. This two-dimensional air-over-ground model does not account for local effects, because the air-ground interface is a flat surface that offers no local shielding by terrain fluctuations, houses, walls, etc. In addition, the ground composition is assumed to be the same at all ground ranges. The composition of the surface and local environment conditions can have profound impact on the thermal neutron response at 1 m above the ground surface. Depending on the composition of the surface materials and assumptions made for the presence of buildings and other structures, calculated responses might increase or decrease the neutron activation of materials by thermal and epithermal neutrons. The examination of measured neutron activation responses suggests that wide variations did indeed occur. Measured and calculated activation data were, in some cases, found to differ by as much as 10% to 50% depending on location and distance from the hypocenter. In other cases, measured activation data taken at the same ground range often showed differences among themselves. (J.P.N.)

  1. The use of neutron scattering to determine the functional structure of glycoside hydrolase.

    Science.gov (United States)

    Nakamura, Akihiko; Ishida, Takuya; Samejima, Masahiro; Igarashi, Kiyohiko

    2016-10-01

    Neutron diffraction provides different information from X-ray diffraction, because neutrons are scattered by atomic nuclei, whereas X-rays are scattered by electrons. One of the key advantages of neutron crystallography is the ability to visualize hydrogen and deuterium atoms, making it possible to observe the protonation state of amino acid residues, hydrogen bonds, networks of water molecules and proton relay pathways in enzymes. But, because of technical difficulties, less than 100 enzyme structures have been evaluated by neutron crystallography to date. In this review, we discuss the advantages and disadvantages of neutron crystallography as a tool to investigate the functional structure of glycoside hydrolases, with some examples. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. An investigation of fossil bone mineral structure with neutron scattering

    International Nuclear Information System (INIS)

    Batdehmbehrehl, G.; Chultehm, D.; Sangaa, D.

    1999-01-01

    Using the neutron diffraction method a domination of low crystal syngonic (sp. gr. P63/m) phase Ca 5 [PO 4 ] 3 (OH, F, Cl) in the fossil dinosaur bone has been established. It is shown that the neutron diffraction method has large advantages in apatite phase of any vertebrates studies and in the case of carbonate phase x-ray method it becomes to be preferable. (author)

  3. Single-Particle Structure of Neutron-Rich Nuclei

    International Nuclear Information System (INIS)

    Cizewski, Jolie; Jones, K.L.; Thomas, J.S.; Bardayan, Daniel W.; Blackmon, Jeff C.; Gross, Carl J.; Liang, J. Felix; Shapira, Dan; Smith, Michael Scott; Stracener, Daniel W.; Kozub, R.L.; Nesaraja, Caroline D.; Greife, U.; Livesay, Jake; Ma, Zhanwen

    2004-01-01

    Neutron transfer (d,p) reactions have been measured with rare isotope beams of 132Sn, 130Sn and 134Te accelerated to ∼4.5 MeV/u interacting with CD2 targets. Reaction protons were detected in an early implementation of the ORRUBA array of position-sensitive silicon strip detectors. Neutron excitations in the 2f7/2, 3p3/2, 3p1/2 and 2f5/2 orbitals were populated.

  4. Texture and structure analysis of metagabbro by neutron diffraction

    Czech Academy of Sciences Publication Activity Database

    Kalvoda, L.; Vratislav, S.; Dlouhá, M.; Krůželová, M.; Machek, Matěj

    2012-01-01

    Roč. 340, č. 1 (2012), 012107/1-012107/6 ISSN 1742-6588. [European Conference on Neutron Scattering (ECNS)/5./. Prague, 17.07.2011-21.07.2011] R&D Projects: GA ČR GA205/08/0767 Institutional research plan: CEZ:AV0Z30120515 Keywords : neutron diffraction method * metagabbro * Bohemian Massif Subject RIV: DB - Geology ; Mineralogy

  5. Neutron scattering and diffraction instrument for structural study on biology in Japan

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    1994-01-01

    Neutron scattering and diffraction instruments in Japan which can be used for structural studies in biology are briefly introduced. Main specifications and general layouts of the instruments are shown

  6. Estructura de la materia en las estrellas de neutrones (Structure of matter in neutron stars)

    OpenAIRE

    Moreno Navarro, Gaspar

    2011-01-01

    Los modelos actuales de la estructura y composición de la materia en las estrellas de neutrones son complejos pues requieren predecir los datos astrofísicos (masa, radio, parámetros de Kepler en sistema binarios, perfil de las señales de su espectro, etc.) a partir de la ecuación de estado de la materia comprimida. Tras repasar los aspectos más relevantes de la estructura de la materia en las estrellas de neutrones, se describen 2 resultados originales: (1) Un Test observacional para co...

  7. Investigating Structure and Dynamics of Proteins in Amorphous Phases Using Neutron Scattering

    Directory of Open Access Journals (Sweden)

    Maria Monica Castellanos

    Full Text Available In order to increase shelf life and minimize aggregation during storage, many biotherapeutic drugs are formulated and stored as either frozen solutions or lyophilized powders. However, characterizing amorphous solids can be challenging with the commonly available set of biophysical measurements used for proteins in liquid solutions. Therefore, some questions remain regarding the structure of the active pharmaceutical ingredient during freezing and drying of the drug product and the molecular role of excipients. Neutron scattering is a powerful technique to study structure and dynamics of a variety of systems in both solid and liquid phases. Moreover, neutron scattering experiments can generally be correlated with theory and molecular simulations to analyze experimental data. In this article, we focus on the use of neutron techniques to address problems of biotechnological interest. We describe the use of small-angle neutron scattering to study the solution structure of biological molecules and the packing arrangement in amorphous phases, that is, frozen glasses and freeze-dried protein powders. In addition, we discuss the use of neutron spectroscopy to measure the dynamics of glassy systems at different time and length scales. Overall, we expect that the present article will guide and prompt the use of neutron scattering to provide unique insights on many of the outstanding questions in biotechnology. Keywords: Neutron scattering, Protein structure, Protein dynamics, Freeze-dried proteins, Glasses, Frozen protein solutions, Molecular dynamics

  8. Structure and dynamics of CdTe studied by X-ray and neutron scattering

    Science.gov (United States)

    Stone, Matthew; Niedziela, Jennifer

    2015-03-01

    We present x-ray diffraction and inelastic neutron scattering studies of the structure and lattice dynamics of commercially available cadmium telluride. We also present complementary density functional theory calculations. The x-ray data show a subtle structural transition is present near 80 K, which manifests also in the measured phonon density of states. Refinement of the structure above and below the transition temperature shows no change to the long-range ordered structure. The inelastic neutron scattering studies were performed using an isotopically un-enriched sample of CdTe, which possesses a high cross section for thermal neutron absorption. The neutron portion of the study was performed with a thin-plate geometry in the reflection condition at the ARCS instrument at the SNS, showing the high flux of the instrument makes possible lattice dynamics studies of materials with high thermal neutron absorption. Single crystal and powder inelastic neutron scattering measurements will be presented. Current interpretation of the nature of the transition and future studies will be discussed. This research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.

  9. Deciphering the "Fuzzy" Interaction of FG Nucleoporins and Transport Factors Using Small-Angle Neutron Scattering.

    Science.gov (United States)

    Sparks, Samuel; Temel, Deniz B; Rout, Michael P; Cowburn, David

    2018-03-06

    The largely intrinsically disordered phenylalanine-glycine-rich nucleoporins (FG Nups) underline a selectivity mechanism that enables the rapid translocation of transport factors (TFs) through the nuclear pore complexes (NPCs). Conflicting models of NPC transport have assumed that FG Nups undergo different conformational transitions upon interacting with TFs. To selectively characterize conformational changes in FG Nups induced by TFs we performed small-angle neutron scattering (SANS) with contrast matching. Conformational-ensembles derived from SANS data indicated an increase in the overall size of FG Nups is associated with TF interaction. Moreover, the organization of the FG motif in the interacting state is consistent with prior experimental analyses defining that FG motifs undergo conformational restriction upon interacting with TFs. These results provide structural insights into a highly dynamic interaction and illustrate how functional disorder imparts rapid and selective FG Nup-TF interactions. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Structure of Ni60Nb40 metallic glass studied by combined X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Forgacs, F.; Svab, E.; Takacs, J.; Hajdu, F.

    1980-10-01

    The partial structure factors S(Q)sub(NiNi), S(Q)sub(NiNb) and S(Q)sub(NbNb) were determined for rapidly quenched Ni 60 Nb 40 metallic glass samples by combined X-ray and neutron diffraction experiments, the latter on isotope substituted samples. The partial distribution functions were calculated. Details are given on interatomic distances and coordination numbers for Ni-Ni, Ni-Nb and Nb-Nb pairs. (author)

  11. Neutron Buildup Factors Calculation for Support Vector Regression Application in Shielding Analysis

    International Nuclear Information System (INIS)

    Duckic, P.; Matijevic, M.; Grgic, D.

    2016-01-01

    In this paper initial set of data for neutron buildup factors determination using Support Vector Regression (SVR) method is prepared. The performance of SVR technique strongly depends on the quality of information used for model training. Thus it is very important to provide representable data to the SVR. SVR is a supervised type of learning so it demands data in the input/output form. In the case of neutron buildup factors estimation, the input parameters are the incident neutron energy, shielding thickness and shielding material and the output parameter is the neutron buildup factor value. So far the initial sets of data for different shielding configurations have been obtained using SCALE4.4 sequence SAS3. However, this results were obtained using group constants, thus the incident neutron energy was determined as the average value for each energy group. Obtained this way, the data provided to the SVR are fewer and therefore insufficient. More valuable information is obtained using SCALE6.2beta5 sequence MAVRIC which can perform calculations for the explicit incident neutron energy, which leads to greater maneuvering possibilities when active learning measures are employed, and consequently improves the quality of the developed SVR model.(author).

  12. Refinement of macromolecular structures against neutron data withSHELXL2013.

    Science.gov (United States)

    Gruene, Tim; Hahn, Hinrich W; Luebben, Anna V; Meilleur, Flora; Sheldrick, George M

    2014-02-01

    Some of the improvements in SHELX2013 make SHELXL convenient to use for refinement of macromolecular structures against neutron data without the support of X-ray data. The new NEUT instruction adjusts the behaviour of the SFAC instruction as well as the default bond lengths of the AFIX instructions. This work presents a protocol on how to use SHELXL for refinement of protein structures against neutron data. It includes restraints extending the Engh & Huber [ Acta Cryst. (1991), A 47 , 392-400] restraints to H atoms and discusses several of the features of SHELXL that make the program particularly useful for the investigation of H atoms with neutron diffraction. SHELXL2013 is already adequate for the refinement of small molecules against neutron data, but there is still room for improvement, like the introduction of chain IDs for the refinement of macromolecular structures.

  13. Comparison of Deadtime Correction Factors for Passive Neutron Multiplicity Counting of Correlated and Non-Correlated Neutron Sources

    International Nuclear Information System (INIS)

    Evans, L.G.; Norman, P.I.; Croft, S.; Menaa, N.

    2009-01-01

    Traditional deadtime correction methods for Passive Neutron Multiplicity Counting (PNMC) have been found to be potentially accuracy limiting at high average (or sustained) count rates and in the case where highly correlated rates occur over a short coincidence gate width (high instantaneous rates associated with high multiplicity bursts). It is costly to retrofit new hardware to existing assay systems to reduce the effects of deadtime, thus it is advantageous to develop and implement new deadtime correction algorithms as an alternative approach to ameliorate this problem. Future counter designs trend towards higher efficiencies and shorter die-away times and hence these designs will also present the need for improved deadtime treatments as they will get applied to more demanding applications. For these reasons, deadtime correction techniques for PNMC are currently being re-visited by both the waste characterisation and safeguards communities in the nuclear industry. A Monte Carlo approach has been established to simulate deadtime behaviour in PNMC systems and applied to this long standing problem. The form of the deadtime correction factor has been investigated for non-correlated (e.g. AmLi) neutron sources and will be extended to correlated (e.g. Cf-252) neutron sources. This paper addresses the practical correction method in each case. The aim of this work has been to aid research into the development of an improved and unified approach to deadtime correction for different multiplicity distributions. Simulation provides a convenient means to examine the range of applicability of current analytical models. (authors)

  14. Neutron Absorbing Ability Variation in Neutron Absorbing Material Caused by the Neutron Irradiation in Spent Fuel Storage Facility

    International Nuclear Information System (INIS)

    Sohn, Hee Dong; Han, Seul Gi; Lee, Sang Dong; Kim, Ki Hong; Ryu, Eag Hyang; Park, Hwa Gyu

    2014-01-01

    In spent fuel storage facility like high density spent fuel storage racks and dry storage casks, spent fuels are stored with neutron absorbing materials installed as a part of those facilities, and they are used for absorbing neutrons emitted from spent fuels. Usually structural material with neutron absorbing material of racks and casks are located around spent fuels, so it is irradiated by neutrons for long time. Neutron absorbing ability could be changed by the variation of nuclide composition in neutron absorbing material caused by the irradiation of neutrons. So, neutron absorbing materials are continuously faced with spent fuels with boric acid solution or inert gas environment. Major nuclides in neutron absorbing material are Al 27 , C 12 , B 11 , B 10 and they are changed to numerous other ones as radioactive decay or neutron absorption reaction. The B 10 content in neutron absorbing material dominates the neutron absorbing ability, so, the variation of nuclide composition including the decrease of B 10 content is the critical factor on neutron absorbing ability. In this study, neutron flux in spent fuel, the activation of neutron absorbing material and the variation of nuclide composition are calculated. And, the minimum neutron flux causing the decrease of B 10 content is calculated in spent fuel storage facility. Finally, the variation of neutron multiplication factor is identified according to the one of B 10 content in neutron absorbing material. The minimum neutron flux to impact the neutron absorbing ability is 10 10 order, however, usual neutron flux from spent fuel is 10 8 order. Therefore, even though neutron absorbing material is irradiated for over 40 years, B 10 content is little decreased, so, initial neutron absorbing ability could be kept continuously

  15. Investigation of ferromagnetic domain structures by neutron small angle scattering

    International Nuclear Information System (INIS)

    Schild, L.

    1984-01-01

    The magnetic small angle scattering of thermal neutrons caused by magnetic refraction at domain walls of ferromagnetic materials without texture has been investigated. Experiments on Fe-Si alloys with a twin crystal diffractometer were carried out. It is shown that the mean extension of magnetic basic units (domains as well as parallel wall systems) can be determined. A comparison of grain sizes determined metallographically with domain sizes obtained by neutron small-angle scattering has shown that neither mean grain size nor domain size can be assessed by small-angle scattering experiments

  16. A comparison between the Structural Results obtained by X-ray Single Crystal Data and by Neutron Powder Data for BaVs/sb3/

    International Nuclear Information System (INIS)

    Marezio, M.

    1986-01-01

    The structure of BaVs/sb3/, as refined from X-ray single-crystal data to an R factor of 0.011, is compared to the structure of the same compound obtained from neutron powder data (Rsb(ro) = 6.82, Rsb(psilon) = 4.09). As expected, the X-ray standard deviations of the positional and thermal parameters are smaller than the corresponding neutron standard deviations. However, the dynamical disorder deduced from the anomalously large thermal vibrations of the vanadium atoms obtained from the X-ray data is also evidenced by the neutron refinement. On the other hand, the neutron standard deviations of the lattice parameters are smaller than the X-ray counterparts

  17. Neutron irradiation effects in fusion or spallation structural materials: Some recent insights related to neutron spectra

    International Nuclear Information System (INIS)

    Garner, F.A.; Greenwood, L.R.

    1998-01-01

    A review is presented of recent insights on the role of transmutation in the development of radiation-induced changes in dimension or radiation-induced changes in physical or mechanical properties. It is shown that, in some materials and some neutron spectra, transmutation can significantly affect or even dominate a given property change process. When the process under study is also sensitive to displacement rate, and especially if it involves radiation-induced segregation and precipitation, it becomes much more difficult to separate the transmutation and displacement rate dependencies. This complicates the application of data derived from 'surrogate' spectra to predictions in other flux-spectra environments. It is also shown in this paper that one must be sensitive to the impact of previously -ignored 'small' variations in neutron spectra within a given reactor. In some materials these small variations have major consequences. (author)

  18. Tissue Factor Structure and Function

    Directory of Open Access Journals (Sweden)

    Saulius Butenas

    2012-01-01

    Full Text Available Tissue factor (TF is an integral membrane protein that is essential to life. It is a component of the factor VIIa-TF complex enzyme and plays a primary role in both normal hemostasis and thrombosis. With a vascular injury, TF becomes exposed to blood and binds plasma factor VIIa, and the resulting complex initiates a series of enzymatic reactions leading to clot formation and vascular sealing. Many cells, both healthy, and tumor cells, produce detectable amounts of TF, especially when they are stimulated by various agents. Despite the relative simplicity and small size of TF, there are numerous contradictory reports about the synthesis and presentation of TF on blood cells and circulation in normal blood either on microparticles or as a soluble protein. Another subject of controversy is related to the structure/function of TF. It has been almost commonly accepted that cell-surface-associated TF has low (if any activity, that is, is “encrypted” and requires specific conditions/reagents to become active, that is, “decrypted.” However there is a lack of agreement related to the mechanism and processes leading to alterations in TF function. In this paper TF structure, presentation, and function, and controversies concerning these features are discussed.

  19. Neutron diffraction study of the magnetic structure of HoCu2

    DEFF Research Database (Denmark)

    Smetana, Z.; Sima, V.; Lebech, Bente

    1986-01-01

    Neutron diffraction measurements show that in the temperature range from 7.4 to TN=10.4 K the magnetic structure of HoCu2 is a commensurably modulated a-axis collinear structure with a wave vector q1=1/3a*. Below 7.4 K an additional structure component develops and the low temperature magnetic...

  20. Complementarity of real-time neutron and synchrotron radiation structural investigations in molecular biology

    International Nuclear Information System (INIS)

    Aksenov, V. L.; Kiselev, M. A.

    2010-01-01

    General problems of the complementarity of different physical methods and specific features of the interaction between neutron and matter and neutron diffraction with respect to the time of flight are discussed. The results of studying the kinetics of structural changes in lipid membranes under hydration and self-assembly of the lipid bilayer in the presence of a detergent are reported. The possibilities of the complementarity of neutron diffraction and X-ray synchrotron radiation and developing a free-electron laser are noted.

  1. Complementarity of real-time neutron and synchrotron radiation structural investigations in molecular biology

    Science.gov (United States)

    Aksenov, V. L.; Kiselev, M. A.

    2010-12-01

    General problems of the complementarity of different physical methods and specific features of the interaction between neutron and matter and neutron diffraction with respect to the time of flight are discussed. The results of studying the kinetics of structural changes in lipid membranes under hydration and self-assembly of the lipid bilayer in the presence of a detergent are reported. The possibilities of the complementarity of neutron diffraction and X-ray synchrotron radiation and developing a free-electron laser are noted.

  2. Neutron spectroscopic factors of 34Ar and 46Ar from (p,d) transfer reactions

    International Nuclear Information System (INIS)

    Lee, Jenny; Tsang, M.B.; Bazin, D.; Coupland, D.; Henzl, V.; Henzlova, D.; Kilburn, M.; Lynch, W. G.; Rogers, A. M.; Sanetullaev, A.; Youngs, M.; Sun, Z. Y.; Charity, R. J.; Sobotka, L. G.; Famiano, M.; Hudan, S.; Shapira, D.; O'Malley, P.; Peters, W. A.; Chae, K. Y.

    2011-01-01

    Single-neutron-transfer measurements using (p,d) reactions have been performed at 33 MeV per nucleon with proton-rich 34 Ar and neutron-rich 46 Ar beams in inverse kinematics. The extracted spectroscopic factors are compared to the large-basis shell-model calculations. Relatively weak quenching of the spectroscopic factors is observed between 34 Ar and 46 Ar. The experimental results suggest that neutron correlations have a weak dependence on the asymmetry of the nucleus over this isotopic region. The present results are consistent with the systematics established from extensive studies of spectroscopic factors and dispersive optical-model analyses of 40-49 Ca isotopes. They are, however, inconsistent with the trends obtained in knockout-reaction measurements.

  3. Numerical Simulations of Pillar Structured Solid State Thermal Neutron Detector Efficiency and Gamma Discrimination

    Energy Technology Data Exchange (ETDEWEB)

    Conway, A; Wang, T; Deo, N; Cheung, C; Nikolic, R

    2008-06-24

    This work reports numerical simulations of a novel three-dimensionally integrated, {sup 10}boron ({sup 10}B) and silicon p+, intrinsic, n+ (PIN) diode micropillar array for thermal neutron detection. The inter-digitated device structure has a high probability of interaction between the Si PIN pillars and the charged particles (alpha and {sup 7}Li) created from the neutron - {sup 10}B reaction. In this work, the effect of both the 3-D geometry (including pillar diameter, separation and height) and energy loss mechanisms are investigated via simulations to predict the neutron detection efficiency and gamma discrimination of this structure. The simulation results are demonstrated to compare well with the measurement results. This indicates that upon scaling the pillar height, a high efficiency thermal neutron detector is possible.

  4. Nuclear structure effects on calculated fast neutron reaction cross sections

    International Nuclear Information System (INIS)

    Avrigeanu, V.

    1992-01-01

    The importance of accurate low-lying level schemes for reaction cross section calculation and need for microscopically calculated levels are proved with reference to fast neutron induced reactions in the A = 50 atomic mass range. The uses of the discrete levels both for normalization of phenomenological level density approaches and within Hauser-Feshbach calculations are discussed in this respect. (Author)

  5. Small-angle neutron scattering study of structural evolution of ...

    Indian Academy of Sciences (India)

    Small-angle neutron scattering; biological macromolecules; protein solution. PACS Nos 61.12.Ex; 87.14.Ee; 87.15.Nn. Biological macromolecules such as proteins possess a specific shape and charge, which regulate and ... Figure 1a shows the phase diagram of crystallization of 1 wt% lysozyme protein solution as a ...

  6. Structure of molten TbCl sub 3 measured by neutron diffraction

    CERN Document Server

    Martin, R A; Barnes, A C; Cuello, G J

    2002-01-01

    The total structure factor of molten TbCl sub 3 at 617 deg. C was measured by using neutron diffraction. The data are in agreement with results from previous experimental work but the use of a diffractometer having an extended reciprocal-space measurement window leads to improved resolution in real space. Significant discrepancies with the results obtained from recent molecular dynamics simulations carried out using a polarizable ion model, in which the interaction potentials were optimized to enhance agreement with previous diffraction data, are thereby highlighted. It is hence shown that there is considerable scope for the development of this model for TbCl sub 3 and for other trivalent metal halide systems spanning a wide range of ion size ratios. (letter to the editor)

  7. Structure analysis of K3H(SO4)2 by neutron powder diffraction

    International Nuclear Information System (INIS)

    Murakami, Satoshi; Kuroiwa, Yoshihiro; Noda, Yukio; Nakai, Yusuke; Kamiyama, Takashi; Asano, Hajime.

    1993-01-01

    Neutron powder diffraction experiments of K 3 H(SO 4 ) 2 were carried out at KENS-HRP station in order to obtain the positional parameters of hydrogen nuclei. The data was taken at six different temperatures from room temperature to 20K. Even though K 3 H(SO 4 ) 2 contained a hydrogen atom, the structural analysis was successfully performed by using a program RIETAN. Concerning the hydrogen position, four different models give almost the same R-factor so that the state of the hydrogen nucleus is not uniquely determined. The result based on the assumption that a hydrogen nucleus occupies two sites shows that the distance of split hydrogen nuclei is shorter than the distance of hydrogen electron clouds. This result suggests that a large polarizability exists in a hydrogen atom. (author)

  8. Structural characterisation of subcritical carbon dioxide confined in nanoporous carbon by in situ neutron diffraction

    International Nuclear Information System (INIS)

    Katsaros, F K; Steriotis, Th A; Stefanopoulos, K L; Kanellopoulos, N K; Hannon, A C; Ramsay, J D F

    2012-01-01

    In situ neutron diffraction measurements of adsorbed carbon dioxide in an ordered mesoporous carbon (CMK-1) have been carried out along an isotherm at 253 K and at a range of pressures up to 18 bar. The experiment has been performed with the aid of a novel high-pressure adsorption apparatus and the GEM diffractometer (ISIS, Rutherford Appleton Laboratory, UK). Diffraction measurements of bulk liquid carbon dioxide have also been carried out. The structure factors and the total differential correlation functions of the adsorbed carbon dioxide suggest that the confined fluid has liquid-like properties at all thermodynamic states studied; however, some subtle differences were observed pointing to enhanced adsorption because of the presence of micropores.

  9. Group constant preparation for the estimate of neutron induced damage in structural materials

    International Nuclear Information System (INIS)

    Panini, G.C.

    1996-01-01

    Neutron heating (kerma), displacement per atom cross sections (DPA), gas and γ-ray production are important parameters for the estimate of the damage produced by neutron induced nuclear reactions in the structural materials. The NJOY System for Nuclear Data Processing has been extensively used in order to compute the above quantities; here the theory, the algorithms and the connected problems are described. (author). 6 refs, 3 tabs

  10. Calculation of self–shielding factor for neutron activation experiments using GEANT4 and MCNP

    Energy Technology Data Exchange (ETDEWEB)

    Romero–Barrientos, Jaime, E-mail: jaromero@ing.uchile.cl [Comisión Chilena de Energía Nuclear, Nueva Bilbao 12501, Las Condes, Santiago (Chile); Universidad de Chile, DFI, Facultad de Ciencias Físicas Y Matemáticas, Avenida Blanco Encalada 2008, Santiago (Chile); Molina, F. [Comisión Chilena de Energía Nuclear, Nueva Bilbao 12501, Las Condes, Santiago (Chile); Aguilera, Pablo [Comisión Chilena de Energía Nuclear, Nueva Bilbao 12501, Las Condes, Santiago (Chile); Universidad de Chile, Depto. de Física, Facultad de Ciencias, Las Palmeras 3425, Ñuñoa, Santiago (Chile); Arellano, H. F. [Universidad de Chile, DFI, Facultad de Ciencias Físicas Y Matemáticas, Avenida Blanco Encalada 2008, Santiago (Chile)

    2016-07-07

    The neutron self–shielding factor G as a function of the neutron energy was obtained for 14 pure metallic samples in 1000 isolethargic energy bins from 1·10{sup −5}eV to 2·10{sup 7}eV using Monte Carlo simulations in GEANT4 and MCNP6. The comparison of these two Monte Carlo codes shows small differences in the final self–shielding factor mostly due to the different cross section databases that each program uses.

  11. The structure factor of primes

    Science.gov (United States)

    Zhang, G.; Martelli, F.; Torquato, S.

    2018-03-01

    Although the prime numbers are deterministic, they can be viewed, by some measures, as pseudo-random numbers. In this article, we numerically study the pair statistics of the primes using statistical-mechanical methods, particularly the structure factor S(k) in an interval M ≤slant p ≤slant M + L with M large, and L/M smaller than unity. We show that the structure factor of the prime-number configurations in such intervals exhibits well-defined Bragg-like peaks along with a small ‘diffuse’ contribution. This indicates that primes are appreciably more correlated and ordered than previously thought. Our numerical results definitively suggest an explicit formula for the locations and heights of the peaks. This formula predicts infinitely many peaks in any non-zero interval, similar to the behavior of quasicrystals. However, primes differ from quasicrystals in that the ratio between the location of any two predicted peaks is rational. We also show numerically that the diffuse part decays slowly as M and L increases. This suggests that the diffuse part vanishes in an appropriate infinite-system-size limit.

  12. Spectral correction factors for conventional neutron dose meters used in high-energy neutron environments improved and extended results based on a complete survey of all neutron spectra in IAEA-TRS-403

    International Nuclear Information System (INIS)

    Oparaji, U.; Tsai, Y. H.; Liu, Y. C.; Lee, K. W.; Patelli, E.; Sheu, R. J.

    2017-01-01

    This paper presents improved and extended results of our previous study on corrections for conventional neutron dose meters used in environments with high-energy neutrons (E n > 10 MeV). Conventional moderated-type neutron dose meters tend to underestimate the dose contribution of high-energy neutrons because of the opposite trends of dose conversion coefficients and detection efficiencies as the neutron energy increases. A practical correction scheme was proposed based on analysis of hundreds of neutron spectra in the IAEA-TRS-403 report. By comparing 252 Cf-calibrated dose responses with reference values derived from fluence-to-dose conversion coefficients, this study provides recommendations for neutron field characterization and the corresponding dose correction factors. Further sensitivity studies confirm the appropriateness of the proposed scheme and indicate that (1) the spectral correction factors are nearly independent of the selection of three commonly used calibration sources: 252 Cf, 241 Am-Be and 239 Pu-Be; (2) the derived correction factors for Bonner spheres of various sizes (6''-9'') are similar in trend and (3) practical high-energy neutron indexes based on measurements can be established to facilitate the application of these correction factors in workplaces. (authors)

  13. A NEW METHOD FOR EXTRACTING SPIN-DEPENDENT NEUTRON STRUCTURE FUNCTIONS FROM NUCLEAR DATA

    Energy Technology Data Exchange (ETDEWEB)

    Kahn, Y.F.; Melnitchouk, W.

    2009-01-01

    High-energy electrons are currently the best probes of the internal structure of nucleons (protons and neutrons). By collecting data on electrons scattering off light nuclei, such as deuterium and helium, one can extract structure functions (SFs), which encode information about the quarks that make up the nucleon. Spin-dependent SFs, which depend on the relative polarization of the electron beam and the target nucleus, encode quark spins. Proton SFs can be measured directly from electron-proton scattering, but those of the neutron must be extracted from proton data and deuterium or helium-3 data because free neutron targets do not exist. At present, there is no reliable method for accurately determining spin-dependent neutron SFs in the low-momentum-transfer regime, where nucleon resonances are prominent and the functions are not smooth. The focus of this study was to develop a new method for extracting spin-dependent neutron SFs from nuclear data. An approximate convolution formula for nuclear SFs reduces the problem to an integral equation, for which a recursive solution method was designed. The method was then applied to recent data from proton and deuterium scattering experiments to perform a preliminary extraction of spin-dependent neutron SFs in the resonance region. The extraction method was found to reliably converge for arbitrary test functions, and the validity of the extraction from data was verifi ed using a Bjorken integral, which relates integrals of SFs to a known quantity. This new information on neutron structure could be used to assess quark-hadron duality for the neutron, which requires detailed knowledge of SFs in all kinematic regimes.

  14. Feasibility evaluation of a neutron grating interferometer with an analyzer grating based on a structured scintillator

    Science.gov (United States)

    Kim, Youngju; Kim, Jongyul; Kim, Daeseung; Hussey, Daniel. S.; Lee, Seung Wook

    2018-03-01

    We introduce an analyzer grating based on a structured scintillator fabricated by a gadolinium oxysulfide powder filling method for a symmetric Talbot-Lau neutron grating interferometer. This is an alternative way to analyze the Talbot self-image of a grating interferometer without using an absorption grating to block neutrons. Since the structured scintillator analyzer grating itself generates the signal for neutron detection, we do not need an additional scintillator screen as an absorption analyzer grating. We have developed and tested an analyzer grating based on a structured scintillator in our symmetric Talbot-Lau neutron grating interferometer to produce high fidelity absorption, differential phase, and dark-field contrast images. The acquired images have been compared to results of a grating interferometer utilizing a typical absorption analyzer grating with two commercial scintillation screens. The analyzer grating based on the structured scintillator enhances interference fringe visibility and shows a great potential for economical fabrication, compact system design, and so on. We report the performance of the analyzer grating based on a structured scintillator and evaluate its feasibility for the neutron grating interferometer.

  15. Neutron Star Structure in the Presence of Conformally Coupled Scalar Fields

    Science.gov (United States)

    Sultana, Joseph; Bose, Benjamin; Kazanas, Demosthenes

    2014-01-01

    Neutron star models are studied in the context of scalar-tensor theories of gravity in the presence of a conformally coupled scalar field, using two different numerical equations of state (EoS) representing different degrees of stiffness. In both cases we obtain a complete solution by matching the interior numerical solution of the coupled Einstein-scalar field hydrostatic equations, with an exact metric on the surface of the star. These are then used to find the effect of the scalar field and its coupling to geometry, on the neutron star structure, particularly the maximum neutron star mass and radius. We show that in the presence of a conformally coupled scalar field, neutron stars are less dense and have smaller masses and radii than their counterparts in the minimally coupled case, and the effect increases with the magnitude of the scalar field at the center of the star.

  16. Time structure of charge signals and noise studies of GaAs detectors irradiated by neutrons and protons

    International Nuclear Information System (INIS)

    Braunschweig, W.; Chu, Z.H.; Karpinski, W.; Kubicki, Th.; Lubelsmeyer, K.; Rente, C.; Syben, O.; Tenbusch, F.; Toporowsky, M.; Wittmer, B.; Xiao, W.J.

    1996-01-01

    Semiconductor detectors processed in Aachen using Si GaAs from different manufactures have been irradiated with neutrons (peak energy ∼ 1 MeV) up to 4.0·10 14 n/cm 2 and protons (energy 24 GeV) up to 8.2·10 13 p/cm 2 . All detectors work well after the exposure. The leakage current density at 200 V of detectors made of AXT material increases by a factor of four after the highest neutron fluence and a factor of three after the maximal proton fluence. For the FEW-LC material the leakage current decreases significantly after irradiation. No significant difference can be observed between biased and non-biased detectors during the exposure to neutrons. The equivalent noise charged (ENC) calculated from the noise density spectra agrees well with that extracted from the pedestal width for the different neutron and proton fluences. Before irradiation the charge signals for minimum ionizing particles (MIPs) increase with the peaking time in the range of 40 ns to 2 μs, while this dependence cannot be observed after the exposure to neutrons or protons. The reason for this behaviour is the different time structure of the charge signals before and after irradiation. For AXT material the charge signals for MIPs correspond to 7100 electrons after 4.0·10 14 n/cm 2 and of 4300 electrons after 8.2·10 13 p/cm 2 are obtained. For FEW-LC material the signals at 200 V are reduced from 15700 electrons before irradiation to 6000 electrons after 8.2·10 13 p/cm 2 for this peaking time

  17. Stress analysis of the modified Pulsed Neutron Activation system downstream shield support structure

    Energy Technology Data Exchange (ETDEWEB)

    Mosby, W.R.

    1980-05-28

    The modified LOFT Pulsed Neutron Activation (PNA) System downstream shielding support structure was stress analyzed for deadweight and worst-case LOCE loads. No deficiencies were found in the structure. This stress analysis was performed for the PNA Shielding Configuration that has been used on Test L3-2 and that is to be used on Test L3-7.

  18. Long life neutron generator target using deuterium pass-through structure

    Science.gov (United States)

    Alger, D. L.

    1974-01-01

    Target structure permits all deuterons, except the one-in-a-million that interacts with tritium atom to produce a neutron, to pass completely through target structure and be returned to vacuum system. Since tritium atoms are not displaced as in conventional targets, tritium population will remain unchanged while under deuteron bombardment.

  19. Time factor of BSH from intravenous infusion to neutron irradiation for BNCT in patients with glioblastoma

    International Nuclear Information System (INIS)

    Kageji, T.; Nagahiro, S.; Kitamura, K.; Nakagawa, Y.; Hatanaka, H.; Haritz, D.; Grochulla, F.; Haselsberger, K.; Gabel, D.

    2000-01-01

    The present report evaluates the time factor of BSH from infusion to irradiation in patients with glioblastoma as a cooperative study in Europe and Japan. For BNCT with BSH after intravenous infusion, this work confirms that the planned neutron irradiation after intravenous BSH infusion appears to be optimal around 12-19 hours after the infusion. (author)

  20. Invisible detergents for structure determination of membrane proteins by small-angle neutron scattering.

    Science.gov (United States)

    Midtgaard, Søren Roi; Darwish, Tamim A; Pedersen, Martin Cramer; Huda, Pie; Larsen, Andreas Haahr; Jensen, Grethe Vestergaard; Kynde, Søren Andreas Røssell; Skar-Gislinge, Nicholas; Nielsen, Agnieszka Janina Zygadlo; Olesen, Claus; Blaise, Mickael; Dorosz, Jerzy Józef; Thorsen, Thor Seneca; Venskutonytė, Raminta; Krintel, Christian; Møller, Jesper V; Frielinghaus, Henrich; Gilbert, Elliot Paul; Martel, Anne; Kastrup, Jette Sandholm; Jensen, Poul Erik; Nissen, Poul; Arleth, Lise

    2018-01-01

    A novel and generally applicable method for determining structures of membrane proteins in solution via small-angle neutron scattering (SANS) is presented. Common detergents for solubilizing membrane proteins were synthesized in isotope-substituted versions for utilizing the intrinsic neutron scattering length difference between hydrogen and deuterium. Individual hydrogen/deuterium levels of the detergent head and tail groups were achieved such that the formed micelles became effectively invisible in heavy water (D 2 O) when investigated by neutrons. This way, only the signal from the membrane protein remained in the SANS data. We demonstrate that the method is not only generally applicable on five very different membrane proteins but also reveals subtle structural details about the sarco/endoplasmatic reticulum Ca 2+ ATPase (SERCA). In all, the synthesis of isotope-substituted detergents makes solution structure determination of membrane proteins by SANS and subsequent data analysis available to nonspecialists. © 2017 Federation of European Biochemical Societies.

  1. Neutronic analysis of JET external neutron monitor response

    Energy Technology Data Exchange (ETDEWEB)

    Snoj, Luka, E-mail: luka.snoj@ijs.si [Reactor Physics Division, Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia); Lengar, Igor; Čufar, Aljaž [Reactor Physics Division, Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia); Syme, Brian; Popovichev, Sergey [Culham Centre for Fusion Energy, Culham Science Centre, Abingdon, OX14 3DB, United Kingdom (United Kingdom); Batistoni, Paola [ENEA C. R. Frascati, via E. Fermi 45, 00044 Frascati, Roma (Italy); Conroy, Sean [VR Association, Uppsala University, Department of Physics and Astronomy, PO Box 516, SE-75120 Uppsala (Sweden)

    2016-11-01

    Highlights: • We model JET tokamak containing JET remote handling system. • We investigate effect of remote handling system on external neutron monitor response. • Remote handling system correction factors are calculated. • Integral correction factors are relatively small, i.e up to 8%. - Abstract: The power output of fusion devices is measured in terms of the neutron yield which relates directly to the fusion yield. JET made a transition from Carbon wall to ITER-Like Wall (Beryllium/Tungsten/Carbon) during 2010–11. Absolutely calibrated measurement of the neutron yield by JET neutron monitors was ensured by direct measurements using a calibrated {sup 252}Cf neutron source (NS) deployed by the in-vessel remote handling system (RHS) inside the JET vacuum vessel. Neutronic calculations were required in order to understand the neutron transport from the source in the vacuum vessel to the fission chamber detectors mounted outside the vessel on the transformer limbs of the tokamak. We developed a simplified computational model of JET and the JET RHS in Monte Carlo neutron transport code MCNP and analyzed the paths and structures through which neutrons reach the detectors and the effect of the JET RHS on the neutron monitor response. In addition we performed several sensitivity studies of the effect of substantial massive structures blocking the ports on the external neutron monitor response. As the simplified model provided a qualitative picture of the process only, some calculations were repeated using a more detailed full 3D model of the JET tokamak.

  2. Partial structure factors in star polymer/colloid mixtures

    CERN Document Server

    Stellbrink, J; Richter, D; Moussaid, A; Schofield, A B; Poon, W C K; Pusey, P N; Lindner, P; Dzubiella, J; Likos, C N; Löwen, H

    2002-01-01

    Addition of polymer to colloidal suspensions induces an attractive part to the colloid pair potential, which is of purely entropic origin (''depletion interaction''). We investigated the influence of polymer branching on depletion forces by studying mixtures of hard sphere colloids and star polymers with increasing arm number f=2-32, but constant R sub g approx 500 A. We found a pronounced effect of branching on the position of the gas/liquid demixing transition. Using small angle neutron scattering (SANS) we were able to measure partial structure factors in star polymer/colloid mixtures. The relative distance to the demixing transition is reflected in our scattering data. (orig.)

  3. Structure and Dynamics on Superionic Conducting Phosphate Glasses By Neutron Scattering

    International Nuclear Information System (INIS)

    Kartini, E.; Kennedy, S.J.; Itoh, K.; Arai, M.; Mezei, F.; Nakamura, M.

    2005-01-01

    Full text: A series of Neutron Diffraction and Inelastic scattering experiments have been performed on superionic conducting phosphate glasses, MX-MPO 3 (M=Ag; X=I,S) and AgI-Ag 2 S-AgPO 3 . These materials are used for solid state battery, due to high conductivity up to 10 -2 S.cm -1 at ambient temperature. The conductivity of the insulator glass AgPO 3 ∼ 10 -7 S.cm -1 . Interestingly, the structure factor S(Q) exhibits a prepeak at very low Q∼0.7 Aangstroem -1 related to the IRO ∼ 10-12 Aangstroem and the Radial Distribution Function gives an extra peak ∼ 2.8 Aangstroem -1 that corresponds to Ag-I correlation. The dynamic structure factor S(Q,ω), shows a Boson peak at low energy ∼ 2.5 meV that increases with composition and temperature. These behaviors seem to be universal for the AgI doped glasses, but the origin remains not well understood. Increasing mobility of the Ag ions, due to expansion of the phosphate network plays a dominant role on raising the ionic conductivity, prepeak and Boson peak. (authors)

  4. Neutron powder diffraction study of Ba3ZnRu2-xIrxO9 (x=0, 1, 2) with 6H-type perovskite structure

    Czech Academy of Sciences Publication Activity Database

    Beran, Přemysl; Ivanov, S. A.; Nordblad, P.; Middey, S.; Nag, A.; Sama, D. D.; Ray, S.; Mathieu, R.

    2015-01-01

    Roč. 50, DEC (2015), s. 58-64 ISSN 1293-2558 R&D Projects: GA MŠk LM2011019 EU Projects: European Commission(XE) 283883 - NMI3-II Institutional support: RVO:61389005 Keywords : neutron diffraction * oxides * crystal structure * magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.041, year: 2015

  5. Nuclear structure for the crust of neutron stars and exotic nuclei

    International Nuclear Information System (INIS)

    Goegelein, Peter

    2007-01-01

    In this work the Skyrme Hartree-Fock and Relativistic Hartree--Fock approaches have been considered to describe the structure of nuclear systems ranging from finite nuclei, structures in the crust of neutron stars to homogeneous matter. Effects of pairing correlations and finite temperature are also taken into account. The numerical procedure in the cubic box is described for the Skyrme Hartree-Fock as well as the relativistic Hartree-Fock approach. And finally, results for the crust of neutron stars and exotic nuclei are presented and discussed. (orig.)

  6. Structure investigations on Portland cement paste by small angle neutron scattering

    International Nuclear Information System (INIS)

    Dragolici, C.A.; Lin, A.

    2004-01-01

    Hydrated Portland cement is a very complex material. Cement paste consists of many crystalline and non-crystalline phases in various ranges of sizes (μm and nm scale). The crystalline phases are embedded in amorphous phases of hydration products. We investigated the structural changes of hydrating phases in a time interval up to 18 days, at Budapest Neutron Center's SANS spectrometer. The small angle neutron scattering of Portland cements prepared with a various water-to-cement ratios, gave us information about the microstructure changes in the material. Fractals were a suitable way for structure modelling. Some comments regarding the opportunity of using the most common models are pointed out. (authors)

  7. Nuclear structure for the crust of neutron stars and exotic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Goegelein, Peter

    2007-07-01

    In this work the Skyrme Hartree-Fock and Relativistic Hartree--Fock approaches have been considered to describe the structure of nuclear systems ranging from finite nuclei, structures in the crust of neutron stars to homogeneous matter. Effects of pairing correlations and finite temperature are also taken into account. The numerical procedure in the cubic box is described for the Skyrme Hartree-Fock as well as the relativistic Hartree-Fock approach. And finally, results for the crust of neutron stars and exotic nuclei are presented and discussed. (orig.)

  8. Neutron scattering study of the antiferroquadrupolar structure and order parameter of UPd3

    DEFF Research Database (Denmark)

    McEwen, K.A.; Steigenberger, U.; Clausen, K.N.

    1995-01-01

    UPd3 exhibits phase transitions at T-1 approximate to 7 K and T-2 approximate to 5 K. Polarised-neutron diffraction measurements showed that a structural modulation with wavevector (1/2, 0, 0) takes place below T-1. A more detailed neutron-diffraction study of this phase is reported: group......-theory analysis of the results indicates that the ordered phase below T-1 is a triple-q antiferroquadrupolar structure involving Q(x2-y2), Q(xz) and Q(zz) quadrupole moments of the uranium ions....

  9. Calculation of neutron fluence-to-dose conversion factors for extremities

    International Nuclear Information System (INIS)

    Stewart, R.D.; Harty, R.; McDonald, J.C.; Tanner, J.E.

    1993-04-01

    The Pacific Northwest Laboratory is developing a standard for the performance testing of personnel extremity dosimeters for the US Department of Energy. Part of this effort requires the calculation of neutron fluence-to-dose conversion factors for finger and wrist extremities. This study focuses on conversion factors for two types of extremity models: namely the polymethyl methacrylate (PMMA) phantom (as specified in the draft standard for performance testing of extremity dosimeters) and more realistic extremity models composed of tissue-and-bone. Calculations for each type of model are based on both bare and D 2 O-moderated 252 Cf sources. The results are then tabulated and compared with whole-body conversion factors. More appropriate energy-averaged quality factors for the extremity models have also been computed from the neutron fluence in 50 equally spaced energy bins with energies from 2.53 x 10 -8 to 15 MeV. Tabulated results show that conversion factors for both types of extremity phantom are 15 to 30% lower than the corresponcung whole-body phantom conversion factors for 252 Cf neutron sources. This difference in extremity and whole-body conversion factors is attributable to the proportionally smaller amount of back-scattering that occurs in the extremity phantoms compared with whole-body phantoms

  10. Empirically testing vaterite structural models using neutron diffraction and thermal analysis.

    Science.gov (United States)

    Chakoumakos, Bryan C; Pracheil, Brenda M; Koenigs, Ryan P; Bruch, Ronald M; Feygenson, Mikhail

    2016-11-18

    Otoliths, calcium carbonate (CaCO 3 ) ear bones, are among the most commonly used age and growth structures of fishes. Most fish otoliths are comprised of the most dense CaCO 3 polymorph, aragonite. Sturgeon otoliths, in contrast, have been characterized as the rare and structurally enigmatic polymorph, vaterite-a metastable polymorph of CaCO 3 . Vaterite is an important material ranging from biomedical to personal care applications although its crystal structure is highly debated. We characterized the structure of Lake Sturgeon otoliths using thermal analysis and neutron powder diffraction, which is used non-destructively. We confirmed that while Lake Sturgeon otoliths are primarily composed of vaterite, they also contain the denser CaCO 3 polymorph, calcite. For the vaterite fraction, neutron diffraction data provide enhanced discrimination of the carbonate group compared to x-ray diffraction data, owing to the different relative neutron scattering lengths, and thus offer the opportunity to uniquely test the more than one dozen crystal structural models that have been proposed for vaterite. Of those, space group P6 5 22 model, a = 7.1443(4)Å, c = 25.350(4)Å, V = 1121.5(2)Å 3 provides the best fit to the neutron powder diffraction data, and allows for a structure refinement using rigid carbonate groups.

  11. Molecular dynamical and structural studies for the bakelite by neutron cross section measurements

    International Nuclear Information System (INIS)

    Voi, D.L.

    1992-05-01

    Neutron reaction cross sections were determined by transmission and scattering measurements, to study the dynamics and molecular structure of calcined bakelites. Total cross sections were determined, with a deviation smaller than 5%, from the literature values, by neutron transmission method and a specially devised approximation. These cross sections were then correlated with data obtained with infra-red spectroscopy, elemental analysis and other techniques to get the probable molecular formulae of bakelite. Double differential scattering cross sections, scattering law values and frequency distributions were determined with 15% error using the neutron inelastic scattering method. The frequency distributions as well as the overall results from all experimental techniques used in this work allowed to suggest a structural model like polycyclic hydrocarbons, for calcined bakelite at 800 0 C. (author)

  12. Structural characterization of nanoscale intermetallic precipitates in highly neutron irradiated reactor pressure vessel steels

    International Nuclear Information System (INIS)

    Sprouster, D.J.; Sinsheimer, J.; Dooryhee, E.; Ghose, S.K.; Wells, P.; Stan, T.; Almirall, N.; Odette, G.R.; Ecker, L.E.

    2016-01-01

    Massive, thick-walled pressure vessels are permanent nuclear reactor structures that are exposed to a damaging flux of neutrons from the adjacent core. The neutrons cause embrittlement of the vessel steel that grows with dose (fluence), as manifested by an increasing ductile-to-brittle fracture transition temperature. Extending reactor life requires demonstrating that large safety margins against brittle fracture are maintained at the higher neutron fluence associated with beyond 60 years of service. Here synchrotron-based x-ray diffraction and small angle x-ray scattering measurements are used to characterize highly embrittling nm-scale Mn–Ni–Si precipitates that develop in the irradiated steels at high fluence. These precipitates lead to severe embrittlement that is not accounted for in current regulatory models. Application of the complementary techniques has, for the very first time, successfully identified the crystal structures of the nanoprecipitates, while also yielding self-consistent compositions, volume fractions and size distributions.

  13. Tagged spectator deep-inelastic scattering off the deuteron as a tool to study neutron structure

    International Nuclear Information System (INIS)

    Cosyn, W.; Sargsian, M.

    2016-01-01

    We give an overview of a model to describe deep-inelastic scattering (DIS) off the deuteron with a spectator proton (e+d → e'+X+p s ), based on the virtual nucleon approximation (VNA). The model accounts for the final-state interactions (FSI) of the DIS debris with the spectator proton. Values of the rescattering cross section are obtained by fits to high-momentum spectator data. By using the so-called 'pole extrapolation' method, free neutron structure functions can be obtained by extrapolating low-momentum spectator proton data to the on-shell neutron pole. We apply this method to the BONuS data set and find a surprising Bjorken x dependence, indicating a possible rise of the neutron to proton structure function ratio at high x. (authors)

  14. Invisible detergents for structure determination of membrane proteins by small-angle neutron scattering

    DEFF Research Database (Denmark)

    Midtgaard, Søren Roi; Darwish, Tamim A.; Pedersen, Martin Cramer

    2018-01-01

    A novel and generally applicable method for determining structures of membrane proteins in solution via small-angle neutron scattering (SANS) is presented. Common detergents for solubilizing membrane proteins were synthesized in isotope-substituted versions for utilizing the intrinsic neutron...... scattering length difference between hydrogen and deuterium. Individual hydrogen/deuterium levels of the detergent head and tail groups were achieved such that the formed micelles became effectively invisible in heavy water (D2 O) when investigated by neutrons. This way, only the signal from the membrane...... protein remained in the SANS data. We demonstrate that the method is not only generally applicable on five very different membrane proteins but also reveals subtle structural details about the sarco/endoplasmatic reticulum Ca2+ ATPase (SERCA). In all, the synthesis of isotope-substituted detergents makes...

  15. X-ray diffraction, neutron diffraction and analysis of molecular structures

    International Nuclear Information System (INIS)

    Fontecilla-Camps, J.C.

    1997-01-01

    The only method that is capable to show the atomic structure of most of macromolecules is the X ray diffraction; neutron diffraction is mostly used for the localization of hydrogen atoms, too light to be detected by X ray diffraction. With the growing number of known structures, the molecular crystallographic study may combine the molecular replacement technique and the co-crystallization method, or use the new Laue method, and leads to the functional and topological analysis of biological molecular structures

  16. Structure of drug-target proteins determined by both X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Kuroki, Ryota

    2009-01-01

    Crystallography enables us to obtain accurate atomic positions within proteins. High resolution X-ray crystallography provides information for most of the atoms comprising a protein, with the exception of hydrogens. Neutron diffraction data can provide information of the location of hydrogen atoms to the structural information determined by X-ray crystallography. Here, we show the recent of the structural determination of drug-target proteins, porcine pancreatic elastase (PPE) and human immuno-deficiency virus type-1 protease (HIV-PR) by both X-ray and neutron diffraction. The structure of porcine pancreatic elastase with its potent inhibitor (FR13080) was determined to 0.94A resolution by X-ray diffraction and 1.75 A resolution by neutron diffraction. It was found that there are two characteristic hydrogen bonding interactions in which hydrogen atoms were confirmed. One is located between a catalytic aspartate and histidine, another is involved in the inhibitor recognition site. The structure of HIV-PR with its potent inhibitor (KNI-272) was also determined to 0.93 A resolution by X-ray diffraction and 2.3 A resolution by neutron diffraction. The ionization state of the catalytic residues were clarified to show that Asp125 is protonated and Asp25 is deprotonated. The ionization state and the location of hydrogen atoms of the catalytic residue in HIV-PR were firstly determined by neutron diffraction. Furthermore, collaborative use of both X-ray and neutron to identify the location of ambiguous hydrogen atoms will be shown. (author)

  17. Neutron star evolution and the structure of matter at high density

    International Nuclear Information System (INIS)

    Soyeur, Madeleine.

    1981-09-01

    The structure and properties of neutron stars are determined by the state of cold nuclear matter at high density. In order to investigate the behavior of matter inside neutron stars, observables sensitive to their internal structure have to be calculated and confronted to observations. The thermal radiation of neutron stars seems to be a good candidate to be such observable. It can be shown that the neutrino luminosity of neutron stars, responsible for their cooling in the early stages of their evolution is strongly dependent on possible phase transitions to superfluid nucleons, to pion condensation or to quark matter. The specific heat of matter is also not the same in the various phases expected at high density and is particularly sensitive to the nucleon superfluidity. At present, both the theoretical estimates and the observations of the thermal properties of neutron stars are still quite preliminary. In particular, large uncertainties due to possible reheating mechanisms and magnetic field effects make the theoretical interpretation of the steady radiation of pulsars quite difficult

  18. Structural and optical properties improvements of PVP/gelatin blends induced by neutron irradiation

    Science.gov (United States)

    Basha, Mohammad Ahmad-Fouad; Hassan, Mohamed Ahmed

    2018-05-01

    Blends of polyvinylpyrrolidone and gelatin were prepared in three different concentrations to study the modifications in their structural and optical properties induced by neutron irradiations with different neutron fluence values from 108 up to 1011 neutron/cm2. X-ray spectroscopy revealed that the irradiation has induced a recrystallization phenomenon in the studied blends and the crystallinity index increased by increasing the neutron fluence due to the breaking of the crystallites. Fourier-transform infrared spectroscopy came to confirm the existence of interactions between interchain groups and a higher compatibility for the irradiated blends. The irradiation induced defects inside the material were responsible for the change in their optical and structural properties. The creation of free radicals or ions inside the conduction bands has led to the increase in the number of carriers on localized states; this has caused the increase in optical conductivity of the irradiated blends as a result of decreasing the energy gaps by increasing the neutron fluence. Results may widen the applications of the gelatin based blends to include optoelectronic devices, organic light emitting devices, solar selective and anti-reflectance bio-coatings, optical organic glass and lenses.

  19. Standard Practice for Determining NeutronExposures for Nuclear Reactor Vessel Support Structures

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2008-01-01

    1.1 This practice covers procedures for monitoring the neutron radiation exposures experienced by ferritic materials in nuclear reactor vessel support structures located in the vicinity of the active core. This practice includes guidelines for: 1.1.1 Selecting appropriate dosimetric sensor sets and their proper installation in reactor cavities. 1.1.2 Making appropriate neutronics calculations to predict neutron radiation exposures. 1.2 This practice is applicable to all pressurized water reactors whose vessel supports will experience a lifetime neutron fluence (E > 1 MeV) that exceeds 1 × 1017 neutrons/cm2 or 3.0 × 10−4 dpa. (See Terminology E 170.) 1.3 Exposure of vessel support structures by gamma radiation is not included in the scope of this practice, but see the brief discussion of this issue in 3.2. 1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and h...

  20. Proceedings of the 182nd basic science seminar (The workshop on neutron structural biology ) 'New frontiers of structural biology advanced by solution scattering'

    International Nuclear Information System (INIS)

    Fujiwara, Satoru

    2001-03-01

    182nd advanced science seminar (the workshop on neutron structural biology) was held in February 9-10, 2000 at Tokai. Thirty-six participants from universities, research institutes, and private companies took part in the workshop, and total of 24 lectures were given. This proceedings collects abstracts, the figures and tables, which the speakers used in their lectures. The proceedings contains two reviews from the point of view of x-ray and neutron scatterings, and six subjects (21 papers) including neutron and x-ray scattering in the era of structure genomics, structural changes detected with solution scattering, a new way in structural biology opened by neutron crystallography and neutron scattering, x-ray sources and detectors, simulation and solution scattering, and neutron sources and detectors. (Kazumata, Y.)

  1. Transmission factors for neutrons produced by radioisotopes production used in PET

    International Nuclear Information System (INIS)

    Hernandez G, D.; Cruzate, J.A.

    1996-01-01

    The dose transmission factor for normal concrete and the neutrons produced in the 18 O(p,n) 18 F and 13 C(p,n) 13 N reactions are presented in this paper. These transmission factors permit to simplify the calculation of the necessary accelerator shielding to be used in the radioisotope production for positron emission tomography. The energy distributions of the neutrons resulting from the irradiation of thick targets, with 10 to 13 MeV protons, were determined using the thin target cross sections, the energy loss per path length and the energy balance of the reaction (Q-equation). The one dimensional discrete ordinate transport code ANISN and the conversion coefficients from fluence to dose, presented in the ICRP Publication 51 were employed to obtain the transmission factors. (authors). 12 refs., 3 figs., 2 tabs

  2. Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor.

    Science.gov (United States)

    Amann-Winkel, Katrin; Löw, Florian; Handle, Philip H; Knoll, Wiebke; Peters, Judith; Geil, Burkhard; Fujara, Franz; Loerting, Thomas

    2012-12-21

    Recently, it became clear that relaxation effects in amorphous ices play a very important role that has previously been overlooked. The thermodynamic history of amorphous samples strongly affects their transition behavior. In particular, well-relaxed samples show higher thermal stability, thereby providing a larger window to investigate their glass transitions. We here present neutron scattering experiments using fixed elastic window scans on relaxed forms of amorphous ice, namely expanded high density amorphous ice (eHDA), a variant of low density amorphous ice (LDA-II) and hyperquenched glassy water (HGW). These amorphous ices are expected to be true glassy counterparts of deeply supercooled liquid water, therefore fast precursor dynamics of structural relaxation are expected to appear below the calorimetric glass transition temperature. The Debye-Waller factor shows a very weak sub-T(g) anomaly in some of the samples, which might be the signature of such fast precursor dynamics. However, we cannot find this behavior consistently in all samples at all reciprocal length scales of momentum transfer.

  3. Proton and neutron electromagnetic form factors and uncertainties

    Science.gov (United States)

    Ye, Zhihong; Arrington, John; Hill, Richard J.; Lee, Gabriel

    2018-02-01

    We determine the nucleon electromagnetic form factors and their uncertainties from world electron scattering data. The analysis incorporates two-photon exchange corrections, constraints on the low-Q2 and high-Q2 behavior, and additional uncertainties to account for tensions between different data sets and uncertainties in radiative corrections.

  4. Effect Of Neutron Activation Factor On The Physico-Chemical Properties Of Hydrophilic And Hydrophobic Polymer Formulation Of Matrix Tablets

    International Nuclear Information System (INIS)

    Ibrahim Ijang; Bohari Yaacob; Nordiana, N.R.

    2011-01-01

    This study was to investigate effect of neutron activation on the physicochemical properties and in vitro dissolution of sustained-release matrix tablets. The tablets incorporation of Samarium oxide (Sm 2 O 3 ) and were compared before and after irradiation with thermal neutron for 5 minutes at 1.2 x 10 12 neutron cm -2 s -1 . The neutron activation factor did not influence the compression properties of the tablets. The dissolution tests showed that irradiation increased the release of the model drug ketoprofen from the tablets. This effect might be explained by polymer degradation. Incorporation of Sm 2 O 3 in the matrix tablets did not influence the release. (author)

  5. Investigating the Defect Structures in Transparent Conducting Oxides Using X-ray and Neutron Scattering Techniques.

    Science.gov (United States)

    González, Gabriela B

    2012-05-11

    Transparent conducting oxide (TCO) materials are implemented into a wide variety of commercial devices because they possess a unique combination of high optical transparency and high electrical conductivity. Created during the processing of the TCOs, defects within the atomic-scale structure are responsible for their desirable optical and electrical properties. Therefore, studying the defect structure is essential to a better understanding of the behavior of transparent conductors. X-ray and neutron scattering techniques are powerful tools to investigate the atomic lattice structural defects in these materials. This review paper presents some of the current developments in the study of structural defects in n-type TCOs using x-ray diffraction (XRD), neutron diffraction, extended x-ray absorption fine structure (EXAFS), pair distribution functions (PDFs), and x-ray fluorescence (XRF).

  6. Investigating the Defect Structures in Transparent Conducting Oxides Using X-ray and Neutron Scattering Techniques

    Directory of Open Access Journals (Sweden)

    Gabriela B. González

    2012-05-01

    Full Text Available Transparent conducting oxide (TCO materials are implemented into a wide variety of commercial devices because they possess a unique combination of high optical transparency and high electrical conductivity. Created during the processing of the TCOs, defects within the atomic-scale structure are responsible for their desirable optical and electrical properties. Therefore, studying the defect structure is essential to a better understanding of the behavior of transparent conductors. X-ray and neutron scattering techniques are powerful tools to investigate the atomic lattice structural defects in these materials. This review paper presents some of the current developments in the study of structural defects in n-type TCOs using x-ray diffraction (XRD, neutron diffraction, extended x-ray absorption fine structure (EXAFS, pair distribution functions (PDFs, and x-ray fluorescence (XRF.

  7. Structural aspects of high-Tc superconductors from neutron profile refinement studies

    International Nuclear Information System (INIS)

    Sequeira, A.

    1991-01-01

    The new high-temperature (high-Tc) superconductors have evoked worldwide interest in detecting and characterising their structure and properties. Among the variety of techniques used to characterise these materials, neutron profile refinement using polycrystalline samples has provided the most definitive information regarding their bulk crystal structures. At Trombay the structures of a variety of high-Tc superconductors in the Y-Ba-Cu-O, Tl-Ba-Ca-Cu-O and Bi-Sr-Ca-Cu-O systems have been investigated by neutron diffraction at the high-flux DHRUVA reactor. The results of these investigations are reviewed within the context of the current structural models of these materials and some of the novel structural features observed are highlighted. (orig.)

  8. Introduction to the application and limits of anomalous X-ray diffraction in the determination of partial structure factors

    International Nuclear Information System (INIS)

    Bienenstock, A.

    1993-01-01

    The use of anomalous X-ray scattering to obtain the first differences and partial structure factors normally obtained with isotopic substitution neutron diffraction is described and compared with the neutron technique. Both the problems associated with the X-ray technique (low-Z problems, scattering factor problems, Compton scattering problems, fluorescence problems, storage ring stability problems) and the situations in which it is highly valuable are discussed. 12 refs

  9. Small-Angle Neutron Scattering Study of Structural Changes in Temperature-Sensitive Microgel Colloids

    NARCIS (Netherlands)

    Stieger, M.A.; Richtering, W.; Pedersen, J.S.; Lindner, P.

    2004-01-01

    The structure of temperature-sensitive poly(N-isopropylacrylamide) microgels in dilute suspension was investigated by means of small-angle neutron scattering. A direct modeling expression for the scattering intensity distribution was derived which describes very well the experimental data at all

  10. Structure of Co–Zn ferrite ferrofluid: A small angle neutron scattering

    Indian Academy of Sciences (India)

    A hydrothermal synthesis route is used to synthesize nanomagnetic particles of Co0.3Zn0.7Fe2O4 ferrite ferrofluids with particle diameter ranging from 5.5–9 nm. XRD analysis shows the formation of a single phase spinel structure. EDX results confirm the stoichiometric composition of the cations. Small angle neutron ...

  11. Structure in cohesive powder studied with spin-echo small angle neutron scattering

    NARCIS (Netherlands)

    Andersson, R.; Bouwman, W.G.; Luding, Stefan; de Schepper, I.M.

    2008-01-01

    Extracting structure and ordering information from the bulk of granular materials is a challenging task. Here we present Spin-Echo Small Angle Neutron Scattering Measurements in combination with computer simulations on a fine powder of silica, before and after uniaxial compression. The cohesive

  12. Structure in cohesive powders studied with spin-echo small angle neutron scattering

    NARCIS (Netherlands)

    Andersson, R.; Bouwman, W.G.; Luding, S.; De Schepper, I.M.

    2008-01-01

    Extracting structure and ordering information from the bulk of granular materials is a challenging task. Here we present Spin-Echo Small Angle Neutron Scattering Measurements in combination with computer simulations on a fine powder of silica, before and after uniaxial compression. The cohesive

  13. Neutron diffraction studies of the magnetic structures of TbRu2Si2

    DEFF Research Database (Denmark)

    Kawano, S.; Lebech, B.; Shigeoka, T.

    2000-01-01

    We have confirmed by neutron diffraction that the high-temperature phase of TbRu2Si2 exhibits a magnetic one-dimensional modulation with Q=(3/13 0 0), while for the intermediate phase the modulation becomes two-dimensional with many satellites. At low-temperature the magnetic structure changes...

  14. The defect structure of yttria-stabilized zirconia, studied by quasielastic diffuse neutron scattering

    DEFF Research Database (Denmark)

    Andersen, Niels Hessel; Clausen, Kurt Nørgaard; Hackett, M. A.

    1986-01-01

    The static defect structure of the oxygen ion conductor Y2O3 stabilized zirconia has been studied at room temperature by coherent diffuse neutron scattering from single crystal samples containing nominally 9.4, 12, 15 and 18 mol% Y2O3. There are two principal contributions to the observed diffuse...

  15. Reinvestigation of the structures of lithium-cobalt-oxides with neutron-diffraction data

    CSIR Research Space (South Africa)

    Gummow, RJ

    1993-11-01

    Full Text Available The structures of LT-LiCoO2 (synthesised by reaction of Li2CO3 and CoCO3 at 400-degrees-C) and its delithiated product LT-Li0.4CoO2 have been reinvestigated by neutron powder diffraction. Despite an unusually close similarity between diffraction...

  16. The shell structure effects in neutron cross section calculation by a ...

    African Journals Online (AJOL)

    The role of the shell structure properties of the nucleus in the calculation of neutron-induced reaction cross-section data based on nuclear reaction theory has been investigated. In this investigation, measured, evaluated and calculated (n.p) reaction cross-section data on la spherical nucleus (i.e. 112Sn) and a deformed ...

  17. Investigation of 11Be structure by means of neutron transfer reaction

    International Nuclear Information System (INIS)

    Fortier, S.; Winfield, J.; Pita, S.

    1999-01-01

    The p( 11 Be, 10 Be)d reaction at 35.3 MeV/u has been studied at the GANIL-SISSI secondary beam facility. The aim of the experiment is to extract spectroscopic factors measuring the coupling of the halo neutron to the 0 + and 2 + states of the 10 Be core. (authors)

  18. Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

    Czech Academy of Sciences Publication Activity Database

    Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel

    2017-01-01

    Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

  19. Laser-spectroscopy studies of the nuclear structure of neutron-rich radium

    Science.gov (United States)

    Lynch, K. M.; Wilkins, S. G.; Billowes, J.; Binnersley, C. L.; Bissell, M. L.; Chrysalidis, K.; Cocolios, T. E.; Goodacre, T. Day; de Groote, R. P.; Farooq-Smith, G. J.; Fedorov, D. V.; Fedosseev, V. N.; Flanagan, K. T.; Franchoo, S.; Garcia Ruiz, R. F.; Gins, W.; Heinke, R.; Koszorús, Á.; Marsh, B. A.; Molkanov, P. L.; Naubereit, P.; Neyens, G.; Ricketts, C. M.; Rothe, S.; Seiffert, C.; Seliverstov, M. D.; Stroke, H. H.; Studer, D.; Vernon, A. R.; Wendt, K. D. A.; Yang, X. F.

    2018-02-01

    The neutron-rich radium isotopes, Ra-233222, were measured with Collinear Resonance Ionization Spectroscopy (CRIS) at the ISOLDE facility, CERN. The hyperfine structure of the 7 s2S10→7 s 7 p P31 transition was probed, allowing measurement of the magnetic moments, quadrupole moments, and changes in mean-square charge radii. These results are compared to existing literature values, and the new moments and change in mean-square charge radii of 231Ra are presented. Low-resolution laser spectroscopy of the very neutron-rich 233Ra has allowed the isotope shift and relative charge radius to be determined for the first time.

  20. Analysis of Crystallographic Structure of a Japanese Sword by the Pulsed Neutron Transmission Method

    Science.gov (United States)

    Kino, K.; Ayukawa, N.; Kiyanagi, Y.; Uchida, T.; Uno, S.; Grazzi, F.; Scherillo, A.

    We measured two-dimensional transmission spectra of pulsed neutron beams for a Japanese sword sample. Atom density, crystalline size, and preferred orientation of crystals were obtained using the RITS code. The position dependence of the atomic density is consistent with the shape of the sample. The crystalline size is very small and shows position dependence, which is understood by the unique structure of Japanese swords. The preferred orientation has strong position dependence. Our study shows the usefulness of the pulsed neutron transmission method for cultural metal artifacts.

  1. Comparing Factor Structures of Adolescent Psychopathology

    Science.gov (United States)

    Verona, Edelyn; Javdani, Shabnam; Sprague, Jenessa

    2011-01-01

    Research on the structure of adolescent psychopathology can provide information on broad factors that underlie different forms of maladjustment in youths. Multiple studies from the literature on adult populations suggest that 2 factors, Internalizing and Externalizing, meaningfully comprise the factor structure of adult psychopathology (e.g.,…

  2. Calculation of neutron and gamma-ray flux-to-dose-rate conversion factors

    International Nuclear Information System (INIS)

    Kwon, S.G.; Lee, S.Y.; Yook, C.C.

    1981-01-01

    This paper presents flux-to-dose-rate conversion factors for neutrons and gamma rays based on the American National Standard Institute (ANSI) N666. These data are used to calculate the dose rate distribution of neutron and gamma ray in radiation fields. Neutron flux-to-dose-rate conversion factors for energies from 2.5 x 10 -8 to 20 MeV are presented; the corresponding energy range for gamma rays is 0.01 to 15 MeV. Flux-to-dose-rate conversion factors were calculated, under the assumption that radiation energy distribution has nonlinearity in the phantom, have different meaning from those values obtained by monoenergetic radiation. Especially, these values were determined with the cross section library. The flux-to-dose-rate conversion factors obtained in this work were in a good agreement to the values presented by ANSI. Those data will be useful for the radiation shielding analysis and the radiation dosimetry in the case of continuous energy distributions. (author)

  3. Magnetic structure of the swedenborgite CaBa (Co3Fe ) O7 derived by unpolarized neutron diffraction and spherical neutron polarimetry

    Science.gov (United States)

    Qureshi, N.; Díaz, M. T. Fernández; Chapon, L. C.; Senyshyn, A.; Schweika, W.; Valldor, M.

    2018-02-01

    We present a study that combines polarized and unpolarized neutrons to derive the magnetic structure of the swedenborgite compound CaBa (Co3Fe ) O7. Integrated intensities from a standard neutron diffraction experiment and polarization matrices from spherical neutron polarimetry have been simultaneously analyzed revealing a complex order, which differs from the usual spin configurations on a kagome lattice. We find that the magnetic structure is well described by a combination of two one-dimensional representations corresponding to the magnetic superspace symmetry P 21' , and it consists of spins rotating around an axis close to the [110] direction. Due to the propagation vector q =(1/3 00 ) , this modulation has cycloidal and helicoidal character rendering this system a potential multiferroic. The resulting spin configuration can be mapped onto the classical √{3 }×√{3 } structure of a kagome lattice, and it indicates an important interplay between the kagome and the triangular layers of the crystal structure.

  4. Nuclear structure far from stability: the neutron-rich 69-79Cu isotopes

    International Nuclear Information System (INIS)

    Franchoo, Serge

    2015-01-01

    Far from stability, the nuclear structure that is predicted by the shell model is evolving. Old magic numbers disappear, while new ones appear. Our understanding of the underlying nuclear force that drives these changes is still incomplete. After a short overview across the nuclear chart, we discuss the strength functions of the shell-model orbitals in the neutron-rich copper isotopes towards the 78 Ni doubly-magic nucleus. These were measured in a 72 Zn(d, 3 He) 71 Cu proton pick-up reaction in inverse kinematics with a radioactive beam at the Ganil laboratory in France. We also present the latest results from a 80 Zn(p,2p) 79 Cu knockout experiment at Riken in Japan, leading to selective population of hole states in 79 Cu. Our findings show that the Z=28 shell gap in the neutron-rich copper isotopes is surprisingly steady against the addition of neutrons beyond N=40. (author)

  5. Effects of deformations and orientations on neutron-halo structure of light-halo nuclei

    International Nuclear Information System (INIS)

    Sawhney, Gudveen; Gupta, Raj K.; Sharma, Manoj K.

    2013-01-01

    The availability of radioactive nuclear beams have enabled to study the structure of nuclei far from the stability line, which in turn led to the discovery of neutron-halo nuclei. These nuclei, located near the neutron drip-line exhibit a high probability of presence of one or two loosely bound neutrons at a large distance from the rest of nucleons. The fragmentation behavior is studied for 13 cases of 1n-halo nuclei, which include 11 Be, 14 B, 15 C, 17 C, 19 C, 22 N, 22 O, 23 O, 24 O, 24 F, 26 F, 29 Ne and 31 Ne, using the cluster-core model (CCM) extended to include the deformations and orientations of nuclei

  6. Small angle neutron diffraction studies of vortex structures in high temperature superconductors

    DEFF Research Database (Denmark)

    Cubitt, R.; Forgan, E.M.; Wylie, M.T.

    1994-01-01

    We have used neutron scattering to provide direct information about flux structures in the bulk of crystals of the superconductor Bi2Sr2CaCu2O8. Its extremely high effective mass anisotropy, makes the flux lattice susceptable to melting and also to decomposition into 'pancake' vortices, which would...... give a more two-dimensional vortex structure. At low temperatures and fields the scattered intensity is consistent with a three dimensional flux-line structure. At higher fields and temperatures, the scattering from the flux lattice dissapears well below T-c. We can associate this dissappearance...... with the above changes in the vortex structure. We compare the neutron scattering results with macroscopic measurements of magnetisation....

  7. Thermal structure of accreting neutron stars and strange stars

    International Nuclear Information System (INIS)

    Miralda-Escude, J.; Paczynski, B.; Haensel, P.

    1990-01-01

    Steady-state models of accreting neutron stars and strange stars are presented, and their properties as a function of accretion rate are analyzed. The models have steady-state envelopes, with stationary hydrogen burning taken into account, the helium shell flashes artificially suppressed, and the crust with a large number of secondary heat sources. The deep interiors are almost isothermal and are close to thermal equilibrium. A large number of models were calculated for many values of the accretion rates, with ordinary, pion-condensed, and strange cores, with and without secondary heat sources in the crust, and with the heavy element content of the accreting matter in the range Z = 0.0002-0.02. All models show a similar pattern of changes as the accretion rate is varied. For low accretion rates, the hydrogen burning shell is unstable; for intermediate rates, the hydrogen burning shell is stable, but helium burning is not; for high rates, the two shell sources burn together and are unstable. 60 refs

  8. Calculated neutron air kerma strength conversion factors for a generically encapsulated Cf-252 brachytherapy source

    CERN Document Server

    Rivard, M J; D'Errico, F; Tsai, J S; Ulin, K; Engler, M J

    2002-01-01

    The sup 2 sup 5 sup 2 Cf neutron air kerma strength conversion factor (S sub K sub N /m sub C sub f) is a parameter needed to convert the radionuclide mass (mu g) provided by Oak Ridge National Laboratory into neutron air kerma strength required by modern clinical brachytherapy dosimetry formalisms indicated by Task Group No. 43 of the American Association of Physicists in Medicine (AAPM). The impact of currently used or proposed encapsulating materials for sup 2 sup 5 sup 2 Cf brachytherapy sources (Pt/Ir-10%, 316L stainless steel, nitinol, and Zircaloy-2) on S sub K sub N /m sub C sub f was calculated and results were fit to linear equations. Only for substantial encapsulation thicknesses, did S sub K sub N /m sub C sub f decrease, while the impact of source encapsulation composition is increasingly negligible as Z increases. These findings are explained on the basis of the non-relativistic kinematics governing the majority of sup 2 sup 5 sup 2 Cf neutron interactions. Neutron kerma and energy spectra resul...

  9. What can we learn about the lipid vesicle structure from the small angle neutron scattering experiment?

    International Nuclear Information System (INIS)

    Kiselev, M.A.; Zemlyanaya, E.V.; Aswal, V.K.; Neubert, R.H.H.

    2005-01-01

    Small angle neutron scattering (SANS) on the unilamellar vesicle populations (diameter of 500 and 1000 Armstrong) was used to characterize lipid vesicles from dimyristoylphosphatidylcholine (DMPC) in three phases (gel, ripple, and liquid). Parameters of vesicle populations and internal structure of the DMPC bilayer were characterized on the basis of the Separated Form Factor (SFF) model. Vesicle shape changes from about spherical in liquid phase to elliptical in ripple and gel phases for vesicles prepared via extrusion through pores with the diameter of 500 Armstrong. Parameters of the internal bilayer structure (membrane thickness, thickness of the hydrophobic core, hydration, and surface area of lipid molecule) were determined on the basis of the Hydrophobic-Hydrophilic (HH) approximation of neutron scattering length density across the bilayer ρ(x) and on the basis of the Step Function (SF) approximation of ρ(x). It was demonstrated in the framework of HH approximation that DMPC membrane thickness in the liquid phase (T = 30 deg C) depends on the membrane curvature. Vesicle population prepared via extrusion through pores with the diameter of 500 Armstrong is characterized by an average radius of 275.6 ± 0.5 Armstrong, polydispersity of 27%, membrane thickness of 47.8 ± 0.2 Armstrong, thickness of hydrophobic core of 20.5 ± 0.3 Armstrong, surface area per DMPC molecule of 61.0 ± 0.4 A 2 Armstrong, and the number of water molecules per DMPC molecule of 11.9 ± 0.3. Vesicles prepared via extrusion through pores with the diameter of 1000 Armstrong have a polydispersity of 48%, and a membrane thickness of 45.6 ± 0.2 Armstrong. SF approximation was used to describe the DMPC membrane structure in gel (T 10 deg C) and ripple (T = 20 deg C) phases. DMPC vesicles prepared via extrusion through 1000- Armstrong pores have a membrane thickness of 49.6 ± 0.5 Armstrong in the gel phase and 48.3 ± 0.6 Armstrong in the ripple phase. The dependence of the DMPC membrane

  10. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2012-07-01

    The following topics are dealt with: Neutron scattering in contemporary research, neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  11. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2013-07-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, nanostructures investigated by small-angle neutron scattering, structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic neutron scattering, strongly correlated electrons, polymer dynamics, applications of neutron scattering. (HSI)

  12. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2012-01-01

    The following topics are dealt with: Neutron scattering in contemporary research, neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  13. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2013-01-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, nanostructures investigated by small-angle neutron scattering, structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic neutron scattering, strongly correlated electrons, polymer dynamics, applications of neutron scattering. (HSI)

  14. Equation of state of dense nuclear matter and neutron star structure from nuclear chiral interactions

    Science.gov (United States)

    Bombaci, Ignazio; Logoteta, Domenico

    2018-02-01

    Aims: We report a new microscopic equation of state (EOS) of dense symmetric nuclear matter, pure neutron matter, and asymmetric and β-stable nuclear matter at zero temperature using recent realistic two-body and three-body nuclear interactions derived in the framework of chiral perturbation theory (ChPT) and including the Δ(1232) isobar intermediate state. This EOS is provided in tabular form and in parametrized form ready for use in numerical general relativity simulations of binary neutron star merging. Here we use our new EOS for β-stable nuclear matter to compute various structural properties of non-rotating neutron stars. Methods: The EOS is derived using the Brueckner-Bethe-Goldstone quantum many-body theory in the Brueckner-Hartree-Fock approximation. Neutron star properties are next computed solving numerically the Tolman-Oppenheimer-Volkov structure equations. Results: Our EOS models are able to reproduce the empirical saturation point of symmetric nuclear matter, the symmetry energy Esym, and its slope parameter L at the empirical saturation density n0. In addition, our EOS models are compatible with experimental data from collisions between heavy nuclei at energies ranging from a few tens of MeV up to several hundreds of MeV per nucleon. These experiments provide a selective test for constraining the nuclear EOS up to 4n0. Our EOS models are consistent with present measured neutron star masses and particularly with the mass M = 2.01 ± 0.04 M⊙ of the neutron stars in PSR J0348+0432.

  15. Measurement of neutron disadvantage factor for fuel and moderator in the square reactor cell

    International Nuclear Information System (INIS)

    Bosevski, T.; Spiric, V.

    1964-01-01

    Full text: Heterogeneous diffusion treatment for flux distribution was used to define the direction of measurements for obtaining mean neutron flux in the moderator of the reactor cell by single integration. Factor Q for the fuel was determined by using experimental flux distribution in the cell moderator and calculated values for the function X (x;y). Experimental and calculated results are shown as a diagram. All the calculations were done on the ZUSE-Z-23 computer

  16. Calibration of neutrons monitors with moderators and application in the calibration factors of albedo dosemeters

    International Nuclear Information System (INIS)

    Schuch, L.A.

    1978-11-01

    The calibration factors and the reproducibility of an Albedo Dosimeter designed for personal neutron monitoring were determined. These factor were obtained simulating the dosimeter reading and the equivalent dose in the locality by a convenient combination of responses of the Bonner Sphere Spectrometer. The results obtained in the simulation were verified experimentally for different spectra employing the Am-Be, bare 252 Cf source and 253 Cf source with graphite sields of varying thickness. Different standards were used in the procedures necessary for the determination of the calibration factors. An Am-Be neutron source, standardized by the activation of a manganese sulphate bath was used as a primary standard. As a secondary standard, for the measurement of the neutron fluence, a De Pangher Long Counter was used and the scattering effects were determined using the shadow cone method. The other monitors such as the Rem-Counter and the Bonner Sphere Spectrometer were also calibrated with reference to the secondary standard with a view to comparing the results obtained with those furnished by the Albedo Dosimeter. (Author) [pt

  17. Magnetic structure of bixbyite α-Mn2O3: A combined DFT+U and neutron diffraction study

    Science.gov (United States)

    Cockayne, Eric; Levin, Igor; Wu, Hui; Llobet, Anna

    2013-05-01

    First-principles density functional theory DFT+U calculations and experimental neutron diffraction structure analyses were used to determine the low-temperature crystallographic and magnetic structure of bixbyite α-Mn2O3. The energies of various magnetic arrangements, calculated from first principles, were fit to a cluster-expansion model using a Bayesian method that overcomes a problem of underfitting caused by the limited number of input magnetic configurations. The model was used to predict the lowest-energy magnetic states. Experimental determination of magnetic structure benefited from an optimized sample synthesis, which produced crystallite sizes large enough to yield a clear splitting of peaks in the neutron powder diffraction patterns, thereby enabling magnetic-structure refinements under the correct orthorhombic symmetry. The refinements employed group theory to constrain magnetic models. Computational and experimental analyses independently converged to similar ground states, with identical antiferromagnetic ordering along a principal magnetic axis and secondary ordering along a single orthogonal axis, differing only by a phase factor in the modulation patterns. The lowest-energy magnetic states are compromise solutions to frustrated antiferromagnetic interactions between certain corner-sharing [MnO6] octahedra.

  18. Neutron Scattering Studies of Nanomagnetism and Artificially Structured Materials

    Energy Technology Data Exchange (ETDEWEB)

    Fitzsimmons, M.R.; Bader, S.D.; Borchers, J.A.; Felcher, G.P.; Furdyna, J.K.; Hoffmann, A.; Kortright, J.B.; Schuller, Ivan K.; Schulthess, T.C.; Sinha, S.K.; Toney, M.F.; Weller, D.; Wolf, S.

    2003-02-01

    Nanostructured magnetic materials are intensively studied due to their unusual properties and promise for possible applications. The key issues in these materials relate to the connection between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structure allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of the magnetic structure and properties.

  19. Effect of neutron dose on the structural properties of Makrofol polycarbonate

    Science.gov (United States)

    Nouh, S. A.; Amer, H.; Remon, S. W.

    2009-04-01

    The effect of neutron dose on the structural properties of a Makrofol polycarbonate detector has been studied. Samples of Makrofol were classified into three main groups. The first, second and third groups were irradiated with neutrons in the dose ranges of 0.01-0.08, 0.1-0.8 and 1.0-8.0 Sv, respectively. The structural modifications in the neutron irradiated samples were studied using X-ray diffraction and Fourier-transform infrared spectroscopy. In addition, the effect of neutron dose on the intrinsic viscosity of the liquid samples, as a measure of the mean molecular mass of the Makrofol polymer, was studied. An increase in the -OH groups was observed at dose ranges of 0.01-0.04 and 3.21-8.0 Sv due to the degradation of carbonate group and the -H abstraction from the polymer backbone to form hydroxyl groups. This indicates that the degradation is dominant at these dose ranges that enhance the degree of ordering in the irradiated samples. On the other hand, irradiation in the dose range 0.04-3.21 Sv was characterized by a dominant crosslinking mechanism that led to an increase of the amorphous phase and average molecular mass.

  20. The structure of octofluoronaphthalene at high pressures investigated by neutron powder diffraction

    International Nuclear Information System (INIS)

    Mackenzie, G.A.; Buras, B.

    1977-01-01

    The structure of the molecular crystal octofluoronaphthalene at high pressures has been studied by neutron powder diffraction. Evidence was found at about 0.8 kbar for a structural phase transition similar to that which occurs at 266.5 K at atmospheric pressure. The structure at atmospheric pressure and at 2 and 4 kbar has been refined using the powder profile refinement program EDINP. There is evidence for a further structural charge between 4 and 6 kbar, confirmed by measurements at 16 kbar, but there is insufficient data for a detailed analysis of this change. (Auth.)

  1. Studies on polymer thin film structure by X-ray and neutron reflectivity and grazing incidence small angle scattering

    International Nuclear Information System (INIS)

    Ogawa, Hiroki; Kanaya, Toshiji

    2011-01-01

    We have reviewed structure studies of polymer thin films using synchrotron radiation X-ray and neutron reflectivity as well as recently developed grazing incidence small-angle X-ray and neutron scattering, including studies on polymer thin films with embedded ordered nanometer cells, distribution of glass transition temperature Tg in thin polystyrene films, and dewetting process of polymer blend thin films. (author)

  2. Modern tendencies in development of small-angle neutron scattering in studying the structure of biological macromolecules

    International Nuclear Information System (INIS)

    Serdyuk, I.N.

    1997-01-01

    The paper presents a brief discussion of the tendencies in development of the theory and practical application of small-angle neutron scattering for studying the structure of biological macromolecules. Special attention is focused on the studies carried out in the Laboratory of Neutron Physics at the unique Ibr-2 pulse reactor in Dubna

  3. Determination of the room scattering factor in a neutron calibration room using the polynomial fit method

    International Nuclear Information System (INIS)

    Silva, Nadja F. da; Santos, Joelan A. de L.; Correia Vilela, Eudice

    2008-01-01

    Full text: The knowledgement of the neutron irradiation spectrum in a point of interest inside a calibration room is of fundamental importance to calibrate neutron instruments. Different factors affect the spectra inside such a room and they must be established to correct the final values of interest. Among these factors the scattering room factor, that include the contribution to the instrument response due to air, walls, floor, ceiling and other equipment present inside this room during the calibration process, have to be carefully determined. The ISO 10647 suggests three methods to carry out this determination: the semi empirical method, the shadow-cone technique and the polynomial fit method. In the case of multi-detector instruments or dosimeters mounted on a thorax phantom, the ISO recommend the polynomial fit method to be employed. This method only disadvantages come from the coefficients of the polynomial fit do not necessarily have physical significance and that a complete set of measurements shall be made for each instrument to be calibrated. In this polynomial fit method, a neutron source was located at a reference point and the instrument to be calibrated-to-source distance was varied between 0,5 m and 3,75 m.The correction due to the neutron scattering inside the room was obtained as following: where M t is the neutron total count rate, l is the distance between source-to-detector center, F l (l) is the geometric corrective factor, ? is the fluence at the measure point, R ? is the fluence response obtained by the fitting process as well as the fit parameters x and y. In this work an 241 AmBe source, emission rate (4,46 ± 0,07) x 10 6 n/s at july/2005 was used together with Bonner sphere multi detectors ( 6 LiI(Eu)) and a BF 3 (ThermoElectron). The obtained results were compared with those obtained by Monte Carlo method simulation. Obtained experimental and Monte Carlo values for the room scattering factor differed less than 2%. (author)

  4. Low temperature magnetic structure of CeRhIn5 by neutron diffraction on absorption-optimized samples.

    Science.gov (United States)

    Fobes, D M; Bauer, E D; Thompson, J D; Sazonov, A; Hutanu, V; Zhang, S; Ronning, F; Janoschek, M

    2017-05-04

    Two aspects of the ambient pressure magnetic structure of heavy fermion material CeRhIn 5 have remained under some debate since its discovery: whether the structure is indeed an incommensurate helix or a spin density wave, and what is the precise magnitude of the ordered magnetic moment. By using a single crystal sample optimized for hot neutrons to minimize neutron absorption by Rh and In, here we report an ordered moment of [Formula: see text]. In addition, by using spherical neutron polarimetry measurements on a similar single crystal sample, we have confirmed the helical nature of the magnetic structure, and identified a single chiral domain.

  5. Calculation of the thermal utilization factor in a heterogeneous slab cell scattering neutrons anisotropically

    International Nuclear Information System (INIS)

    Abdallah, A. M.; Elsherbiny, E. M.; Sobhy, M.

    1995-01-01

    The P n -spatial expansion method has been used for calculating the one speed transport utilization factor in heterogenous slab cells in which neutrons may scatter anisotropically; by considering the P 1- approximation with a two-term scattering kernel in both the fuel and moderator regions, an analytical expression for the disadvantage factor has been derived. The numerical results obtained have been shown to be much better than those calculated by the usual P 1- and P 3- approximations and comparable with those obtained by some exact methods. 3 tabs

  6. Neutron fluence-to-dose equivalent conversion factors: a comparison of data sets and interpolation methods

    International Nuclear Information System (INIS)

    Sims, C.S.; Killough, G.G.

    1983-01-01

    Various segments of the health physics community advocate the use of different sets of neutron fluence-to-dose equivalent conversion factors as a function of energy and different methods of interpolation between discrete points in those data sets. The major data sets and interpolation methods are used to calculate the spectrum average fluence-to-dose equivalent conversion factors for five spectra associated with the various shielded conditions of the Health Physics Research Reactor. The results obtained by use of the different data sets and interpolation methods are compared and discussed. (author)

  7. A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials.

    Science.gov (United States)

    Olds, Daniel; Page, Katharine; Paecklar, Arnold; Peterson, Peter F; Liu, Jue; Rucker, Gerald; Ruiz-Rodriguez, Mariano; Olsen, Michael; Pawel, Michelle; Overbury, Steven H; Neilson, James R

    2017-03-01

    Gas-solid interfaces enable a multitude of industrial processes, including heterogeneous catalysis; however, there are few methods available for studying the structure of this interface under operating conditions. Here, we present a new sample environment for interrogating materials under gas-flow conditions using time-of-flight neutron scattering under both constant and pulse probe gas flow. Outlined are descriptions of the gas flow cell and a commissioning example using the adsorption of N 2 by Ca-exchanged zeolite-X (Na 78-2x Ca x Al 78 Si 144 O 384 ,x ≈ 38). We demonstrate sensitivities to lattice contraction and N 2 adsorption sites in the structure, with both static gas loading and gas flow. A steady-state isotope transient kinetic analysis of N 2 adsorption measured simultaneously with mass spectrometry is also demonstrated. In the experiment, the gas flow through a plugged-flow gas-solid contactor is switched between N215 and N214 isotopes at a temperature of 300 K and a constant pressure of 1 atm; the gas flow and mass spectrum are correlated with the structure factor determined from event-based neutron total scattering. Available flow conditions, sample considerations, and future applications are discussed.

  8. A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials

    Science.gov (United States)

    Olds, Daniel; Page, Katharine; Paecklar, Arnold; Peterson, Peter F.; Liu, Jue; Rucker, Gerald; Ruiz-Rodriguez, Mariano; Olsen, Michael; Pawel, Michelle; Overbury, Steven H.; Neilson, James R.

    2017-03-01

    Gas-solid interfaces enable a multitude of industrial processes, including heterogeneous catalysis; however, there are few methods available for studying the structure of this interface under operating conditions. Here, we present a new sample environment for interrogating materials under gas-flow conditions using time-of-flight neutron scattering under both constant and pulse probe gas flow. Outlined are descriptions of the gas flow cell and a commissioning example using the adsorption of N2 by Ca-exchanged zeolite-X (Na78-2xCaxAl78Si144O384,x ≈ 38). We demonstrate sensitivities to lattice contraction and N2 adsorption sites in the structure, with both static gas loading and gas flow. A steady-state isotope transient kinetic analysis of N2 adsorption measured simultaneously with mass spectrometry is also demonstrated. In the experiment, the gas flow through a plugged-flow gas-solid contactor is switched between 15N2 and 14N2 isotopes at a temperature of 300 K and a constant pressure of 1 atm; the gas flow and mass spectrum are correlated with the structure factor determined from event-based neutron total scattering. Available flow conditions, sample considerations, and future applications are discussed.

  9. Molecular-Orbital Structure in Neutron-Rich Be and C Isotopes

    International Nuclear Information System (INIS)

    Itagaki, N.; Okabe, S.; Ikeda, K.; Tanihata, I.

    2000-01-01

    The structure of 10 Be and 12 Be are investigated using a microscopic α+α+n+n+··· model based on the molecular orbit (MO) model. The model space employed is extended from the traditional MO models, and the low-lying states are characterized by three basic orbits (3/2 - , 1/2 - and 1/2 + ) for the valence neutrons. The orbits perpendicular to the α-α axis with one node (3/2 - and 1/2 - ) are called π-orbit and one along the α-α axis (1/2 + ) is called σ-orbit, which has two nodes. In 10 Be, all of the observed positive-parity bands and the negative-parity bands are described within the model. The second 0 + state, which has dominantly the (1/2 + ) 2 configuration for the two valence neutrons, is shown to have a particularly enlarged α-α structure. The kinetic energy of the two valence neutrons occupying along the α-α axis is reduced remarkably due to the strong α clustering and simultaneously, the spin-orbit interaction plays unexpectedly important role to make the energy of this state much lower. The rotational band structure with enhanced α-α is compared with the experimental data. 12 Be is also investigated using α+α+4n model. The energy surface is shown to exhibit the similar characteristics, that the remarkable α clustering and the contribution of the spin-orbit interaction make the binding of the ground state with the (3/2 - ) 2 (1/2 - ) 2 configuration for valence neutrons properly stronger in comparison with the (3/2 - ) 2 (1/2 - ) 2 configuration. These effects play crucial roles in accounting for breaking of the N = 8 (closed p-shell) magic number. The molecular-like structure of the C isotopes is also investigated and the orbits are introduced around three α-clusters. The neutrons in π-orbit increase the binding and stabilize the linear-chain configuration of three α against the breathing-like break-up. On the other hand, the σ-orbits prevent the bending motion of the three-α chain. The combination of these configuration for the

  10. Preliminary ANS [Advanced Neutron Source] reactor cold source gain factor calculations for liquid deuterium and liquid nitrogen-15

    International Nuclear Information System (INIS)

    Henderson, D.L.

    1988-11-01

    Individual energy group gain factors are computed for liquid nitrogen-15 and liquid deuterium cold source moderators using simple one-dimensional slab and spherical geometry calculational models. The energy spectrum of the neutron source is assumed to be that of a thermalized Maxwellian flux at 20/degree/C. The slab geometry calculations indicate that the optimum thickness for neutron transmission through a slab given an isotropic incident flux is for wavelengths above .6 nm, approximately .20 m for liquid deuterium and between .28 and .32 m for liquid nitrogen-15. The gain factors at .8 nm corresponding to these thicknesses are 15.5 for liquid deuterium and 3.50 for liquid nitrogen-15. The spherical geometry analysis showed that the cold neutron current below 10 MeV of 1.36 n/m 2 -s for the neutron component entering the cavity of a .16 m thick liquid deuterium spherical shell exceeds the neutron leakage current of 1.08 n/cm 2 -s from a .38 m diameter liquid deuterium solid sphere. However, the cold neutron factors for the neutron entering the void region are considerably lower than for the solid sphere case. 15 refs., 24 figs., 7 tabs

  11. REVIEWS OF TOPICAL PROBLEMS Small-angle neutron scattering in structure research of magnetic fluids

    Science.gov (United States)

    Avdeev, Mikhail V.; Aksenov, Viktor L.

    2011-01-01

    A magnetic fluid (MF) is a liquid dispersion of magnetic nanoparticles coated by surfactants for stabilization. The MF research reviewed in this paper is primarily aimed at investigating the atomic and magnetic structure of MF particles and the way they interact under various conditions by means of small-angle neutron scattering (SANS). The presence of a liquid carrier in the structure and the magnetic properties of MFs, which are very close to those of an ideal superparamagnetic system, allow the effective use of the major neutron scattering features: the strong effect of hydrogen-deuterium isotopic substitution and magnetic scattering. An extension of the contrast variation technique to the structure research on polydisperse and superparamagnetic systems is proposed. The cases of noninteracting and interacting particles, the latter with cluster formation taken into account, are considered for non-magnetized and magnetized MFs. The polarized neutron scattering analysis of the structure of magnetized MFs is illustrated by examples. Topical problems in further developing the method to study multiparameter systems are identified.

  12. Small-angle neutron scattering in structure research of magnetic fluids

    International Nuclear Information System (INIS)

    Avdeev, Mikhail V; Aksenov, Viktor L

    2011-01-01

    A magnetic fluid (MF) is a liquid dispersion of magnetic nanoparticles coated by surfactants for stabilization. The MF research reviewed in this paper is primarily aimed at investigating the atomic and magnetic structure of MF particles and the way they interact under various conditions by means of small-angle neutron scattering (SANS). The presence of a liquid carrier in the structure and the magnetic properties of MFs, which are very close to those of an ideal superparamagnetic system, allow the effective use of the major neutron scattering features: the strong effect of hydrogen-deuterium isotopic substitution and magnetic scattering. An extension of the contrast variation technique to the structure research on polydisperse and superparamagnetic systems is proposed. The cases of noninteracting and interacting particles, the latter with cluster formation taken into account, are considered for non-magnetized and magnetized MFs. The polarized neutron scattering analysis of the structure of magnetized MFs is illustrated by examples. Topical problems in further developing the method to study multiparameter systems are identified. (reviews of topical problems)

  13. [Studies of nuclear structure using neutrons and charged particles

    International Nuclear Information System (INIS)

    1989-01-01

    This report contains brief discussions on nuclear research done at Triangle Universities Nuclear Laboratory. The major categories covered are: Fundamental symmetries in the nucleus; Dynamics in very light nuclei; D states in light nuclei; Nucleon-nucleus interactions; Nuclear structure and reactions; and Instrumentation and development

  14. Structure of Light neutron-rich nuclei probing separation energies

    Czech Academy of Sciences Publication Activity Database

    Dlouhý, Zdeněk

    2006-01-01

    Roč. 15, č. 7 (2006), s. 1471-1475 ISSN 0218-3013 Institutional research plan: CEZ:AV0Z10480505 Keywords : magic numbers Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.810, year: 2006

  15. Neutron decoherence imaging for visualizing bulk magnetic domain structures

    Czech Academy of Sciences Publication Activity Database

    Grünzweig, C.; David, C.; Bunk, O.; Dierolf, M.; Frei, G.; Kühne, G.; Kohlbrecher, J.; Schäfer, R.; Lejček, Pavel; Ronnow, H.M.R.; Pfeiffer, F.

    2008-01-01

    Roč. 101, č. 2 (2008), 025504/1-025504/4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z10100520 Keywords : Fe-3%Si single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.180, year: 2008

  16. Neutron Scattering Studies of the Hydration Structure of Li+

    Czech Academy of Sciences Publication Activity Database

    Mason, Philip E.; Ansell, S.; Neilson, G. W.; Rempe, S. B.

    2015-01-01

    Roč. 119, č. 5 (2015), s. 2003-2009 ISSN 1520-6106 Institutional support: RVO:61388963 Keywords : initio molecular dynamics * concentrated aqueous solution * quasi-chemical theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.187, year: 2015

  17. Eysenck Personality Inventory Item Factor Structure.

    Science.gov (United States)

    Comrey, Andrew L.; And Others

    1988-01-01

    Three methods were used to test the factor structure of the Eysenck Personality Inventory administered to 583 Australians. The preferred method was to extract factors by the minimum residual method, use the Tandem Criteria Method, and then rotate that number of factors by the Tandem Criteria I method. (SLD)

  18. Modern neutron diffraction methods as a complementary tool to X-ray crystallography for structure research in materials science

    International Nuclear Information System (INIS)

    Heger, Gernot

    2011-01-01

    Neutron diffraction is a well established method in structure research of crystal structures and magnetic ordering. Whereas X-ray diffraction is the standard method for crystal structure determination yielding the total electron density distribution of crystalline materials, neutron diffraction by their nuclear interaction provides the nuclear density distribution and by magnetic dipole interaction the partial electron density distribution of unpaired electrons. Hence neutron crystallography is of special importance for detailed investigations of light elements with few electrons (most prominent example is the hydrogen distribution), to discriminate between different isotopes (e.g. between H and D), and for the determination of magnetic structures and spin density distributions. But neutrons are rare and expensive. There are only a few reactor and spallation sources around the world and the flux of neutron beams is almost 10 -3 smaller than that of a conventional X-ray tube. Therefore, neutron diffractometers and the strategy of data acquisition have to be optimized. Suitable samples, e.g. mm 3 large single crystals are needed, have to be prepared. Examples of modern instrumentation and methods are presented together with results from investigations on structural phase transitions induced by hydrogen-bond ordering (ferroelectric and proton conductor materials) and on complex magnetic systems. It is shown that the combination of X-ray/synchrotron and neutron diffraction is an important tool for a microscopic understanding of physical properties of crystalline materials. (author)

  19. Systematic structure of the neutron drip-line {sup 22}C nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Ismail, Atef [Fundamental and Applied Sciences Department, Universiti Teknologi Petronas, Bandar Seri Iskandar, 31750 Tronoh, Perak, Malaysia and Department of Physics, Al-Azhar University, 71524 Assiut (Egypt); Cheong, Lee Yen; Yahya, Noorhana [Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Tammam, M. [Department of Physics, Al-Azhar University, 71524 Assiut (Egypt)

    2014-10-24

    In the present work we systematically discuss the nuclear structure of the the heaviest particle-bound carbon isotope, {sup 22}C. The ground state wave function of the carbon isotope is calculated using the {sup 20}C core plus two-valence neutron based on a phenomenological mean-field MF potential. We apply the deduced wave function to provide the nuclear matter density which is necessary in the calculations of the total reaction cross section. Calculations show that there is a reasonable good description of the experimental binding energy BE and root-mean square RMS radius. The exotic structure and configuration of the ground state carbon isotope is explained and a consistent explanation on the two-neutron halo (Borromean) nucleus is given.

  20. Structure investigations on Portland cement paste by small angle neutron scattering

    International Nuclear Information System (INIS)

    Dragolici, C. A.; Len, A.

    2003-01-01

    Portland cement pastes consist of many crystalline and non-crystalline phases in various ranges of sizes (nm and mm scale). The crystalline phases are embedded in amorphous phases of the hydration products. We investigated the structural changes of hydrating phases in the time interval of 1-30 days at Budapest Neutron Center's SANS diffractometer. The small angle neutron scattering of Portland cements prepared with a water-to-cement ratio from 0,3 to 0,8 gave us information about the microstructure changes in the material. Fractals were a suitable way for structure modelling. The variation of fractals size depending on the preparation-to-measurement time interval and water-to-cement ratio could be observed. (authors)

  1. Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

    Science.gov (United States)

    Duboué-Dijon, Elise; Mason, Philip E.; Fischer, Henry E.; Jungwirth, Pavel

    2017-05-01

    The imidazole motif is widely encountered in biomolecules, and its biological role, for instance, as a proton relay, is often linked to its ability to form hydrogen bonds with water molecules. The detailed characterization of the hydration pattern of imidazole and of its changes upon protonation is thus of high interest. Here, we combine neutron scattering experiments with force field simulations to provide an unprecedented characterization of the neutral and protonated imidazole solvation at the atomistic level. We show that neutron diffraction data can be used to assess the quality of the imidazole force field in molecular simulations. Simulations using the CHARMM general force field for imidazole are in excellent agreement with the experimental neutron scattering data and we use them to provide an atomic scale interpretation of the neutron scattering patterns. Upon protonation, we clearly identify the signature of the reorganization in the hydration pattern caused by the change from one H-bond donor and one H-bond acceptor group for imidazole to two H-bond donor groups for imidazolium. We also point the limits of the experiment, which are rather insensitive to details of the H-bond geometry at the deprotonated nitrogen of imidazole and further complement the description of the hydration structure with ab initio molecular dynamics simulations.

  2. Small-angle neutron scattering measurements for the characterization of lithographically prepared structures

    International Nuclear Information System (INIS)

    Wu Wenli; Lin, Eric K.; Lin Qinghuang; Angelopolous, Marie

    2001-01-01

    The continuing decrease in feature sizes in the semiconductor and other nanofabrication industries has placed increasingly stringent demands on current microscopy-based techniques to precisely measure both the critical dimensions and the quality (i.e. line-edge roughness) of these structures. Small-angle neutron scattering (SANS) experiments provide a quick, non-destructive, and quantitative measurement of the three-dimensional shape and quality of lithographically prepared structures as fabricated on a silicon substrate. We demonstrate the application of SANS for the characterization of nanoscale structures using periodic 150 nm parallel lines prepared using standard 248 nm photolithographic processes

  3. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

    Science.gov (United States)

    Rawn, C.J.; Rondinone, A.J.; Chakoumakos, B.C.; Circone, S.; Stern, L.A.; Kirby, S.H.; Ishii, Y.

    2003-01-01

    Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C3H8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters.

  4. Structure of D2O ice VIII from in situ powder neutron diffraction

    International Nuclear Information System (INIS)

    Jorgensen, J.D.; Beyerlein, R.A.; Watanabe, N.; Worlton, T.G.

    1984-01-01

    Structural parameters for D 2 O ice VIII have been determined by Rietveld refinement of time-of-flight powder neutron diffraction data collected in situ at 28 kbar and -4 0 C. The D 2 O molecule has a bond length of 0.973 (11) A and a bond angle of 104(2) 0 . O--DxxxO bonds are slightly bent with an angle of 177(1) 0 . Thus, the D 2 O molecules in ice VIII are essentially identical to those observed in other high pressure ice structures for which accurate structural data are available

  5. REAL STRUCTURE AND RESIDUAL STRESSES IN ADVANCED WELDS DETERMINED BY X-RAY AND NEUTRON DIFFRACTION

    Directory of Open Access Journals (Sweden)

    Karel Trojan

    2017-07-01

    Full Text Available The paper outlines the capability of X-ray diffraction (XRD for evaluation of real structure changes and residual stresses (RS on cross-section of advanced thick welds due to the welding of ferromagnetic plates. The results of neutron diffraction describe a three-dimensional state of RS and also verify previous assumptions of RS redistribution as a result of the surface preparation for determination 2D maps measured by XRD.

  6. Above-threshold structure in {sup 244}Cm neutron-induced fission cross section

    Energy Technology Data Exchange (ETDEWEB)

    Maslov, V.M. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)

    1997-03-01

    The quasi-resonance structure appearing above the fission threshold in neutron-induced fission cross section of {sup 244}Cm(n,f) is interpreted. It is shown to be due to excitation of few-quasiparticle states in fissioning {sup 245}Cm and residual {sup 244}Cm nuclides. The estimate of quasiparticle excitation thresholds in fissioning nuclide {sup 245}Cm is consistent with pairing gap and fission barrier parameters. (author)

  7. The structure of NH4F as determined by neutron and X-ray diffraction

    NARCIS (Netherlands)

    Adrian, H.W.W.; Feil, D.

    1969-01-01

    Neutron and X-ray intensities of NH4F were measured at -196°C and -155°C respectively. The wurtzite type structure and space group P63mc were confirmed. The displacement of the two h.c.p. sublattices, formed by each of the F-- and NH+4- ions, is such that all bond-distances are equivalent. The N-H

  8. Small angle neutron scattering form polymer melts: structural investigation and phase behaviour

    International Nuclear Information System (INIS)

    Ertugrul, O.

    2004-01-01

    The Small-Angle Neutron Scattering (SANS) techniques have been used to study the structural properties and phase behavior of polymer melts. A model based on Random Phase Approximation (RPA) is proposed to predict the experimental data. By fitting the model to data we could be able to obtain radius of gyration (a measure of size of a polymer) and phase transition for the sample. (author)

  9. Scanning Wide-Angle Neutron Diffraction and Its Application to Local Structures Investigations in Stainless Steel

    Science.gov (United States)

    Ohoyama, Kenji; Isawa, Kazuyuki; Yamada, Kazuyoshi

    2007-12-01

    We applied a spatial scanning measurement technique to neutron diffraction on a powder diffractometer, and performed scanning wide-angle neutron diffraction (SWND) experiments to investigate local structures of materials. The SWND technique has an advantage that one can observe a diffraction pattern over a wide scattering angle range, so that the positional dependence of local crystal structures can be measured for practical durations. Moreover, because neutrons have a larger penetration depth, on the order of a few cm, than X-rays, the SWND technique provides structural information even in internal regions of materials. We succeeded in observing positional dependence of diffraction patterns from small areas (approximately 2 × 5 mm2) of a type-304 stainless steel plate with a dimension of 19.5 × 50 × 4.7 mm3 subjected to a mechanical tensile strain of 90% of the 0.2% offset yield strength. In the SWND experiments, we confirmed that the crystallographic circumstance in the strain-loaded type-304 stainless steel is not homogeneous. For instance, we observed positional deviation in the grain direction of the master-alloy austenite phase, and local distribution of the stress induced martensite phase. The SWND technique is a particularly important probe for estimating the stress-induced phase, because it non-destructively observes even the inside of bulk materials.

  10. Impact of the neutron detector choice on Bell and Glasstone spatial correction factor for subcriticality measurement

    International Nuclear Information System (INIS)

    Talamo, Alberto; Gohar, Y.; Cao, Y.; Zhong, Z.; Kiyavitskaya, H.; Bournos, V.; Fokov, Y.; Routkovskaya, C.

    2012-01-01

    In subcritical assemblies, the Bell and Glasstone spatial correction factor is used to correct the measured reactivity from different detector positions. In addition to the measuring position, several other parameters affect the correction factor: the detector material, the detector size, and the energy-angle distribution of source neutrons. The effective multiplication factor calculated by computer codes in criticality mode slightly differs from the average value obtained from the measurements in the different experimental channels of the subcritical assembly, which are corrected by the Bell and Glasstone spatial correction factor. Generally, this difference is due to (1) neutron counting errors; (2) geometrical imperfections, which are not simulated in the calculational model, and (3) quantities and distributions of material impurities, which are missing from the material definitions. This work examines these issues and it focuses on the detector choice and the calculation methodologies. The work investigated the YALINA Booster subcritical assembly of Belarus, which has been operated with three different fuel enrichments in the fast zone either: high (90%) and medium (36%), medium (36%), or low (21%) enriched uranium fuel.

  11. Investigation of the single Particle Structure of the neutron-rich Sodium Isotopes $^{27-31}\\!$Na

    CERN Multimedia

    2002-01-01

    We propose to study the single particle structure of the neutron-rich isotopes $^{27-31}\\!$Na. These isotopes will be investigated via neutron pickup reactions in inverse kinematics on a deuterium and a beryllium target. Scattered beam particles and transfer products are detected in a position sensitive detector located around 0$^\\circ$. De-excitation $\\gamma$-rays emitted after an excited state has been populated will be registered by the MINIBALL Germanium array. The results will shed new light on the structure of the neutron-rich sodium isotopes and especially on the region of strong deformation around the N=20 nucleus $^{31}\\!$Na.

  12. Light-Induced Structural Flexibility of Thylakoid Membranes - Investigated using Small-Angle X-ray and Neutron Scattering

    OpenAIRE

    Aagaard, Thomas Helverskov

    2005-01-01

    Using small-angle x-ray and neutron scattering the light-induced structural changes in pea thylakoids have been investigated. It is shown that light-induced shinkage in the thylakoids is connected to photosynthetic electron transduction. Using small-angle x-ray and neutron scattering the light-induced structural changes in pea thylakoids have been investigated. It is shown that light-induced shinkage in the thylakoids is connected to photosynthetic electron transduction.

  13. Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data.

    Science.gov (United States)

    Leech, Charlotte K; Fabbiani, Francesca P A; Shankland, Kenneth; David, William I F; Ibberson, Richard M

    2008-02-01

    The compounds chlorothiazide and hydrochlorothiazide (crystalline form II) have been studied in their fully hydrogenous forms by powder neutron diffraction on the GEM diffractometer. The results of joint Rietveld refinement of the structures against multi-bank neutron and single-bank X-ray powder data are reported and show that accurate and precise structural information can be obtained from polycrystalline molecular organic materials by this route.

  14. Defect structures in copper and gold irradiated with fast neutrons, 14 MeV neutrons and 600--800 MeV protons

    International Nuclear Information System (INIS)

    Horsewell, A.; Singh, B.N.; Sommer, W.F.; Heinisch, H.L.

    1989-01-01

    Copper and Gold have been irradiated with fast neutrons (mixed spectrum thermal reactor), 14 MeV neutrons (RTNS-II) and 600--800 MeV protons (PIREX II ampersand LAMPF) at 300--373 K over a dose range of 10 21 --10 24 particles·m -2 . Defect cluster concentrations and sizes have been obtained by transmission electron microscopy. The variation in cascade damage structures resulting from a change in average recoil energy from 10 4 to 10 6 eV is shown. 4 refs., 1 fig., 3 tabs

  15. Modulated structure of La.sub.2./sub.Co.sub.1.7./sub. from neutron and X-ray diffraction data

    Czech Academy of Sciences Publication Activity Database

    Dušek, Michal; Chapuis, C.; Schobinger-Papamantellos, P.; Wilkinson, C.; Petříček, Václav; Tung, L. D.; Buschow, K. H. J.

    2000-01-01

    Roč. 56, - (2000), s. 959-971 ISSN 0108-7681 R&D Projects: GA AV ČR IAA1010901; GA ČR GA202/00/0645 Institutional research plan: CEZ:AV0Z1010914 Keywords : modulated structure * single-crystal neutron and X-ray difraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.734, year: 2000

  16. Factors affecting neutron measurements and calculations. Part C. Trace element concentrations in granite and their impact on thermal neutron activation

    International Nuclear Information System (INIS)

    Ruehm, Werner; Huber, Thomas; Nolte, Eckehart; Kato, Kazuo; Imanaka, Tetsuji; Egbert, Stephen D.

    2005-01-01

    Trace elements such as Li, B, Sm, and Gd can, despite their low elemental concentration in mineral materials, influence thermal neutron activation in Hiroshima and Nagasaki samples, due to their high thermal neutron absorption cross sections. This was demonstrated for a granite core, where the addition of those trace elements to the elemental composition of granite reduces the production of 152 Eu by some 25% at a depth of 25 cm from the surface. If typical concentrations of those trace elements are added to DS02 reference soil, however, the production of 152 Eu one meter above ground is not changed significantly, because of the high water content of the soil. This indicates that DS02 soil represents a reasonable reference material for the air-over-ground transport calculations. It must be kept in mind, however, that the local environment of any sample investigated for thermal neutron activation might be characterized by other elemental compositions. In particular, trace element and hydrogen concentrations could be considerably different from those used for DS02 reference soil. As an example it was demonstrated that in a granite gravestone thermal neutron activation of 36 Cl close to the surface might be, in the worst case, reduced by some 30%, due to increased local granite concentration in this type of environment. Beside other parameters such as, for example, individual sample geometry, the variability of trace elements in soil might be one reason for the variability that is observed in the individual thermal neutron activation measurements (Gold 1995). It is necessary, therefore, to carefully model the exposure geometry of the exposed material, its chemical composition, and the surrounding interface materials in order to obtain the best possible agreement in comparisons between calculated and measured data for thermal neutrons. (author)

  17. The Precision Measurement of the Neutron Spin Structure Function Using Polarized HE-3 Target

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X

    2004-01-05

    Using a 48.6 GeV polarized electron beam scattering off a polarized {sup 3}He target at Stanford Linear Accelerator Centre (SLAC), they measured the neutron spin structure function g{sub 1}{sup n} over kinematic(x) ranging 0.014 < x <0.7 and 1 < Q{sup 2} < 17GeV{sup 2}. The measurement gave the integral result over the neutron spin structure function {integral}{sub 0.014}{sup 0.7} g{sub 1}{sup n}(x)dx = -0.036 {+-} 0.004(stat) {+-} 0.005(syst) at an average Q{sup 2} = 5GeV{sup 2}. Along with the proton results from SLAC E143 experiment (0.03 < x) and SMC experiment (0.014 < x < 0.03), they find the Bjorken sum rule appears to be largely saturated by the data integrated down to x of 0.014. However, they observe relatively large values for g{sub 1}{sup n} at low x. The result calls into question the usual methods (Regge theory) for extrapolating to x = 0 to find the full neutron integral {integral}{sub 0}{sup t} g{sub 1}{sup n}(x) dx, needed for testing the Quark-Parton Model (QMP).

  18. Spin structure of the neutron ({sup 3}He) and the Bjoerken sum rule

    Energy Technology Data Exchange (ETDEWEB)

    Meziani, Z.E. [Stanford Univ., CA (United States)

    1994-12-01

    A first measurement of the longitudinal asymmetry of deep-inelastic scattering of polarized electrons from a polarized {sup 3}He target at energies ranging from 19 to 26 GeV has been performed at the Stanford Linear Accelerator Center (SLAC). The spin-structure function of the neutron g{sub 1}{sup n} has been extracted from the measured asymmetries. The Quark Parton Model (QPM) interpretation of the nucleon spin-structure function is examined in light of the new results. A test of the Ellis-Jaffe sum rule (E-J) on the neutron is performed at high momentum transfer and found to be satisfied. Furthermore, combining the proton results of the European Muon Collaboration (EMC) and the neutron results of E-142, the Bjoerken sum rule test is carried at high Q{sup 2} where higher order Perturbative Quantum Chromodynamics (PQCD) corrections and higher-twist corrections are smaller. The sum rule is saturated to within one standard deviation.

  19. Observation of magnetic flux line structures in superconductors by small-angle neutron diffraction

    International Nuclear Information System (INIS)

    Forgan, E.M.; Cubitt, R.; Lee, S.L.; Paul, D.McK.; Mook, H.A.; Yethiraj, McK.; Bishop, D.A.; Gammel, P.L.; Kleiman, R.N.

    1993-01-01

    We describe the recent uses of the technique of small-angle neutron diffraction to investigate flux-line structures within the bulk of superconductors in the mixed state. Despite the small signal in superconductors with a long penetration depth, useful results have been obtained in both High-T c and heavy-fermion superconductors. These can give information about the perfection of the flux lattice, the values of characteristics lengths, the influence of crystal anisotropy and defects on the flux lattice structure and orientation, and on temperature and flux lattice melting effects. (orig.)

  20. Investigation of the cluster structure in aqueous suspensions of nanodiamonds by small-angle neutron scattering

    Directory of Open Access Journals (Sweden)

    L. A. Bulavin

    2015-07-01

    Full Text Available The paper presents the results of the structural study of various types of the water-detonation nanodiamond liquid systems, which are obtained by small-angle scattering of thermal neutrons. It was shown that in the mass fraction range (0.3 - 1.8 % the experimental spectra are well described by a two-level model of unified exponential/power-law approach. The resulting structural parameters allowed us to estimate the aggregation number in the studied systems. Sizes of the nanodiamond particles and their clusters are found as well as the fractal dimension of the latter.

  1. Investigation of the cluster structure in aqueous suspensions of nanodiamonds by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Bulavin, L.A.; Tomchuk, O.V.; Avdeev, M.V.

    2015-01-01

    The paper presents the results of the structural study of various types of the water-detonation nanodiamond liquid systems, which are obtained by small-angle scattering of thermal neutrons. It was shown that in the mass fraction range (0.3/1.8) % the experimental spectra are well described by a two-level model of unified exponential/power-law approach. The resulting structural parameters allowed us to estimate the aggregation number in the studied systems. Sizes of the nanodiamond particles and their clusters are found as well as the fractal dimension of the latter

  2. Structure and Spatial Distribution of Ge Nanocrystals Subjected to Fast Neutron Irradiation

    Directory of Open Access Journals (Sweden)

    Alexander N. Ionov

    2011-07-01

    Full Text Available The influence of fast neutron irradiation on the structure and spatial distribution of Ge nanocrystals (NC embedded in an amorphous SiO2 matrix has been studied. The investigation was conducted by means of laser Raman Scattering (RS, High Resolution Transmission Electron Microscopy (HR-TEM and X-ray photoelectron spectroscopy (XPS. The irradiation of Ge- NC samples by a high dose of fast neutrons lead to a partial destruction of the nanocrystals. Full reconstruction of crystallinity was achieved after annealing the radiation damage at 8000C, which resulted in full restoration of the RS spectrum. HR-TEM images show, however, that the spatial distributions of Ge-NC changed as a result of irradiation and annealing. A sharp decrease in NC distribution towards the SiO2 surface has been observed. This was accompanied by XPS detection of Ge oxides and elemental Ge within both the surface and subsurface region.

  3. Neutron powder diffraction for complex magnetic structures - some examples from research in uranium intermetallics

    International Nuclear Information System (INIS)

    Robinson, R.A.

    2000-01-01

    Full text: Since its inception after the second-world war, neutron scattering has been the method of choice for solving magnetic structures. I will review the type of information that one can extract from neutron powder diffraction with modern low- and high-resolution instruments, and the use and misuse of Rietveld refinement methods. It is essential to understand and use the polarisation dependence of the magnetic cross-section, whose systematic-absence rules are more complicated than those in the standard crystallography tables, and it is also often beneficial to use symmetry arguments based on Shubnikov groups or irreducible representations. To illustrate these ideas, the specific cases of the noncollinear antiferromagnets UPdSn, U 2 Pd 2 Sn and U 2 Pd 2 In will be discussed

  4. Neutron diffraction and ultrasonic studies of spin-slip structures in holmium

    Energy Technology Data Exchange (ETDEWEB)

    Venter, Andrew M. [Atomic Energy Corporation of S A (Ltd), P O Box 582, Pretoria (South Africa); Du Plessis, Paul de V [Physics Department, University of the Witwatersrand, Private Bag 3, PO Wits 2050, Johannesburg (South Africa)

    1997-06-16

    Spin-slip behaviour in high-purity holmium single crystals is characterized by neutron diffraction and ultrasonic velocity and attenuation measurements as a function of temperature and of magnetic field applied along b, c, and a axes. Neutron diffraction measurements of intensity and turn angle give information on wave vector lock-in effects for various spin-slip structures in applied fields. These findings are supplemented with ultrasonic studies of the elastic constants C{sub 33} and C{sub 44} and corresponding attenuation coefficients {alpha}{sub 33} and {alpha}{sub 44}. Various phase diagrams are presented and results compared with experiments by other groups and with some theoretical predictions. (author)

  5. Neutron diffraction potentialities at the IBR-2 pulsed reactor for nondestructive testing of structural materials

    International Nuclear Information System (INIS)

    Balagurov, A.M.; Bokuchava, G.D.; Papushkin, I.V.; Sumin, V.V.; Venter, A.M.

    2010-01-01

    Neutron diffraction is widely used for investigations of residual and applied stresses in bulk materials and components. The most important factor in these investigations is the high penetration depth of neutrons (up to 2 cm for steel). At the IBR-2 pulsed reactor in Dubna the Fourier stress diffractometer (FSD) has been constructed to optimize the internal stress measurements. The FSD design satisfies the requirements of high luminosity, high resolution and specific sample environment. The collimator system guarantees a minimum gauge volume of 2x2x2 mm. A mechanical testing machine allows in-situ tension or compression measurements up to a load of 20 kN and sample temperatures up to 800 deg C. In the paper the current status of FSD is reported and potentialities are demonstrated with several examples of investigations performed

  6. The Factor Structure in Equity Options

    DEFF Research Database (Denmark)

    Christoffersen, Peter; Fournier, Mathieu; Jacobs, Kris

    Equity options display a strong factor structure. The first principal components of the equity volatility levels, skews, and term structures explain a substantial fraction of the cross-sectional variation. Furthermore, these principal components are highly correlated with the S&P500 index option ...

  7. The Factor Structure in Equity Options

    DEFF Research Database (Denmark)

    Christoffersen, Peter; Fournier, Mathieu; Jacobs, Kris

    2018-01-01

    Equity options display a strong factor structure. The first principal components of the equity volatility levels, skews, and term structures explain a substantial fraction of the crosssectional variation. Furthermore, these principal components are highly correlated with the S&P 500 index option ...

  8. Factor Analytic Structure of the MCMI Items.

    Science.gov (United States)

    Choca, James; And Others

    The factor analytic studies that have been done with the Millon Clinical Multiaxial Inventory (MCMI), a 175-item paper-and-pencil test designed to evaluate symptomology in psychiatric patients, have been problematic in that the test's high inter-scale correlation could lead to an artificially robust factor structure. The present investigation…

  9. NAC transcription factors: structurally distinct, functionally diverse

    DEFF Research Database (Denmark)

    Olsen, Addie Nina; Ernst, Heidi A; Leggio, Leila Lo

    2005-01-01

    level and localization, and to the first indications of NAC participation in transcription factor networks. The recent determination of the DNA and protein binding NAC domain structure offers insight into the molecular functions of the protein family. Research into NAC transcription factors has...

  10. Dancoff factors of unit cells in cluster geometry with partial absorption of neutrons

    International Nuclear Information System (INIS)

    Rodrigues, Leticia Jenisch

    2011-01-01

    In its classical formulation, the Dancoff factor for a perfectly absorbing fuel rod is defined as the relative reduction in the incurrent of resonance neutrons into the rod in the presence of neighboring rods, as compared to the incurrent into a single fuel rod immersed in an infinite moderator. Alternatively, this factor can be viewed as the probability that a neutron emerging from the surface of a fuel rod will enter another fuel rod without any collision in the moderator or cladding. For perfectly absorbing fuel these definitions are equivalent. In the last years, several works appeared in literature reporting improvements in the calculation of Dancoff factors, using both the classical and the collision probability definitions. In this work, we step further reporting Dancoff factors for perfectly absorbing (Black) and partially absorbing (Grey) fuel rods calculated by the collision probability method, in cluster cells with square outer boundaries. In order to validate the results, comparisons are made with the equivalent cylindricalized cell in hypothetical test cases. The calculation is performed considering specularly reflecting boundary conditions, for the square lattice, and diffusive reflecting boundary conditions, for the cylindrical geometry. The results show the expected asymptotic behavior of the solution with increasing cell sizes. In addition, Dancoff factors are computed for the Canadian cells CANDU-37 and CANFLEX by the Monte Carlo and Direct methods. Finally, the effective multiplication factors, k eff , for these cells (cluster cell with square outer boundaries and the equivalent cylindricalized cell) are also computed, and the differences reported for the cases using the perfect and partial absorption assumptions. (author)

  11. Interplay between structure and magnetism in HoxPr1-x alloys. 1. Neutron scattering

    DEFF Research Database (Denmark)

    Goff, J.P.; Bryn-Jacobsen, C.; McMorrow, D.F.

    1998-01-01

    The structural and the magnetic ordering in thin-film HoxPr1-x alloys have been studied using neutron-and x-ray-diffraction techniques. As the concentration of Ho decreases the alloys adopt hexagonal-close-packed (hcp), Sm, and double hexagonal-close-packed (dhcp) crystal structures. The results...... show enhanced occupation of the cubic sites by Pr in the Sm and dhcp phases. The magnetic behavior is found to be very different in the three crystalline phases. The hcp samples form basal-plane spirals and the alloys with the Sm structure form a commensurate magnetic structure with the same...... periodicity as the magnetic order on the hexagonal sites in Sm metal, but the moments are confined to the basal plane. At low temperatures both Ho and Pr are found to adopt their full saturation moments in these phases. A Pr thin film is found to order with a similar magnetic structure to bulk Pr. However...

  12. A Measurement of the neutron electric form factor at very large momentum transfer using polaried electrions scattering from a polarized helium-3 target

    Energy Technology Data Exchange (ETDEWEB)

    Kelleher, Aidan [College of William and Mary, Williamsburg, VA (United States)

    2010-02-01

    Knowledge of the electric and magnetic elastic form factors of the nucleon is essential for an understanding of nucleon structure. Of the form factors, the electric form factor of the neutron has been measured over the smallest range in Q2 and with the lowest precision. Jefferson Lab experiment 02-013 used a novel new polarized 3 He target to nearly double the range of momentum transfer in which the neutron form factor has been studied and to measure it with much higher precision. Polarized electrons were scattered off this target, and both the scattered electron and neutron were detected. Gn E was measured to be 0.0242 ± 0.0020(stat) ± 0.0061(sys) and 0.0247 ± 0.0029(stat) ± 0.0031(sys) at Q2 = 1.7 and 2.5 GeV2 , respectively.

  13. Structural Formation of Huntingtin Exon 1 Aggregates Probed by Small-Angle Neutron Scattering

    Science.gov (United States)

    Stanley, Christopher B.; Perevozchikova, Tatiana; Berthelier, Valerie

    2011-01-01

    In several neurodegenerative disorders, including Huntington's disease, aspects concerning the earliest of protein structures that form along the aggregation pathway have increasingly gained attention because these particular species are likely to be neurotoxic. We used time-resolved small-angle neutron scattering to probe in solution these transient structures formed by peptides having the N-terminal sequence context of mutant huntingtin exon 1. We obtained snapshots of the formed aggregates as the kinetic reaction ensued to yield quantitative information on their size and mass. At the early stage, small precursor species with an initial radius of gyration of 16.1 ± 5.9 Å and average mass of a dimer to trimer were monitored. Structural growth was treated as two modes with a transition from three-dimensional early aggregate formation to two-dimensional fibril growth and association. Our small-angle neutron scattering results on the internal structure of the mature fibrils demonstrate loose packing with ∼1 peptide per 4.75 Å β-sheet repeat distance, which is shown to be quantitatively consistent with a β-helix model. This research provides what we believe to be new insights into the structures forming along the pathway of huntingtin exon 1 aggregation and should assist in determining the role that precursors play in neuronal toxicity. PMID:21575585

  14. Neutron μstiX. Micrometer structure investigation with real space and reciprocal space crossover using neutron imaging detectors

    Energy Technology Data Exchange (ETDEWEB)

    Muehlbauer, Martin Johann

    2013-07-19

    This work is concerned with the investigation of inhomogeneities in materials with length scales of the order of micrometers by means of neutrons. In real space this is done by neutron imaging methods measuring the transmitted signal while for Ultra Small Angle Neutron Scattering (USANS) the signal of the scattered neutrons is assigned to a spatial frequency distribution in reciprocal space. The part about neutron imaging is focused on time-resolved neutron radiography on an injection nozzle similar to the ones used for modern diesel truck engines. The associated experiments have been carried out at the neutron imaging facility ANTARES at the Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II) of the Technische Universitaet Muenchen in Garching near Munich. Especially the demands on the detector system were high. Therefore different detection methods and detector configurations have been tested. On the one hand the detector should allow for a time resolution high enough to record the injection process lasting about 900 μs. On the other hand it needed to offer a spatial resolution sufficient to resolve the test oil inside the spray hole of a maximum diameter of less than 200 μm. An advanced aim of this work is the visualization of cavitation phenomena which may occur during the injection process inside of the spray hole. In order to operate the injector at conditions as close to reality as possible a high pressure pump supplying the injector with test oil at a pressure of 1600 bar was needed in addition to the specially developed control electronics, the recuperation tank and the exhaust gas equipment for the escaping atomized spray. A second part of the work describes USANS experiments based on the idea of Dr. Roland Gaehler and carried out at the instrument D11 at the Institut Laue-Langevin in Grenoble. For this purpose a specific multi-beam geometry was applied, where a multi-slit aperture replaced the standard source aperture and the sample aperture was

  15. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  16. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2010-01-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  17. Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction.

    Science.gov (United States)

    Fortes, A Dominic

    2015-07-01

    Time-of-flight neutron powder diffraction data have been measured from ∼90 mol% deuterated isotopologues of Na2MoO4·2H2O and Na2WO4·2H2O at 295 K to a resolution of sin (θ)/λ = 0.77 Å(-1). The use of neutrons has allowed refinement of structural parameters with a precision that varies by a factor of two from the heaviest to the lightest atoms; this contrasts with the X-ray based refinements where precision may be > 20× poorer for O atoms in the presence of atoms such as Mo and W. The accuracy and precision of inter-atomic distances and angles are in excellent agreement with recent X-ray single-crystal structure refinements whilst also completing our view of the hydrogen-bond geometry to the same degree of statistical certainty. The two structures are isotypic, space-group Pbca, with all atoms occupying general positions, being comprised of edge- and corner-sharing NaO5 and NaO6 polyhedra that form layers parallel with (010) inter-leaved with planes of XO4 (X = Mo, W) tetra-hedra that are linked by chains of water mol-ecules along [100] and [001]. The complete structure is identical with the previously described molybdate [Capitelli et al. (2006 ▸). Asian J. Chem. 18, 2856-2860] but shows that the purported three-centred inter-action involving one of the water mol-ecules in the tungstate [Farrugia (2007 ▸). Acta Cryst. E63, i142] is in fact an ordinary two-centred 'linear' hydrogen bond.

  18. The effect of neutron irradiation on the structure and properties of carbon-carbon composite materials

    International Nuclear Information System (INIS)

    Burchell, T.D.; Eatherly, W.P.; Robbins, J.M.; Strizak, J.P.

    1991-01-01

    Carbon-based materials are an attractive choice for fusion reactor plasma facing components (PFCs) because of their low atomic number, superior thermal shock resistance, and low neutron activation. Next generation plasma fusion reactors, such as the International Thermonuclear Experimental Reactor (ITER), will require advanced carbon-carbon composite materials possessing extremely high thermal conductivity to manage the anticipated severe heat loads. Moreover, ignition machines such as ITER will produce high neutron fluxes. Consequently, the influence of neutron damage on the structure and properties of carbon-carbon composite materials must be evaluated. Data from an irradiation experiment are reported and discussed here. Fusion relevant graphite and carbon-carbon composites were irradiated in a target capsule in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). A peak damage dose of 1.59 dpa at 600 degrees C was attained. The carbon materials irradiated included nuclear graphite grade H-451 and one-, two-, and three-directional carbon-carbon composite materials. Dimensional changes, thermal conductivity and strength are reported for the materials examined. The influence of fiber type, architecture, and heat treatment temperature on properties and irradiation behavior are reported. Carbon-Carbon composite dimensional changes are interpreted in terms of simple microstructural models

  19. Evaluation of toughness degradation by small punch (SP) tests for neutron irradiated structural steels

    International Nuclear Information System (INIS)

    Misawa, Toshihei; Hamaguchi, Yoshikazu; Kimura, Akihiko; Eto, Motokuni; Suzuki, Masahide; Nakajima, Nobuya.

    1992-01-01

    The small punch (SP) test as one of the useful small specimen testing technique (SSTT) has been developed to evaluate the fracture toughness, ductile-brittle transition temperature (DBTT) and tensile properties for neutron irradiated structural materials. The SP tests using the miniaturized specimens of φ3 mm TEM disk and 10 mm 2 coupon were performed for six kinds of ferritic steels of F-82, F-82H, HT-9, JFMS, 2.25-1Mo and SQV2A. It was shown that the temperature dependence of SP fracture energies with scatter in miniaturized testing can give reliable information on the DBTT by use of the statistical analysis based on the Weibull distribution. A good correlation between the DBTT of the SP tests and that of the standard CVN test has been obtained for the various nuclear ferritic steels. The SP test was performed for cryogenic austenitic steels as a way of evaluating elastic-plastic fracture toughness, J IC , on the basis of a universal empirical relationship between J IC and SP equivalent fracture strain, ε-bar qf . The SP testing using the neutron irradiated specimens of 2.25Cr-1Mo, F-82, F-82H and HT-9 steels was successfully applied and presented the neutron radiation induced changes on the DBTT, fracture toughness and tensile properties. (author)

  20. The effect of neutron irradiation on the structure and properties of carbon-carbon composite materials

    Science.gov (United States)

    Burchell, T. D.; Eatherly, W. P.; Robbins, J. M.; Strizak, J. P.

    1992-09-01

    Carbon-based materials are an attractive choice for fusion reactor plasma facing components (PFCs) because of their low atomic number, superior thermal shock resistance, and low neutron activation. Next generation plasma fusion reactors, such as the international thermonuclear experimental reactor (ITER), will require advanced carbon-carbon composite materials possessing extremely high thermal conductivity to manage the anticipated severe heat loads. Moreover, ignition machines such as ITER wilt produce high neutron fluxes. Consequently, the influence of neutron damage on the structure and properties of carbon-carbon composite materials must be evaluated. Data from an irradiation experiment are reported and discussed here. Fusion relevant graphite and carbon-carbon composites were irradiated in a target capsule in the high flux isotope reactor (HFIR) at Oak Ridge National Laboratory (ORNL). A peak damage dose of 1.58 dpa (displacements per atom) at 600°C was attained. The carbon materials irradiated included nuclear graphite grade H-451 and one-, two-, and three-directional carbon-carbon composite materials. Dimensional changes and strength are reported for the materials examined. The influence of fiber type, architecture, and heat treatment temperature on properties and irradiation behavior are reported. Carbon-carbon composite dimensional changes are interpreted in terms of simple microstructural models.

  1. The microscopic investigation of structures of moving flux lines by neutron and muon techniques

    International Nuclear Information System (INIS)

    Forgan, E.M.; Charalambous, D.; Kealey, P.G.

    2002-01-01

    We have used a variety of microscopic techniques to reveal the structure and motion of flux line arrangements, when the flux lines in low T c type II superconductors are caused to move by a transport current. Using small-angle neutron scattering by the flux line lattice (FLL), we are able to demonstrate directly the alignment by motion of the nearest-neighbor FLL direction. This tends to be parallel to the direction of flux line motion, as had been suspected from two-dimensional simulations. We also see the destruction of the ordered FLL by plastic flow and the bending of flux lines. Another technique that our collaboration has employed is the direct measurement of flux line motion, using the ultra-high-resolution spectroscopy of the neutron spin-echo technique to observe the energy change of neutrons diffracted by moving flux lines. The muon spin rotation (μSR) technique gives the distribution of values of magnetic field within the FLL. We have recently succeeded in performing μSR measurements while the FLL is moving. Such measurements give complementary information about the local speed and orientation of the FLL motion. We conclude by discussing the possible application of this technique to thin film superconductors. (author)

  2. Effective quality factors for neutrons based on the revised ICRP/ICRU recommendations

    International Nuclear Information System (INIS)

    Veinot, K. G.; Hertel, N. E.

    2005-01-01

    The quality factor (Q) is intended to relate the biological effectiveness of a radiation to the absorbed dose delivered in tissue. Quality factors are defined as a function of the unrestricted linear energy transfer (L) relationship in water and are used with operational quantities. Radiation weighting factors (wR) are used in protection quantities to take into account total radiation detriment. While the International Commission on Radiological Protection (ICRP) defines the Q(L) relationship, the International Commission on Radiation Units and Measurements (ICRU) recommends the charged particle stopping power and range data. If either of these data recommendations change, the quality factors must be recomputed. The latest guidance from both organisations applicable to neutron quality factors are the ICRP Publication 60 (Q(L) relationship) and the ICRU Report 49 (stopping power and range data). In the present study, absorbed dose conversion coefficients (pGy cm 2 ) were calculated for two operational quantities defined by the ICRU - the ambient absorbed dose and the personal absorbed dose. Dose-equivalent (pSv cm 2 ) conversion coefficients were also computed using mean quality factors based on ICRP 60 and ICRU 49 recommendations. Effective quality factors were then calculated from the ratio of the dose-equivalent to the absorbed dose conversion coefficients for both the personal dose-equivalent and ambient dose-equivalent and compared to values reported in the literature. (authors)

  3. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering

    Directory of Open Access Journals (Sweden)

    Norbert Kučerka

    2015-09-01

    Full Text Available We review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition. From model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid’s different moieties (e.g., acyl chains, headgroups, backbones, etc..

  4. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering.

    Science.gov (United States)

    Kučerka, Norbert; Heberle, Frederick A; Pan, Jianjun; Katsaras, John

    2015-09-21

    We review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition). From model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid's different moieties (e.g., acyl chains, headgroups, backbones, etc.).

  5. High pressure neutron diffraction studies of the magnetic structures of Tb, Ho and Er

    International Nuclear Information System (INIS)

    Kawano, Shinji; Achiwa, Norio; Onodera, Akifumi; Nakai, Yutaka; Lebech, Bente.

    1993-01-01

    Pressure effects of the magnetic structures of Tb, Ho and Er have been studied by neutron diffraction using a newly-developed clamp type pressure cell. For Tb the pressure dependence of the turn angle in a helical phase shows an enhancement of its value, particularly in low temperatures with increasing pressure but no lock-in feature. Linear coefficients of the magnetic transition temperatures to pressure are obtained. For Ho the turn angle is increased by pressure and shows an almost linear temperature dependence at high temperatures and lock-in features at low temperatures. For Er the high pressure results reveal that the transition to a conical structure at low temperatures is suppressed and that a cycloidal structure with a modulation vector Q = 2/7(2π/c) persists down to 4.5 K, similar to a three up four down structure in Tm. (author)

  6. The Structure of Ethylbenzene, Styrene and Phenylacetylene Determined by Total Neutron Scattering.

    Science.gov (United States)

    Szala-Bilnik, Joanna; Falkowska, Marta; Bowron, Daniel T; Hardacre, Christopher; Youngs, Tristan G A

    2017-09-20

    Organic solvents such as phenylacetylene, styrene and ethylbenzene are widely used in industrial processes, especially in the production of rubber or thermoplastics. Despite their important applications detailed knowledge about their structure is limited. In this paper the structures of these three aromatic solvents were investigated using neutron diffraction. The results show that many of their structural characteristics are similar, although the structure of phenylacetylene is more ordered and has a smaller solvation sphere than either ethylbenzene or styrene. Two regions within the first coordination sphere, in which the surrounding molecules show different preferable orientations with respect to the central molecule, were found for each liquid. Additionally, the localisation of the aliphatic chains reveals that they tend to favour closer interactions with each other than to the aromatic rings of the adjacent molecules. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Structural Integrity Evaluation of Cold Neutron Laboratory Building by Design Change of Guide Shielding Room

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Sangik; Kim, Youngki; Kim, Harkrho

    2007-06-15

    This report summarizes the results of the structural integrity evaluation for the cold neutron laboratory building by design change of guide shielding room. The design of the guide shielding room was changed by making its structure members in normal concrete (2.3 g/cc) instead of heavy concrete (3.5 g/cc) because the heavy concrete could be not supplied to meet its design specification. Therefore, it was decided that the guide shielding room is made of the normal concrete. And, the shielding performance of the normal concrete was recalculated to confirm satisfying its design specification, which is of a 9000 zone according to HANARO radiation region classification. The change makes the shielding wall thicker than existing design, and then it is caused to qualify the structural integrity evaluation of the CNLB. Finally, the structural integrity of the CNLB was re-evaluated by considering the design change of the guide shielding room.

  8. Neutron spectroscopic factors of 55Ni hole-states from (p,d) transfer reactions

    International Nuclear Information System (INIS)

    Sanetullaev, A.; Tsang, M.B.; Lynch, W.G.; Lee, Jenny; Bazin, D.; Chan, K.P.; Coupland, D.; Henzl, V.; Henzlova, D.; Kilburn, M.; Rogers, A.M.; Sun, Z.Y.; Youngs, M.; Charity, R.J.; Sobotka, L.G.; Famiano, M.; Hudan, S.; Shapira, D.; Peters, W.A.; Barbieri, C.

    2014-01-01

    Spectroscopic information has been extracted on the hole-states of 55 Ni, the least known of the quartet of nuclei ( 55 Ni, 57 Ni, 55 Co and 57 Cu), one nucleon away from 56 Ni, the N=Z=28 double magic nucleus. Using the 1 H( 56 Ni,d) 55 Ni transfer reaction in inverse kinematics, neutron spectroscopic factors, spins and parities have been extracted for the f 7/2 , p 3/2 and the s 1/2 hole-states of 55 Ni. These new data provide a benchmark for large basis calculations that include nucleonic orbits in both the sd and pf shells. State of the art calculations have been performed to describe the excitation energies and spectroscopic factors of the s 1/2 hole-state below Fermi energy.

  9. Neutron spectroscopic factors of 55Ni hole-states from (p,d transfer reactions

    Directory of Open Access Journals (Sweden)

    A. Sanetullaev

    2014-09-01

    Full Text Available Spectroscopic information has been extracted on the hole-states of 55Ni, the least known of the quartet of nuclei (55Ni, 57Ni, 55Co and 57Cu, one nucleon away from 56Ni, the N=Z=28 double magic nucleus. Using the H1(Ni56,dNi55 transfer reaction in inverse kinematics, neutron spectroscopic factors, spins and parities have been extracted for the f7/2, p3/2 and the s1/2 hole-states of 55Ni. These new data provide a benchmark for large basis calculations that include nucleonic orbits in both the sd and pf shells. State of the art calculations have been performed to describe the excitation energies and spectroscopic factors of the s1/2 hole-state below Fermi energy.

  10. Neutron spectroscopic factors of {sup 55}Ni hole-states from (p,d) transfer reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sanetullaev, A. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Tsang, M.B., E-mail: tsang@nscl.msu.edu [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Lynch, W.G.; Lee, Jenny; Bazin, D. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Chan, K.P. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Physics Department, Hong Kong Chinese University, Shatin, Hong Kong (China); Coupland, D.; Henzl, V.; Henzlova, D.; Kilburn, M.; Rogers, A.M. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Sun, Z.Y. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Institute of Modern Physics, CAS, Lanzhou 730000 (China); Youngs, M. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Charity, R.J.; Sobotka, L.G. [Department of Chemistry, Washington University, St. Louis, MO 63130 (United States); Famiano, M. [Department of Physics, Western Michigan University, Kalamazoo, MI 49008 (United States); Hudan, S. [Department of Chemistry, Indiana University, Bloomington, IN 47405 (United States); Shapira, D. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Peters, W.A. [Rutgers University, Piscataway, NJ 08854 (United States); Barbieri, C. [Department of Physics, University of Surrey, Guildford GU2 7XH (United Kingdom); and others

    2014-09-07

    Spectroscopic information has been extracted on the hole-states of {sup 55}Ni, the least known of the quartet of nuclei ({sup 55}Ni, {sup 57}Ni, {sup 55}Co and {sup 57}Cu), one nucleon away from {sup 56}Ni, the N=Z=28 double magic nucleus. Using the {sup 1}H({sup 56}Ni,d){sup 55}Ni transfer reaction in inverse kinematics, neutron spectroscopic factors, spins and parities have been extracted for the f{sub 7/2}, p{sub 3/2} and the s{sub 1/2} hole-states of {sup 55}Ni. These new data provide a benchmark for large basis calculations that include nucleonic orbits in both the sd and pf shells. State of the art calculations have been performed to describe the excitation energies and spectroscopic factors of the s{sub 1/2} hole-state below Fermi energy.

  11. Structure solution from powder neutron and x-ray diffraction data: getting the best of both worlds

    International Nuclear Information System (INIS)

    Hunter, B.A.

    2000-01-01

    Full text: Powder diffraction methods have traditionally been used in three main areas: phase identification and quantification, lattice parameter determination and structure refinement. Until recently structure solution has been the almost exclusive domain of single crystal diffraction methods, predominantly using x-rays. The increasing use of synchrotron and neutron sources, and the unrelenting advances in computing hardware and software means that powder methods are challenging single crystal methods as a practical method for structure solution, especially when single crystal method can not be applied. It is known that structural refinements from a known starting structure using combined X-ray and neutron data sets are capable of providing highly accurate structures. Likewise, using combined x-ray and neutron powder diffraction data in the structure solution process should also be a powerful technique, although to date no one is pursuing this methodology. This paper present examples of solutions to the problem. Namely we are using high resolution powder X-ray and neutron methods to solve the structures of molecular materials and minerals, then refining the structures using both sets of data. In this way we exploit the advantages of both methods while minimising the disadvantages. We present our solution for a small amino acid structure, a metalorganic and a mineral structure

  12. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

  13. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2010-01-01

    The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

  14. Structural modification of aluminium oxynitride phases under stresses at high temperatures, high pressures and under irradiation by fast neutrons

    International Nuclear Information System (INIS)

    Labbe, J.C.; Jeanne, A.; Roult, G.

    1990-01-01

    The structural modifications of the aluminium oxynitride phases under stresses are studied by the time of flight neutron diffraction method, at high temperatures (up to 1375degC), at high pressures (up to 2.4 GPa), and under irradiation by fast neutrons (up to 3.2 X 10 20 n/cm 2 ). In each case the evolutions of cell parameter, interatomic bond angles, bond lengths and atomic positions are given. (orig.)

  15. Energy-selective neutron imaging with high spatial resolution and its impact on the study of crystalline-structured materials

    Science.gov (United States)

    Lehmann, E. H.; Peetermans, S.; Josic, L.; Leber, H.; van Swygenhoven, H.

    2014-01-01

    Crystalline-structured materials with preferentially large grains were investigated by means of energy-selective neutron imaging methods (transmission radiography and tomography) under the conditions of the best possible spatial resolution at the ICON facility, SINQ, and PSI. Because of the cold spectrum at that beam line, access to the Bragg diffraction features was possible even when the energy resolution of the used selector device was only 15%. Grains with a size below the detector resolution (approximately 25 μm) are not visible, and a quasi-homogeneous contrast variation is found when the neutron energy is varied.In the cases of welded stainless steel samples and rolled Al plates, we obtained structural information from a very short exposure of approximately 60 s. Tomographic examinations of these samples at suitable neutron energies qualitatively verified the radiographic findings by showing the same features in the bulk. Comparison to common electron backscatter diffraction (EBSD) investigations in selected regions of the samples provided a complete verification of the neutron-image data with respect to the grain size and the different grain orientations. The method of energy-selective neutron imaging provides an easy and straightforward approach for non-invasive material research that can be performed without any sample preparation if the most suitable neutron energy is chosen. Further studies will be necessary to extend the experimental data base to other materials with different crystal structures and grain sizes. A comparison to diffraction data will enhance the quantitative value of the investigations.

  16. Structure and dynamics of hydrogen molecules in the novel clathrate hydrate by high pressure neutron diffraction.

    Science.gov (United States)

    Lokshin, Konstantin A; Zhao, Yusheng; He, Duanwei; Mao, Wendy L; Mao, Ho-Kwang; Hemley, Russell J; Lobanov, Maxim V; Greenblatt, Martha

    2004-09-17

    The D2 clathrate hydrate crystal structure was determined as a function of temperature and pressure by neutron diffraction for the first time. The hydrogen occupancy in the (32+X)H2.136H(2)O, x=0-16 clathrate can be reversibly varied by changing the large (hexakaidecahedral) cage occupancy between two and four molecules, while remaining single occupancy of the small (dodecahedral) cage. Above 130-160 K, the guest D2 molecules were found in the delocalized state, rotating around the centers of the cages. Decrease of temperature results in rotation freezing followed by a complete localization below 50 K.

  17. Measurement of the spin structure of the neutron using polarised deep inelastic scattering

    Science.gov (United States)

    Kaiser, Ralf Bernd

    The measurement of the spin structure function g1p of the proton and its integral Γ1p by the EMC experiment at C scERN in 1988 indicated that only 12% ± 17% of the proton spin is carried by quarks. This unexpected result-the so called 'spin crisis'-lead to a series of new experimental proposals. One of these, the H scERMES experiment, uses the polarised positron beam of the H scERA accelerator together with a polarised internal gas target of hydrogen, deuterium or 3He for the study of the spin structure of the nucleon. The scattered positrons and other products of the reaction are detected in a forward spectrometer with large acceptance. This thesis focuses on three topics, after a review of the relevant theory and an overview of the H scERMES experiment: The H scERMES transition radiation detector (TRD), which is used to distinguish high energy positrons from hadrons, the H scERMES particle identification (PID) system and the measurement of the spin structure function g1n of the neutron. The H scERMES TRD is the main Canadian contribution to the apparatus of the experiment. The H scERMES PID system allows the identification of positrons from deep inelastic scattering with an efficiency of 99% and a hadron contamination of less than 0.5%. The first physics result from the 1995 H scERMES data is the measurement of the spin structure function g1n(x) of the neutron. The value of the resulting integral Γ1n=∫01g1n(x)/ dx confirms previous measurements at SLAC and violates the Ellis-Jaffe sum rule by about one sigma. The contribution of the quarks to the spin of the neutron can be calculated in the framework of the quark parton model to be 37 ± 16%, indicating that less than half of the spin of the neutron is carried by quarks.

  18. Measurement of the neutron and proton structure functions from neutrino and antineutrino scattering in deuterium

    Science.gov (United States)

    Allasia, D.; Angelini, C.; Baldini, A.; Barlag, S.; Bertanza, L.; Bigi, A.; Bisi, V.; Bobisut, F.; Bolognese, T.; Borg, A.; Calimani, E.; Capiluppi, P.; Casali, R.; Ciampolillo, S.; Derkaoui, J.; Faccini-Turluer, M. L.; Fantechi, R.; Flaminio, V.; Frodesen, A. G.; Gamba, D.; Giacomelli, G.; Graziani, G.; Halsteinslid, A.; Hornaes, A.; Huzita, H.; Jongejans, B.; Lippi, I.; Loreti, M.; Louedec, C.; Mandrioli, G.; Marzari-Chiesa, A.; Nappi, A.; Pazzi, R.; Pierazzini, G. M.; Riccati, L.; Romero, A.; Rossi, A. M.; Sconza, A.; Serra-Lugaresi, P.; Tenner, A.; van Apeldoorn, G. W.; van Dam, P.; Vignaud, D.; Visser, C.; Wigmans, R.

    1984-02-01

    Data from an exposure of the BEBC bubble chamber filled with deuterium to neutrino and antineutrino wide band beams have been used to extract the x dependence of the structure functions for scattering on protons and neutrons and the fractional momentum distributions of the valence quarks and the antiquarks of different flavours. The difference F n2 - F p2 is compared with recent data from high energy μD scattering. A result is also obtained on the sum rule giving the difference between the number of up and down quarks in the nucleon.

  19. The Crystal Structure of Thorium and Zirconium Dihydrides by X-ray and Neutron Diffraction

    Science.gov (United States)

    Rundle, R.E.; Shull, C.G.; Wollan, E.O.

    1951-04-20

    Thorium forms a tetragonal lower hydride of composition ThH{sub 2}. The hydrides ThH{sub 2}, ThD{sub 2}, and ZrD{sub 2} have been studied by neutron diffraction in order that hydrogen positions could be determined. The hydrides are isomorphous, and have a deformed fluorite structure. Metal-hydrogen distances in thorium hydride are unusually large, as in UH{sub 3}. Thorium and zirconium scattering amplitudes and a revised scattering amplitude for deuterium are reported.

  20. First observation of excited structures in neutron-deficient 179Hg : evidence for multiple shape coexistence

    International Nuclear Information System (INIS)

    Kondev, F.G.; Carpenter, M.P.; Janssens, R.V.F.; Lister, C.J.; Abu Saleem, K.; Ahmad, I.; Amro, H.; Caggiano, J.; Davids, C.N.; Heinz, A.; Herskind, B.; Khoo, T.L.; Lauristen, T.; Ma, W.C.; Ressler, J.J.; Reviol, W.; Riedinger, L.L.; Sarantites, D.G.; Seweryniak, D.; Siem, S.; Sonzongni, A.A.; Varmette, P.G.; Wiedenhoever, I.

    2002-01-01

    Excited structures in the neutron-deficient nucleus 179 Hg have been established for the first time using the Gammasphere spectrometer in conjunction with the fragment mass analyzer. Competing states originating from three different minima associated with nearly spherical, oblate, and prolate deformations were found. This result can be contrasted with the situation in heavier odd-mass Hg isotopes where only two minima (oblate and prolate) have been seen. The implications of these three shapes at low spin and excitation energy are discussed in the general context of shape coexistence in this mass region.

  1. The Factor Structure in Equity Options

    DEFF Research Database (Denmark)

    Christoffersen, Peter; Fournier, Mathieu; Jacobs, Kris

    Principal component analysis of equity options on Dow-Jones firms reveals a strong factor structure. The first principal component explains 77% of the variation in the equity volatility level, 77% of the variation in the equity option skew, and 60% of the implied volatility term structure across...... equities. Furthermore, the first principal component has a 92% correlation with S&P500 index option volatility, a 64% correlation with the index option skew, and a 80% correlation with the index option term structure. We develop an equity option valuation model that captures this factor structure...... on a large set of index and equity option data on which the model provides a good fit. The equity option data support the cross-sectional implications of the estimated model....

  2. Neutron diffraction

    International Nuclear Information System (INIS)

    Bacon, G.E.

    1983-01-01

    The paper reviews neutron diffraction work from the early studies to the present-day development of the subject. Direct structural investigations were described, including chemical applications associated with single crystal techniques, and magnetic applications identified with powder techniques. The properties of the neutron beams are discussed, as well as the use of polarised beams. (UK)

  3. Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinement

    International Nuclear Information System (INIS)

    McLain, Sylvia E.; Imberti, Silvia; Soper, Alan K.; Botti, Alberto; Bruni, Fabio; Ricci, Maria Antonietta

    2006-01-01

    Neutron diffraction with isotopic substitution has been used to investigate aqueous solutions of 2M NaOH in the liquid state. The data were modeled using empirical potential structure refinement which allows for the extraction of the ion-water and water-water correlations. The data show that the ion-water radial distribution functions are in accordance with those found by previous studies on NaOH solutions and follow a trend which is dependent on the concentration of the solute. In particular, the shape of the hydroxide hydration shell is found to be concentration independent, but the number of water molecules occupying this shell increases with dilution. Additionally, the water-water correlations show that there is still a measurable effect on water structure with the addition of ions at this concentration, as the second shell in the water oxygen radial distribution function is compressed relative to the first shell. The data are also used to discuss the recent claims that the published radial distribution functions of water are unreliable, showing that data taken at different neutron sources, with different diffraction geometry and systematic errors lead to the same structural information when analyzed via a realistic modeling regime

  4. Monitoring the Effects of Illumination on the Structure of Conjugated Polymer Gels Using Neutron Scattering.

    Science.gov (United States)

    Morgan, Brian; Rinehart, Samantha J; Dadmun, Mark D

    2017-12-21

    We demonstrate a protocol to effectively monitor the gelation process of a high concentration solution of conjugated polymer both in the presence and absence of white light exposure. By instituting a controlled temperature ramp, the gelation of these materials can be precisely monitored as they proceed through this structural evolution, which effectively mirrors the conditions experienced during the solution deposition phase of organic electronic device fabrication. Using small angle neutron scattering (SANS) and ultra-small angle neutron scattering (USANS) along with appropriate fitting protocols we quantify the evolution of select structural parameters throughout this process. Thorough analysis indicates that continued light exposure throughout the gelation process significantly alters the structure of the ultimately formed gel. Specifically, the aggregation process of poly(3-hexylthiophene-2,5-diyl) (P3HT) nano-scale aggregates is negatively affected by the presence of illumination, ultimately resulting in the retardation of growth in conjugated polymer microstructures and the formation of smaller scale macro-aggregate clusters.

  5. La structure des verres étudiée par diffraction des neutrons

    Science.gov (United States)

    Cormier, L.

    2003-09-01

    La diffraction des neutrons est une méthode largement utilisée pour déterminer la structure des matériaux amorphes et en particulier des verres. L'utilisation de la méthode de substitution isotopique permet d'extraire les fonctions de distribution de paires partielles centrées autour d'un élément choisi. Nous présentons quelques exemples récents d'études par diffraction des neutrons sur des verres qui ont permis de mieux comprendre à la fois le réseau polymérique de la matrice vitreuse et l'environnement local et à moyenne distance autour des cations. Ces études ont révélées un ordre structural s'étendant au delà des premiers voisins, jusque vers de distances d'environ 10Å. Le couplage avec d'autres méthodes expérimentales (diffraction anormale des rayons X) et des techniques de simulations (dynamique moléculaire, Monte Carlo Inverse ou RMC) sont indispensables pour affiner nos connaissances de la structure des verres.

  6. An optimized ultra-fine energy group structure for neutron transport calculations

    International Nuclear Information System (INIS)

    Huria, Harish; Ouisloumen, Mohamed

    2008-01-01

    This paper describes an optimized energy group structure that was developed for neutron transport calculations in lattices using the Westinghouse lattice physics code PARAGON. The currently used 70-energy group structure results in significant discrepancies when the predictions are compared with those from the continuous energy Monte Carlo methods. The main source of the differences is the approximations employed in the resonance self-shielding methodology. This, in turn, leads to ambiguous adjustments in the resonance range cross-sections. The main goal of developing this group structure was to bypass the self-shielding methodology altogether thereby reducing the neutronic calculation errors. The proposed optimized energy mesh has 6064 points with 5877 points spanning the resonance range. The group boundaries in the resonance range were selected so that the micro group cross-sections matched reasonably well with those derived from reaction tallies of MCNP for a number of resonance absorbers of interest in reactor lattices. At the same time, however, the fast and thermal energy range boundaries were also adjusted to match the MCNP reaction rates in the relevant ranges. The resulting multi-group library was used to obtain eigenvalues for a wide variety of reactor lattice numerical benchmarks and also the Doppler reactivity defect benchmarks to establish its adequacy. (authors)

  7. Determining neutron multiplication factor in the infinite system by reactivity dependence on one dimension of the reactor core

    International Nuclear Information System (INIS)

    Pesic, M.

    1975-01-01

    The objective of this task was to apply Fermi age theory for determining τ and neutron multiplication factor in infinite medium by measuring reactivity coefficient of heavy water in heterogeneous mixed reactor lattice. Basis of experiment is the measurement of stable reactor period. Measurement of heavy water reactivity coefficient by measuring the stable reactor period is described for chosen overcritical heavy water levels. Calculated values of infinite multiplication factor for measured neutron age data are presented and they are compared to expected theoretical values

  8. On R factors for dynamic structure crystallography

    DEFF Research Database (Denmark)

    Coppens, Philip; Kaminski, Radoslaw; Schmøkel, Mette Stokkebro

    2010-01-01

    In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the inte...... of the intensities before and after the external perturbation is applied, are discussed and compared with R factors commonly applied in static structure crystallography....

  9. Crystal structure refinement of Cu6O8YCl by powder neutron diffraction

    International Nuclear Information System (INIS)

    Kawashima, Kenji; Akimitsu, Jun; Horigane, Kazumasa; Ohoyama, Kenji

    2012-01-01

    We report the crystal structure parameters of clathrate-type copper-oxide Cu 6 O 8 YCl, which belongs to the Cu 6 O 8 MX (M = cation, X = anion) family, investigated by the powder neutron diffraction technique and the Rietveld method. The crystal structure of Cu 6 O 8 YCl was identified to be a cubic structure with the space group Fm3-bar m. The Cl atom is located at the 4a site, which is the center position of the Cu 6 O 8 cage, and the Y atom occupies the 4b site in the cuboid space. The Y and Cl atoms have anomalously large atomic displacement parameters (U iso ) at room temperature, which suggests that Y and Cl atoms respectively present in a cuboid and in a Cu 6 O 8 cage exhibit intensive motion such as rattling, as recently observed for clathrate compounds.

  10. Neutron beam applications; technical development for thermodynamic and structural properties of micelles

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Soon Chul; Suh, Song Hyuck; Min, Yoong Ki; Ahn, Eun Ju [Andong National University, Andong (Korea)

    2002-03-01

    Two non-ionic surfactants, which are the non-ionic surfactants with the polydisperse properties and non-ionic surfactant with the ellipsoidal structure, and which were measured by the small-angle neutron scattering installed in the Korea Atomic Energy Research Institute have been analyzed by using the IGOR Program code. Through the analysis of the SANS data, the strengths and weaknesses of the IGOR program code have been tested in details. To reinforce the IGOR program, the computer programs which are based on the Percus-Yevick, hypernetted-chain, Rogers-Young, and density functional approximation have been developed for the model micelles, and their results have been compared with the computer simulations. It is expected that this study would be applied to study the thermodynamic and structural properties of polymers with the complex structure. 22 refs., 20 figs., 7 tabs. (Author)

  11. New structures in the continuum of 15C populated by two-neutron transfer

    International Nuclear Information System (INIS)

    Cappuzzello, F.; Rea, C.; Bonaccorso, A.; Bondì, M.; Carbone, D.; Cavallaro, M.; Cunsolo, A.; Foti, A.; Orrigo, S.E.A.; Rodrigues, M.R.D.; Taranto, G.

    2012-01-01

    The 13 C( 18 O,  16 O) 15 C reaction has been studied at 84 MeV incident energy. The ejectiles have been detected at forward angles and 15 C excitation energy spectra have been obtained up to about 20 MeV. Several known bound and resonant states of 15 C have been identified together with two unknown structures at 10.5 MeV (FWHM=2.5 MeV) and 13.6 MeV (FWHM=2.5 MeV). Calculations based on the removal of two uncorrelated neutrons from the projectile describe a significant part of the continuum observed in the energy spectra. In particular the structure at 10.5 MeV is dominated by a resonance of 15 C near the 13 C+n+n threshold. Similar structures are found in nearby nuclei such as 14 C and 11 Be.

  12. An Effective Deuterium Exchange Method for Neutron Crystal Structure Analysis with Unfolding-Refolding Processes.

    Science.gov (United States)

    Kita, Akiko; Morimoto, Yukio

    2016-02-01

    A method of hydrogen/deuterium (H/D) exchange with an unfolding-refolding process has been applied to hen egg-white lysozyme (HWL), and accurate evaluation of its deuteration was carried out by time-of-flight mass spectroscopy. Neutron crystallography requires a suitable crystal with enough deuterium exchanged in the protein to decrease incoherent scattering from hydrogens. It is very expensive to prepare a fully deuterated protein, and therefore a simple H/D exchange technique is desirable for this purpose. Acid or base addition to protein solutions with heating effectively increased the number of deuterium up to more than 20 % of that of all hydrogen atoms, and refolded structures were determined by X-ray structure analysis at 1.8 Å resolution. Refolded HWL had increased deuterium content in its protein core and its native structure, determined at atomic resolution, was fully preserved.

  13. Oxygen ''disorder'' and the structures of high-Tc superconductors by neutron powder diffraction

    International Nuclear Information System (INIS)

    Hewat, A.W.; Hewat, E.A.; Bordet, P.; Capponi, J.J.; Chaillout, C.; Chenavas, J.; Hodeau, J.L.; Marezio, M.; Strobel, P.; Francois, M.

    1989-01-01

    All of the high-T c perovskite superconductors appear to show disorder of certain oxygen atoms. In (La,Sr) 2 CuO 4 and perhaps also in YBa 2 Cu 3 O 7 this is associated with a structural transition. The Bi and Tl superconductors, for which the authors have neutron structural data on four different phases, also how oxygen ''disorder'' which may be associated with valence fluctuations. In Tl 2 Ba 2 CuO 6 , electron holes are created by the absence of 1/8 of the atoms in the TlO plane, producing a marked superstructure. However, this material is not superconducting if the superstructure is well ordered, with an orthorhombic (strictly monoclinic) structure. The T c appears to depend on the disorder of the superstructure to produce a pseudotetragonal metric in which the oxygen atoms within the TlO plane are distributed over four equivalent sites about the center of the Tl square

  14. The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.

    Directory of Open Access Journals (Sweden)

    Esko Oksanen

    Full Text Available Urate oxidase transforms uric acid to 5-hydroxyisourate without the help of cofactors, but the catalytic mechanism has remained enigmatic, as the protonation state of the substrate could not be reliably deduced. We have determined the neutron structure of urate oxidase, providing unique information on the proton positions. A neutron crystal structure inhibited by a chloride anion at 2.3 Å resolution shows that the substrate is in fact 8-hydroxyxanthine, the enol tautomer of urate. We have also determined the neutron structure of the complex with the inhibitor 8-azaxanthine at 1.9 Å resolution, showing the protonation states of the K10-T57-H256 catalytic triad. Together with X-ray data and quantum chemical calculations, these structures allow us to identify the site of the initial substrate protonation and elucidate why the enzyme is inhibited by a chloride anion.

  15. Neutron scattering studies of nuclear and magnetic structures of YBa2(Cu1-yZny)3O6+x

    International Nuclear Information System (INIS)

    Villeneuve, R.; Mirebeau, I.; Collin, G.; Bouree, F.

    1994-01-01

    Structural effects of zinc substitution in YBCO have been studied by neutron diffraction in order to determine the substitution site of zinc atoms. Electron neutron diffraction experiments are performed on YBa 2 (Cu 1-y Zn y ) 3 O 6+x powders. Nuclear structures have been refined using the Rietveld method on powders of compositions x=1 and y ranging from 0.01 to 0.06. The results suggest a solubility limit of zinc in the copper planes at y ≅ 0.04 and zinc may start to substitute for chain copper sites for higher y values. Magnetic structure of a y=0.02 and x=0.05 powder has been studied by neutron elastic diffraction. The antiferromagnetic structure is not affected by non-magnetic zinc atoms but the ordering temperature is strongly reduced. 2 figs., 11 refs

  16. Neutron diffraction

    International Nuclear Information System (INIS)

    James, M.; Howard, C.J.; Kennedy, S.

    1999-01-01

    Diffraction methods, especially X-ray diffraction, are widely used in materials science. Neutron diffraction is in many ways similar to X-ray diffraction, but is also complementary to the X-ray technique so that in some cases it yields information not accessible using X-rays. Successes of neutron diffraction include the elucidation of the crystal structures of high temperature superconductors and materials that display colossal magnetoresistance, the phase analysis of zirconia engineering ceramics, in depth stress determination in composites, successful determination of the structures of metal hydrides, transition metal polymer complexes and the determination of magnetic structure. A brief description of current studies, using neutron diffraction is given

  17. Membrane Structure Studies by Means of Small-Angle Neutron Scattering (SANS)

    International Nuclear Information System (INIS)

    Knott, R. B.

    2008-01-01

    The basic model for membrane structure--a lipid bilayer with imbedded proteins--was formulated 35 years ago, however the detailed structure is still under active investigation using a variety of physical, chemical and computational techniques. Every biologically active cell is encapsulated by a plasma membrane with most cells also equipped with an extensive intracellular membrane system. The plasma membrane is an important boundary between the cytoplasm of the cell and the external environment, and selectively isolates the cell from that environment. Passive diffusion and/or active transport mechanisms are provided for water, ions, substrates etc. which are vital for cell metabolism and viability. Membranes also facilitate excretion of substances either as useful cellular products or as waste. Despite their complexity and diverse function, plasma membranes from quite different cells have surprisingly similar compositions. A typical membrane structure consists of a phospholipid bilayer with a number of proteins scattered throughout, along with carbohydrates (glycoproteins), glycolipids and sterols. The plasma membranes of most eukaryotic cells contain approximately equal weights of lipid and protein, which corresponds to about 100 lipid molecules per protein molecule. Clearly, lipids are a major constituent and the study of their structure and function in isolation provides valuable insight into the more complex intact multicomponent membrane. The membrane bound protein is the other major constituent and is a very active area of research for a number of reasons including the fact that over 60% of modern drugs act on their receptor sites. The interaction between the protein and the supporting lipid bilayer is clearly of major importance. Neutron scattering is a powerful technique for exploring the structure of membranes, either as reconstituted membranes formed from well characterised lipids, or as intact membranes isolated from selected biological systems. A brief

  18. Instruments for radiation measurement in biosciences. Series 3. radioluminography. 11. Neutron imaging plate contributes to structural biology

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    1999-01-01

    The neutron imaging plate (NIP) is an integrating detector of neutron for measuring the neutron flux by its photo-stimulated luminescence. This review with the list of references hitherto focused its application done mainly by the author to structural biology. As compared with the traditional position sensitive detector (PSD, the two-dimensionally arranged proportional counter), NIP, since it can be arranged cylindrically to surround the sample, has the data collection rate ten times as rapid as the PSD, which enabled to analyze the structure of biopolymers. There are four neutron diffractometers equipped with NIP: LADI in France which was used for the hydrogen and hydrated structures of lysozyme, BIX-II which is inappropriate for structural biology due to weak neutron intensity, BIX-LAUE with which the obtained diffraction of the above enzyme is presented in this paper and BIX-III which has the highest sensitivity and diffraction of rubredoxin is presented; all of the latter three are in the Japan Atomic Energy Research Institute. The shield against X-ray was pointed out necessary and lead plate of 1-40 mm thickness was found satisfactory. NIP, however, is not complete yet at present for structural biology but is thought promising in future. (K.H.)

  19. Dancoff factors with partial neutrons absorption in cluster geometry by the direct method

    International Nuclear Information System (INIS)

    Rodrigues, Leticia Jenisch

    2007-01-01

    Accurate analysis of resonance absorption in heterogeneous systems is essential in problems like criticality, breeding ratios and fuel depletion calculations. In compact arrays of fuel rods, resonance absorption is strongly affected by the Dancoff factor, defined in mis study as the probability that a neutron emitted from the surface of a fuel element, enters another fuel element without any collusion in the moderator or cladding. In fact, in the most practical cases of irregular cells, it is observed that inaccuracies in computing both Grey and Black Dancoff factors, i.e. for partially and perfectly absorbing fuel rods, can lead to considerable errors in the calculated values of such integral quantities. For this reason, much effort has been made in the past decades to further improve the models for calculating Dancoff factors, a task that has been accomplished in connection with the development of faster computers. In the WIMS code, Black Dancoff factors based on the above mentioned collusion probability definition are computed in cluster geometry, for each one of the symmetrically distinct fuel pin positions in the cell. Sets of equally-spaced parallel lines are drawn in subroutine PIJ, at a number of discrete equally-incremented azimuthal angles, covering the whole system and forming a mesh over which the in-plane integrations of the Bickley functions are carried out by simple trapezoidal rule, leading to the first-flight collusion matrices. Although fast, the method in PIJ is inefficient, since the constructed mesh does not depended on the system details, so that regions of small relative volumes are crossed out by relatively few lines, which affects the convergence of the calculated probabilities. A new routine (PIJM) was then created to incorporate a more efficient integration scheme considering each system region individually, minimizing convergence problems and reducing the number of neutron track lines required in the in-plane integrations for any given

  20. Evaluation of the structure of amorphous tungsten oxide W28O72 by the combination of electron-, X-ray- and neutron-diffraction (three-beam experiment)

    International Nuclear Information System (INIS)

    Ankele, J.; Mayer, J.

    2006-01-01

    From the combination of quantitative electron-diffraction data with X-ray- and neutron-diffraction data (so-called three-beam experiment) the partial structure factors and pair correlation functions of amorphous sputter deposited W 28 O 72 were determined. On the basis of the experimental atomic distances and coordination numbers, and by comparison with crystalline WO 3 , a structural model was developed, which consists of twisted WO 6 octahedra. Reverse Monte Carlo simulation in accordance with the experimental data was performed to verify the results. (orig.)

  1. Structure factors and phonon dispersion in liquid

    Indian Academy of Sciences (India)

    2Electronics Department, Narmada College of Science and Commerce, Bharuch 392 011,. India. E-mail: apratapmsu@yahoo.com. Abstract. The phonon spectra for .... Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy. [5] U Balucani and M Zoppi, Dynamics of the liquid state (Clarendon, Oxford, 1994).

  2. Structural studies of agar-gelatin complex coacervates by small angle neutron scattering, rheology and differential scanning calorimetry.

    Science.gov (United States)

    Singh, S Santinath; Aswal, V K; Bohidar, H B

    2007-08-01

    Agar-gelatin complex coacervates are studied by small angle neutron scattering (SANS), rheology (in both flow and temperature scan modes) and differential scanning calorimetry (DSC) in order to probe the microscopic structure of this dense protein-polysaccharide-rich phase. DSC and isochronal temperature sweep (rheology) experiments yielded a characteristic temperature at approximately 35+/-2 degrees C. Rheology data revealed a second characteristic temperature at approximately 75+/-5 degrees C which was absent in DSC thermograms. In the flow mode, shear viscosity (eta) was found to scale with (Carreau model) applied shear rate (gamma ) as: eta(gamma ) approximately (gamma )(-k) with k=1.2+/-0.2 indicating non-Newtonian and shear-thinning features independent of ionic strength. The static structure factor S(q) deduced from SANS data in the low wave vector (0.018 A(-1)high-q region, called the Ornstein-Zernike regime, S(q) approximately 1/(1+xi(2)q(2)) gave correlation length xi approximately 12+/-2A. The results taken together imply the existence of a weakly interconnected and heterogeneous network structure inside the coacervate phase. Structural features of this material are compared with those of agar and gelatin gel, and gelatin coacervate.

  3. Calculation of thermal neutron self-shielding correction factors for aqueous bulk sample prompt gamma neutron activation analysis using the MCNP code

    International Nuclear Information System (INIS)

    Nasrabadi, M.N.; Jalali, M.; Mohammadi, A.

    2007-01-01

    In this work thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing materials is studied using bulk sample prompt gamma neutron activation analysis (BSPGNAA) with the MCNP code. The code was used to perform three dimensional simulations of a neutron source, neutron detector and sample of various material compositions. The MCNP model was validated against experimental measurements of the neutron flux performed using a BF 3 detector. Simulations were performed to predict thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing solutes. In practice, the MCNP calculations are combined with experimental measurements of the relative thermal neutron flux over the sample's surface, with respect to a reference water sample, to derive the thermal neutron self-shielding within the sample. The proposed methodology can be used for the determination of the elemental concentration of unknown aqueous samples by BSPGNAA where knowledge of the average thermal neutron flux within the sample volume is required

  4. Structural studies of Neurospora crassa LPMO9D and redox partner CDHIIA using neutron crystallography and small-angle scattering.

    Science.gov (United States)

    Bodenheimer, Annette M; O'Dell, William B; Stanley, Christopher B; Meilleur, Flora

    2017-08-07

    Sensitivity to hydrogen/deuterium and lack of observable radiation damage makes cold neutrons an ideal probe the structural studies of proteins with highly photosensitive groups such as the copper center of lytic polysaccharide monooxygenases (LPMOs) and flavin adenine dinucleotide (FAD) and heme redox cofactors of cellobiose dehydrogenases (CDHs). Here, neutron crystallography and small-angle neutron scattering are used to investigate Neurospora crassa LPMO9D (NcLPMO9D) and CDHIIA (NcCDHIIA), respectively. The presence of LPMO greatly enhances the efficiency of commercial glycoside hydrolase cocktails in the depolymerization of cellulose. LPMOs can receive electrons from CDHs to activate molecular dioxygen for the oxidation of cellulose resulting in chain cleavage and disruption of local crystallinity. Using neutron protein crystallography, the hydrogen/deuterium atoms of NcLPMO9D could be located throughout the structure. At the copper active site, the protonation states of the side chains of His1, His84, His157 and Tyr168, and the orientation of water molecules could be determined. Small-angle neutron scattering measurements provided low resolution models of NcCDHIIA with both the dehydrogenase and cytochrome domains in oxidized states that exhibited elongated conformations. This work demonstrates the suitability of neutron diffraction and scattering for characterizing enzymes critical to oxidative cellulose deconstruction. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Structural characterization of advanced ceramics using the neutron diffractometer developed by Instituto de Pesquisas Energeticas e Nucleares (IPEN)

    International Nuclear Information System (INIS)

    Parente, C.B.R.; Mazzocchi, V.L.

    1999-01-01

    Application of neutron diffractometer at the Instituto de Pesquisas Energeticas Nucleares, Sao Paulo, Brazil, in the structural investigations of advanced ceramics was presented. Methodology of the analysis of neutron diffraction patterns was tested with BaLiF 3 single crystals and also doped with Ni 2+ or Pb 2+ ions. The same methodology was used to investigate the HTSC phases in the system Bi-Sr-Ca-Cu-O. The system Bi 1.7 Pb 0.3 Sr 2 Ca 2.2 Cu 3.5 O 10.6 was also investigated. Addition of Pb 2+ ions increased the fraction of high-T c phase 2223. Symmetry in neutron multiple diffraction patterns, obtained for aluminium single crystal, was elaborated. Crystal lattice parameter for aluminium single crystal was determined at different temperatures using neutron multiple diffraction. (author)

  6. Laser spectroscopy of cadmium isotopes: probing the nuclear structure between the neutron 50 and 82 shell closures

    CERN Multimedia

    Blaum, K; Stroke, H H; Krieger, A R

    We propose to study the isotopic chain of cadmium with high-resolution laser spectroscopy for the first time. Our goal is to determine nuclear spins, moments and root-mean-square charge radii of ground and isomeric states between the neutron 50 and 82 shell closures, contributing decisively to a better understanding of the nuclear structure in the vicinity of the doubly-magic $^{100}$Sn and $^{132}$Sn. On the neutron-rich side this is expected to shed light on a shell-quenching hypothesis and consequently on the duration of the r-process along the waiting-point nuclei below $^{130}$Cd. On the neutron-deficient side it may elucidate the role of the cadmium isotopes in the rp-process for rapidly accreting neutron stars.

  7. Spallation Neutron Source Availability Top-Down Apportionment Using Characteristic Factors and Expert Opinion

    International Nuclear Information System (INIS)

    Haire, M.J.; Schryver, J.C.

    1999-01-01

    Apportionment is the assignment of top-level requirements to lower tier elements of the overall facility. A method for apportioning overall facility availability requirements among systems and subsystems is presented. Characteristics that influence equipment reliability and maintainability are discussed. Experts, using engineering judgment, scored each characteristic for each system whose availability design goal is to be established. The Analytic Hierarchy Process (AHP) method is used to produce a set of weighted rankings for each characteristic for each alternative system. A mathematical model is derived which incorporates these weighting factors. The method imposes higher availability requirements on those systems in which an incremental increase in availability is easier to achieve, and lower availability requirements where greater availability is more difficult and costly. An example is given of applying this top-down apportionment methodology to the Spallation Neutron Source (SNS) facility

  8. Neutron electric form factor up to Q2 = 1.47 GeV/c2

    International Nuclear Information System (INIS)

    Madey, Richard; Semenov, Andrei; Taylor, S.; Aghalaryan, Aram; Crouse, Erick; MacLachlan, Glen; Plaster, Bradley; Shigeyuki Tajima; William Tireman; Chenyu Yan; Abdellah Ahmidouch; Brian Anderson; Hartmuth Arenhovel; Razmik Asaturyan; Baker, O.; Alan Baldwin; Herbert Breuer; Roger Carlini; Christy, E.; Steve Churchwell; Leon Cole; Areg Danagoulian; Donal Day; Mostafa Elaasar; Rolf Ent; Manouchehr Farkhondeh; Howard Fenker; John Finn; Liping Gan; Kenneth Garrow; Paul Gueye; Calvin Howell; Bitao Hu; Mark Jones; James Kelly; Cynthia Keppel; Mahbubul Khandaker; Wooyoung Kim; Stanley Kowalski; Allison Lung; David Mack; Manley, D.; Pete Markowitz; Joseph Mitchell; Hamlet Mkrtchyan; Allena Opper; Charles Perdrisat; Vina Punjabi; Brian Raue; Tilmann Reichelt; Joerg Reinhold; Julie Roche; Yoshinori Sato; Irina Semenova; Wonick Seo; Neven Simicevic; Smith, G.; Samuel Stepanyan; Vardan Tadevosyan; Liguang Tang; Paul Ulmer; William Vulcan; Watson, J. W.; Steven Wells; Frank Wesselmann; Stephen Wood; Chen Yan; Seunghoon Yang; Lulin Yuan; Wei-Ming Zhang; Hong Guo Zhu; Xiaofeng Zhu

    2003-01-01

    The ratio of the electric to the magnetic form factor of the neutron, g /equiv G En /G Mn , was measured via recoil polarimetry (R.G. Arnold, C.E. Carlson, F. Gross, Phys. Rev. C 23, 363 (1981)) from the quasielastic 2 H (/mathop(e)/limitse' /mathop(n)/limits) 1H reaction at three values of Q 2 (viz, 0.45, 1.15, and 1.47 (GeV/c) 2 ) in Hall C of the Thomas Jefferson National Accelerator Facility. The data reveal that GEn continues to follow the Galster parameterization up to Q 2 = 1.15 (GeV/c) 2 and rises above the Galster parameterization at Q 2 = 1.47 (GeV/c) 2

  9. A Neutron Diffraction Study of the Nuclear and Magnetic Structure of MnNb2O6

    DEFF Research Database (Denmark)

    Nielsen, Oliver Vindex; Lebech, Bente; Krebs Larsen, F.

    1976-01-01

    A neutron diffraction study was made of the nuclear and the magnetic structure of MnNb2O6 single crystals. The thirteen nuclear parameters (space group Pbcn) were determined from 304 reflections at room temperature. The antiferromagnetic structure (Neel temperature=4.4K), determined at 1.2K...

  10. Neutron scattering study of structure and dynamics of ammonium halides under high pressure

    International Nuclear Information System (INIS)

    Kozlenko, D.P.; Balagurov, A.M.; Savenko, B.N.; Glazkov, V.P.; Somenkov, V.A.; Hull, S.

    1999-01-01

    Complete text of publication follows. Structural changes in ammonium halides ND 4 Cl, ND 4 Br and ND 4 F at pressures up to 40 kbar and ND 4 I at pressures up to 86 kbar have been studied bz means of neutron diffraction at room temperature. The pressure dependencies of the lattice parameter a and the deuterium position parameter u were obtained. It was found that the order - disorder II-IV phase transition in ND 4 Br and ND 4 Cl occurs at equal critical values of u, u cr =0.152(2). For ND 4 F, u is initially higher than u cr and only the ordered CsCl type phase III exists at high pressure. For ND 4 I, no II-IV phase transition was observed. A phase transition into the recently discovered high pressure phase V was detected in ND 4 I at 80 4 I(V) was found to be the same as the structure of the low temperature phase ND 4 I(III) - tetragonal one with antiparallel ordering of ammonium ions, space group P4/nmm. Vibrational spectra of NH 4 I and HN 4 F have been studied by means of incoherent inelastic neutron scattering at pressure up to 40 kbar. Vibration and transverse optical (TO) modes frequencies as functions of pressure were obtained. Both frequencies increase under pressure. (author)

  11. Characterization of nano-structure by small-angle X-ray and neutron scattering

    International Nuclear Information System (INIS)

    Ohnuma, Masato

    2017-01-01

    This paper outlines the cases when small-angle X-ray scattering method and small-angle neutron scattering method in transmission arrangement were applied to heterogeneity with low-volume rate (10% or below), such as nano-sized deposits and trace defects. In particular, it explains not only general analysis, but also the possibility of use of the small angle scattering method as a simple inspection method in nanostructure evaluation, as well as correspondence of small-angle scattering method with powder diffraction method in crystal structure evaluation. From the small-angle scattering profiles of a series of sample groups, we can judge which sample has the smallest nanostructure, by only comparing profiles without analysis. The object to be measured is a heterogeneous structure (void, second phase, crack, etc.) having a diameter of about 1 to several hundred nm present in a material. This paper also outlines the usual small-angle scattering analysis method, as well as further analysis using the difference between X-ray and neutron on scattering length contrast. (A.O.)

  12. Extracting quantitative structural parameters for disordered polymers from neutron scattering data

    International Nuclear Information System (INIS)

    Rosi-Schwartz, B.; Mitchell, G.R.

    1995-01-01

    The organization of non-crystalline polymeric materials at a local level, namely on a spatial scale between a few and 100 A, is still unclear in many respects. The determination of the local structure in terms of the configuration and conformation of the polymer chain and of the packing characteristics of the chain in the bulk material represents a challenging problem. Data from wide-angle diffraction experiments are very difficult to interpret due to the very large amount of information that they carry, that is the large number of correlations present in the diffraction patterns.We describe new approaches that permit a detailed analysis of the complex neutron diffraction patterns characterizing polymer melts and glasses. The coupling of different computer modelling strategies with neutron scattering data over a wide Q range allows the extraction of detailed quantitative information on the structural arrangements of the materials of interest. Proceeding from modelling routes as diverse as force field calculations, single-chain modelling and reverse Monte Carlo, we show the successes and pitfalls of each approach in describing model systems, which illustrate the need to attack the data analysis problem simultaneously from several fronts. ((orig.))

  13. Cage occupancies in the high pressure structure H methane hydrate: a neutron diffraction study.

    Science.gov (United States)

    Tulk, C A; Klug, D D; dos Santos, A M; Karotis, G; Guthrie, M; Molaison, J J; Pradhan, N

    2012-02-07

    A neutron diffraction study was performed on the CD(4) : D(2)O structure H clathrate hydrate to refine its CD(4) fractional cage occupancies. Samples of ice VII and hexagonal (sH) methane hydrate were produced in a Paris-Edinburgh press and in situ neutron diffraction data collected. The data were analyzed with the Rietveld method and yielded average cage occupancies of 3.1 CD(4) molecules in the large 20-hedron (5(12)6(8)) cages of the hydrate unit cell. Each of the pentagonal dodecahedron (5(12)) and 12-hedron (4(3)5(6)6(3)) cages in the sH unit cell are occupied with on average 0.89 and 0.90 CD(4) molecules, respectively. This experiment avoided the co-formation of Ice VI and sH hydrate, this mixture is more difficult to analyze due to the proclivity of ice VI to form highly textured crystals, and overlapping Bragg peaks of the two phases. These results provide essential information for the refinement of intermolecular potential parameters for the water-methane hydrophobic interaction in clathrate hydrates and related dense structures.

  14. Determination of the Magnetic Structure of Complex anti-Perovskite Fluorides by Neutron Diffraction

    Science.gov (United States)

    Felder, Justin; Yeon, Jeongho; Zur Loye, Hans-Conrad

    An unusual family of anti-perovskite fluorides consisting of complex ions as the A, B, and X building units has been synthesized as single crystals. This family of anti-perovskites provides a unique framework to probe the magnetic properties of transition metals. Presented here is the Fe endmember of the family: [Cu(H2O)4]3[FeF6]2. The iron member exhibits complex magnetic behavior at low temperatures, which has been probed by magnetometry and neutron diffraction experiments. Presented here are the results from the anisotropic magnetometry study as well as the magnetic spin structure as determined by neutron diffraction experiments. The materials presented here represent an interesting class of perovskites that are as-yet unexplored. Given the wide range of properties possible in perovskites and related structures, it is reasonable to expect that further exploration of these materials will reveal many interesting attributes; both chemical and physical. United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, Award DE-SC0008664.

  15. Fluid bilayer structure determination: Joint refinement in composition space using X-ray and neutron diffraction data

    International Nuclear Information System (INIS)

    White, S.H.; Wiener, M.C.

    1994-01-01

    Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining open-quote the structure close-quote of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors

  16. Structure and dynamics of photosynthetic proteins studied by neutron scattering and molecular dynamic simulation

    International Nuclear Information System (INIS)

    Dellerue, Serge

    2000-01-01

    Understand the structure-dynamics-function relation in the case of proteins is essential. But few experimental techniques allow to have access to knowledge of fast internal movements of biological macromolecules. With the neutron scattering method, it has been possible to study the reorientation dynamics of side chains and of polypeptide skeleton for two proteins in terms of water or detergent and of temperature. With the use of the molecular dynamics method, essential for completing and interpreting the experimental data, it has been possible to assess the different contributions of the whole structure of proteins to the overall dynamics. It has been shown that the polypeptide skeleton presents an energy relaxation comparable to those of the side chains. Moreover, it has been explained that the protein dynamics can only be understood in terms of relaxation time distribution. (author) [fr

  17. The structure of para-toluidine by X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Bertinotti, A.L.

    1965-12-01

    The crystal and molecular structure of para-toluidine has been solved by X-ray and neutron diffraction counter techniques. The molecules are arranged in the form of infinite chains in the crystal, each molecule being linked to two neighbours by hydrogen bonds. The presence of the H bonds makes clear the difference in the melting points between para-toluidine and benzene hydrocarbons of related symmetry and molecular weight. Their direction accounts for the (001) cleavage and the growth anisotropy of crystals from supersaturated vapour phase. A structure-seeking method by computer has been elaborated, using lattice energy calculations applied to molecules treated as rigid bodies and making use of a simplex method for function minimization without calculation of derivatives. The way the available information is handled allows to increase the range of convergence, as shown in the case of para-toluidine. (author) [fr

  18. Pion structure function from leading neutron electroproduction and SU(2) flavor asymmetry

    Energy Technology Data Exchange (ETDEWEB)

    McKenney, Joshua R. [North Carolina State Univ., Raleigh, NC (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Univ. of North Carolina, Chapel Hill, NC (United States); Sato Gonzalez, Nobuo; Melnitchouk, Wally [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Ji, Chueng-Ryong [North Carolina State Univ., Raleigh, NC (United States)

    2016-03-01

    We examine the efficacy of pion exchange models to simultaneously describe leading neutron electroproduction at HERA and the $\\bar{d}-\\bar{u}$ flavor asymmetry in the proton. A detailed $\\chi^2$ analysis of the ZEUS and H1 cross sections, when combined with constraints on the pion flux from Drell-Yan data, allows regions of applicability of one-pion exchange to be delineated. The analysis disfavors several models of the pion flux used in the literature, and yields an improved extraction of the pion structure function and its uncertainties at parton momentum fractions in the pion of $4 \\times 10^{-4} \\lesssim x_\\pi \\lesssim 0.05$ at a scale of $Q^2$=10 GeV$^2$. Based on the fit results, we provide estimates for leading proton structure functions in upcoming tagged deep-inelastic scattering experiments at Jefferson Lab on the deuteron with forward protons.

  19. Grazing-incidence small-angle neutron scattering from structures below an interface.

    Science.gov (United States)

    Nouhi, Shirin; Hellsing, Maja S; Kapaklis, Vassilios; Rennie, Adrian R

    2017-08-01

    Changes of scattering are observed as the grazing angle of incidence of an incoming beam increases and probes different depths in samples. A model has been developed to describe the observed intensity in grazing-incidence small-angle neutron scattering (GISANS) experiments. This includes the significant effects of instrument resolution, the sample transmission, which depends on both absorption and scattering, and the sample structure. The calculations are tested with self-organized structures of two colloidal samples with different size particles that were measured on two different instruments. The model allows calculations for various instruments with defined resolution and can be used to design future improved experiments. The possibilities and limits of GISANS for different studies are discussed using the model calculations.

  20. Neutron diffraction stress determination in W-laminates for structural divertor applications

    Directory of Open Access Journals (Sweden)

    R. Coppola

    2015-07-01

    Full Text Available Neutron diffraction measurements have been carried out to develop a non-destructive experimental tool for characterizing the crystallographic structure and the internal stress field in W foil laminates for structural divertor applications in future fusion reactors. The model sample selected for this study had been prepared by brazing, at 1085 °C, 13 W foils with 12 Cu foils. A complete strain distribution measurement through the brazed multilayered specimen and determination of the corresponding stresses has been obtained, assuming zero stress in the through-thickness direction. The average stress determined from the technique across the specimen (over both ‘phases’ of W and Cu is close to zero at −17 ± 32 MPa, in accordance with the expectations.

  1. Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. I. Scaling of neutron data and the distributions of double bonds and water.

    Science.gov (United States)

    Wiener, M C; King, G I; White, S H

    1991-09-01

    :3421-3437), was obtained from the analysis of neutron diffraction data of DOPC hydrated with a D20/H20 mixture. The water distribution is described accurately by a pair of Gaussian functions each located at a position Zw = 22.51 +/- 0.77 A from the bilayer center with 1/e-half widths of Aw = 4.63 +/- 0.48A. We present the relative absolute neutron and x-ray structure factors of DOPC at 66% RH that will be used to solve the complete structure of DOPC which will be presented in a later paper of this series.

  2. Short range structure of amorphous Ni50Ta50-alloys by means of X-ray- and neutron-diffraction

    International Nuclear Information System (INIS)

    Uhlig, H.; Lamparter, P.; Steeb, S.; Rohr, L.; Guentherodt, H.J.; Fischer, P.

    1992-01-01

    Amorphous Ni 50 Ta 50 -samples with their high crystallization temperature of 985 K were investigated. To evaluate the three partial structure factors of amorphous Ni 50 Ta 50 one X-ray diffraction experiment was performed with Ni 50 Ta 50 and two neutron diffraction experiments with Co 10 Ni 40 Ta 50 and with Ni 50 Ta 50 , respectively. The Bhatia-Thornton partial structure factor S cc (Q) indicates rather strong chemical short range order which also explains the premaximum observed in the Faber-Ziman partial S NiNi (Q)-function. The nearest neighbor distance is 2.82 A for Ni-Ni, 2.91 A for Ta-Ta, and is shortest for Ni-Ta, 2.44 A. The coordination numbers are N NiNi = 4.9, N TaTa = 8.2, and N NiTa = 6.0. We report on the chemical short range order and the possible binding behavior in a-Ni 50 Ta 50 and compare the present results with those reported in the literature on a-Ni 40 Ti 60 as well as on a-Ni 55 Ta 45 . (orig.)

  3. Ultra-small-angle neutron scattering: large-scale structure determination from a bird's eye view

    International Nuclear Information System (INIS)

    Rehma, A.; Brûlé, A.; Freund, A.; Kennedy, S.

    2012-01-01

    Both natural and synthetic materials science and engineering rely increasingly on detailed knowledge of the microstructure and interactions in soft and hard materials. Contemporary research areas in biology and the life sciences, e.g., include membrane biophysics, drug-delivery systems and pharmacology, denial and medical composites, biomaterials, fillings and implants in each of these areas large length scale measurements become necessary as model biological systems begin to approach the complexity of natural systems Porosity (void structure) and particle size need to be understood so that the processes of agglomeration and water transport can be quantified in materials such as cements, oil bearing rooks, and pewit pigments Complex fluids, containing structures and complexes in the nanometre and much larger length scales, have widely varying physical properties and are extensively used in food, cosmetic/personal care, pharmaceuticals and drug-delivery, and mining industries. In these length-scales are some of the organisational features that dictate the bulk rheological and stability properties of solutions. At ANSTO a new ultra-small-angle neutron scattering (USANS) instrument, Kookaburra (currently) under construction with an expected transition to operation in mid-2013), will advance large-scale structure determination in the size range of 0.1-10 µm. Based on the well-established Bonse-Hart method. Kookaburra will individually operate at two different wavelengths to optimally accommodate weakly and strongly scattering samples at one sample position. This contribution will present specifics of Kookaburra and also discuss a practical application of the USANS technique in polymer science. Both its versatility and estimated neutron flux suggest that this state-.of-the-art instrument will generate a major impact in the field of large-scale structure determination.

  4. Measurement of leakage neutron spectra from advanced blanket materials and structural materials induced by D-T neutrons. Correction for energy loss of charged particle in sample materials

    Energy Technology Data Exchange (ETDEWEB)

    Nishio, Takashi; Kondo, Tetsuo; Takagi, Hiroyuki; Murata, Isao; Takahashi, Akito [Osaka Univ., Department of Nuclear Engineering, Suita, Osaka (Japan); Kokooo [Department of Physics, University of Mawlamyine (Myanmar); Maekawa, Fujio; Ikeda, Yujiro; Takeuchi, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2000-03-01

    D-T neutron benchmark experiments for LiAlO{sub 2}, Li{sub 2}TiO{sub 3}, Li{sub 2}ZrO{sub 3}, Cu and W have been conducted at FNS of JAERI to validate five nuclear data files. The former three are promising advanced breeder materials and the latter two are important structural materials in a fusion reactor. From the results, all the nuclear data files were confirmed to be fairly reliable with respect to the prediction of neutron spectrum in the use of Li{sub 2}TiO{sub 3} and Cu. For LiAlO{sub 2} and W, some large discrepancies between the experimental and calculated data were observed. For Li{sub 2}ZrO{sub 3}, the C/E values became very large for all the nuclear data files. (author)

  5. Use of the neutron activation technique: soil-plant transfer factor

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Wellington Ferrari da, E-mail: wferrari250@yahoo.com.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Programa de Pós-Graduação em Ciências e Técnicas Nucleares; Menezes, Maria Ângela de B.C., E-mail: menezes@cdtn.br [Centro Desenvolvimento da Tecnologia Nuclear (SERTA/CDTN/CNEN-MG), Belo Horizonte, MG (Brazil). Serviço de Técnicas Analíticas. Laboratório de Ativação Neutrônica; Marques, Douglas José, E-mail: douglasjmarques81@yahoo.com.br [Universidade José do Rosário Vellano, Alfenas, MG (Brazil). Setor de Olericultura e Experimentação em Agricultura Orgânica

    2017-07-01

    Recent studies have demonstrated the importance of the soil-plant transfer factor in the absorption and translocation of chemical elements, thus, it is possible to evaluate a better decision-making in the consecutive plantations. To determine these values, the content of a chemical element present in the plant or part of it with the total content present in the same soil where it is grown is considered. The objective of this study was to determine the concentrations of the chemical elements present in soil, leaf and grains corn, by neutron activation analysis and to compare the different soil-plant transfer factors. The samples were collected in a property located in the region of Biquinhas, MG, and irradiated in the TRIGA MARK I IPR-R1 CDTN / CNEN nuclear reactor. Thus, the concentrations of Br, Ce Fe, K, La, Na, Rb, Zn were determined. The soil-plant transfer factors for the elements found were varied, indicating a greater potassium absorption capacity (K). (author)

  6. Use of the neutron activation technique: soil-plant transfer factor

    International Nuclear Information System (INIS)

    Silva, Wellington Ferrari da; Menezes, Maria Ângela de B.C.; Marques, Douglas José

    2017-01-01

    Recent studies have demonstrated the importance of the soil-plant transfer factor in the absorption and translocation of chemical elements, thus, it is possible to evaluate a better decision-making in the consecutive plantations. To determine these values, the content of a chemical element present in the plant or part of it with the total content present in the same soil where it is grown is considered. The objective of this study was to determine the concentrations of the chemical elements present in soil, leaf and grains corn, by neutron activation analysis and to compare the different soil-plant transfer factors. The samples were collected in a property located in the region of Biquinhas, MG, and irradiated in the TRIGA MARK I IPR-R1 CDTN / CNEN nuclear reactor. Thus, the concentrations of Br, Ce Fe, K, La, Na, Rb, Zn were determined. The soil-plant transfer factors for the elements found were varied, indicating a greater potassium absorption capacity (K). (author)

  7. Determination of the crystal and magnetic structure of the DyCrO4-scheelite polymorph by neutron diffraction

    OpenAIRE

    Santos Garcia, Antonio Juan dos; Climent Pascual, Esteban; Rabie, Mahmoud Gamal; Romero de Paz, Julio; Gallardo Amores, Jose Manuel; Khalyavin, Dmitry; Saez Puche, Regino

    2014-01-01

    Neutron diffraction data of DyCrO4 oxide, prepared at 4 GPa and 833 K from the ambient pressure zircon-type, reveal that crystallize with the scheelite-type structure, space group I41/a. Accompanying this structural phase transition induced by pressure the magnetic properties change dramatically from ferromagnetism in the case of zircon to antiferromagnetism for the scheelite polymorph with a T N= 19 K. The analysis of the neutron diffraction data obtained at 1.2 K has been used to d...

  8. Neutron diffraction study on formation and structure of Dsub(x)TaS2 and Hsub(x)NbS2

    International Nuclear Information System (INIS)

    Riekel, C.; Reznik, H.G.; Schoellhorn, R.; Wright, C.J.

    1978-09-01

    Cathodic reduction of 2H-TaS 2 in D 2 SO 4 was investigated by transient neutron powder diffractometry. Deuterium was found to enter the lattice in a regular way. The structural model proposed implies a strong Ta-D bond. Single crystal neutron diffraction data on Hsub(0.76)NbS 2 confirm the position of hydrogen in a three center metal bond inside the dichalcogenide layers. Structural data are in accordance with inelastic neutron scattering data. (author)

  9. First evaluation of the biologic effectiveness factors of boron neutron capture therapy (BNCT) in a human colon carcinoma cell line.

    Science.gov (United States)

    Dagrosa, Maria Alejandra; Crivello, Martín; Perona, Marina; Thorp, Silvia; Santa Cruz, Gustavo Alberto; Pozzi, Emiliano; Casal, Mariana; Thomasz, Lisa; Cabrini, Romulo; Kahl, Steven; Juvenal, Guillermo Juan; Pisarev, Mario Alberto

    2011-01-01

    DNA lesions produced by boron neutron capture therapy (BNCT) and those produced by gamma radiation in a colon carcinoma cell line were analyzed. We have also derived the relative biologic effectiveness factor (RBE) of the neutron beam of the RA-3- Argentine nuclear reactor, and the compound biologic effectiveness (CBE) values for p-boronophenylalanine ((10)BPA) and for 2,4-bis (α,β-dihydroxyethyl)-deutero-porphyrin IX ((10)BOPP). Exponentially growing human colon carcinoma cells (ARO81-1) were distributed into the following groups: (1) BPA (10 ppm (10)B) + neutrons, (2) BOPP (10 ppm (10)B) + neutrons, (3) neutrons alone, and (4) gamma rays ((60)Co source at 1 Gy/min dose-rate). Different irradiation times were used to obtain total absorbed doses between 0.3 and 5 Gy (±10%) (thermal neutrons flux = 7.5 10(9) n/cm(2) sec). The frequency of micronucleated binucleated cells and the number of micronuclei per micronucleated binucleated cells showed a dose-dependent increase until approximately 2 Gy. The response to gamma rays was significantly lower than the response to the other treatments (p irradiations with neutrons alone and neutrons + BOPP showed curves that did not differ significantly from, and showed less DNA damage than, irradiation with neutrons + BPA. A decrease in the surviving fraction measured by 3-(4,5-dimetiltiazol-2-il)-2,5-difeniltetrazolium bromide (MTT) assay as a function of the absorbed dose was observed for all the treatments. The RBE and CBE factors calculated from cytokinesis block micronucleus (CBMN) and MTT assays were, respectively, the following: beam RBE: 4.4 ± 1.1 and 2.4 ± 0.6; CBE for BOPP: 8.0 ± 2.2 and 2.0 ± 1; CBE for BPA: 19.6 ± 3.7 and 3.5 ± 1.3. BNCT and gamma irradiations showed different genotoxic patterns. To our knowledge, these values represent the first experimental ones obtained for the RA-3 in a biologic model and could be useful for future experimental studies for the application of BNCT to colon carcinoma

  10. Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin.

    Science.gov (United States)

    Yokoyama, Takeshi; Mizuguchi, Mineyuki; Nabeshima, Yuko; Kusaka, Katsuhiro; Yamada, Taro; Hosoya, Takaaki; Ohhara, Takashi; Kurihara, Kazuo; Tomoyori, Katsuaki; Tanaka, Ichiro; Niimura, Nobuo

    2012-02-01

    Transthyretin (TTR) is a tetrameric protein associated with human amyloidosis. In vitro, the formation of amyloid fibrils by TTR is known to be promoted by low pH. Here we show the neutron structure of TTR, focusing on the hydrogen bonds, protonation states and pH sensitivities. A large crystal was prepared at pD 7.4 for neutron protein crystallography. Neutron diffraction studies were conducted using the IBARAKI Biological Crystal Diffractometer with the time-of-flight method. The neutron structure solved at 2.0Å resolution revealed the protonation states of His88 and the detailed hydrogen-bond network depending on the protonation states of His88. This hydrogen-bond network is composed of Thr75, Trp79, His88, Ser112, Pro113, Thr118-B and four water molecules, and is involved in both monomer-monomer and dimer-dimer interactions, suggesting that the double protonation of His88 by acidification breaks the hydrogen-bond network and causes the destabilization of the TTR tetramer. In addition, the comparison with X-ray structure at pH 4.0 indicated that the protonation occurred to Asp74, His88 and Glu89 at pH 4.0. Our neutron model provides insights into the molecular stability of TTR related to the hydrogen-bond network, the pH sensitivity and the CH···O weak hydrogen bond. Copyright © 2012 Elsevier Inc. All rights reserved.

  11. Effect of a Long Chain Carboxylate Acid on Sodium Dodecyl Sulfate Micelle Structure: A Small-angle Neutron Scattering Study

    International Nuclear Information System (INIS)

    Arum Patriati; Edy Giri Rachman Putra

    2009-01-01

    The effect of different hydrocarbon chain length of carboxylate acid, i.e. dodecanoic acid, CH 3 (CH 2 ) 10 COOH and hexadecanoic acid, CH 3 (CH 2 ) 14 COOH as a co-surfactant in the 0.3M SDS micellar solution has been studied using small angle neutron scattering (SANS). Here, the present of dodecanoic acid has induced the SDS structural micelles. The ellipsoid micelles structures changed significantly in length (major axis) from 21.7 Armstrong to 35.5 Armstrong at a fixed minor axis of 16.7 Armstrong in the present of 0.005M to 0.1M dodecanoic acid. Nevertheless, this effect was not shown in the present of hexadecanoic acid with the same concentration range. The present of hexadecanoic acid molecules gave a small effect on growth of SDS micelles where the major axis of the micelle was simply elongated from 21.5 Armstrong to 23.5 Armstrong. It showed that the appropriate hydrocarbon chain length between surfactant and co-surfactant molecules is one of the determining factors in forming a mixed micelles structure. (author)

  12. Determination of partial structure factors of disordered alloys

    International Nuclear Information System (INIS)

    Andonov, P.

    1993-01-01

    Often, isotopic substitution method in neutron diffraction or the differential anomalous X-ray scattering, cannot be applied; ancient results obtained from approximate methods are presented for three binary alloys: liquid Pd-Si (Si-Si contribution neglected in X-ray diffraction and assumed in neutron diffraction), liquid Cd-Zn (partial functions assumed independent of the concentration), amorphous Mg-Zn (correct CSRO determination but unsuccessful attempt of the three radiations method due to a structural evolution under the electron beam); accuracy and validity limits are recalled. The example of the ternary LiNbO 3 melt is considered: two diffraction experiments from X-rays and neutrons, in conjunction with the SAXS and the crystalline distribution, made it possible to describe a local order reduced to the first neighbours. 3 figs., 12 refs

  13. Apparent consistency of Rutherford's hypothesis on the neutron structure via the hadronic generalization of quantum mechanics - 1: Nonrelativistic treatment

    International Nuclear Information System (INIS)

    Santilli, R.M.

    1991-03-01

    Rutherford conceived the existence of the neutron back in 1920 as a ''compressed hydrogen atom'', i.e., as an electron compressed (say, in the core of a star) inside the proton structure. While the existence of the neutron was subsequently confirmed, Rutherford's original conception of its structure was claimed to possess several ''inconsistencies'', i.e. the lack of a quantitative representation of rest energy, meanlife, spin, etc. In this paper we show that these ''inconsistencies'' appear to be due to the excessive approximations which are inherent in the use of the underlying discipline, ordinary quantum mechanics, for the physical conditions of Rutherford's structure. In fact, quantum mechanics can only provide a point-like abstraction of particles, and thus produce a model of Rutherford's neutron as a sort of small atomic structure, while the latter physical conditions imply the total mutual penetration of the wavepackets of the electron and of the proton one inside the other. It is shown that, if a generalization of quantum mechanics specifically conceived to represent the latter conditions (under the name of hadronic mechanics), is used to treat Rutherford's hypothesis, all ''inconsistencies'' originating in the use of quantum mechanics appear to be resolved by permitting a consistent representation of all characteristics of the neutron, such as: rest energy, meanlife, size, spin, charge, space and charge parity, (anomalous) magnetic moment, as well as the neutron decay. It is therefore conjectured that Rutherford's compression of the hydrogen atom may well be the ultimate mechanism for the creation of neutrinos in Nature. A reinspection of Barut's model on the neutron structure as a bound state of one proton, one electron and an antineutrino, is suggested for possible fundamental advances in the origin of the neutrino. (author). 47 refs, 3 figs

  14. Study of magnetic thin films by polarized neutron reflectivity. Off-specular diffusion on periodical structures

    International Nuclear Information System (INIS)

    Ott, F.

    1998-01-01

    Theoretical (Zeeman energy effects) and experimental (beam polarisation problems) progress have been made in the understanding of polarized neutron reflectivity with polarisation analysis. It has been shown that modelization and numerical simulations makes it possible to avoid to have to systematically measure a full set of reflectivity curves for each field and temperature condition. It has been possible to determine a magnetic profile as a function of the field in a magnetic bilayer system by using only a few points in the reciprocal space. This technique allows to considerable reduce the experiment time. In single nickel layer systems, we have shown that it is possible to induce magnetic rotation inhomogeneities when these systems are subjects to deformation strains. The effect are related to magneto-elastic constants gradients. In trilayer systems, with a ME constant modulation, we have been able to induce large magnetic rotation gradients. A new magneto-optic technique to measure the magnetization direction without rotating the magnetic field has been developed. The field of neutron reflectivity has been extended to off-specular studies. It has been possible to account quantitatively of the off-specular diffusion on 2-D model systems (prepared by optical lithography). This new technique should make it possible in the future to determine magnetic structures with a in-depth as well as lateral resolution. (author)

  15. Examination of total cross section resonance structure of niobium and silicon in neutron transmission experiments

    Science.gov (United States)

    Andrianova, Olga; Lomakov, Gleb; Manturov, Gennady

    2017-09-01

    The neutron transmission experiments are one of the main sources of information about the neutron cross section resonance structure and effect in the self-shielding. Such kind of data for niobium and silicon nuclides in energy range 7 keV to 3 MeV can be obtained from low-resolution transmission measurements performed earlier in Russia (with samples of 0.027 to 0.871 atom/barn for niobium and 0.076 to 1.803 atom/barn for silicon). A significant calculation-to-experiment discrepancy in energy range 100 to 600 keV and 300 to 800 keV for niobium and silicon, respectively, obtained using the evaluated nuclear data library ROSFOND, were found. The EVPAR code was used for estimation the average resonance parameters in energy range 7 to 600 keV for niobium. For silicon a stochastic optimization method was used to modify the resolved resonance parameters in energy range 300 to 800 keV. The improved ROSFOND evaluated nuclear data files were tested in calculation of ICSBEP integral benchmark experiments.

  16. Monitoring of concrete structures by using the 14 MeV tagged neutron beams

    International Nuclear Information System (INIS)

    Sudac, D.; Nad, K.; Obhodas, J.; Valkovic, V.

    2013-01-01

    The maintenance and repair of reinforced concrete structures, especially those submerged in the sea-water require effective inspection and monitoring techniques for assessing the state of corrosion in the reinforcement material. An underwater inspection system was developed which is able to monitor the corrosion of the reinforcement. The system is composed of a remotely operating vehicle (ROV) equipped with the sealed tube neutron generator (NG). By rotating the NG and by using the associated alpha particle technique it is possible to measure the concrete cover thickness together with the reinforcing bar diameter. The possibility of estimating the carbon and chloride contents in the concrete was investigated. Iron plates of different thickness, covered by 6 cm thick concrete block, were successfully detected and the thickness of the concrete cover was estimated. In addition, reinforcing bar of one and 3 cm in diameter were identified and measured. All measurements could be performed without cleaning the concrete surface from fouling material. -- Highlights: • An underwater inspection system was developed which is able to monitor the state of reinforcement corrosion. • The system is composed of a remotely operating vehicle (ROV) equipped with the sealed tube neutron generator (NG). • All measurements could be performed without cleaning the concrete surface from fouling material

  17. Neutron scattering studies of domain structures in type-II superconductor niobium

    Energy Technology Data Exchange (ETDEWEB)

    Reimann, Tommy; Schulz, Michael [Heinz Maier-Leibnitz Zentrum (MLZ), TU Muenchen, Garching (Germany); Physikdepartment E21, TU Muenchen, Garching (Germany); Muehlbauer, Sebastian [Heinz Maier-Leibnitz Zentrum (MLZ), TU Muenchen, Garching (Germany); Gruenzweig, Christian [Paul-Scherrer-Institut, Villigen (Switzerland); Boeni, Peter [Physikdepartment E21, TU Muenchen, Garching (Germany)

    2014-07-01

    In the intermediate mixed state (IMS) of a type II superconductor (SC), the sample splits up into Meissner domains and Shubnikov domains which carry the vortex lattice (VL). A detailed investigation of these domain patterns offers the possibility to study general characteristics of domain nucleation and morphology as well as the physical properties of vortex-vortex and vortex-pinning interactions. In this talk we show that ultra small angle neutron scattering (USANS) can be used for the identification of VL properties. We have studied the VL domain morphology in a Nb single crystal disc that exhibit strong vortex pinning. USANS is sensitive to structures with sizes up to 20 microns and is therefore capable to probe IMS domains which is not possible with the commonly used small angle neutron scattering (SANS). Furthermore, USANS averages over the whole sample and hence probes the bulk of the material in contrast to magneto optical methods. Our investigation on the IMS of Nb reveals a preferred domain size with a strong dependence on magnetic field and sample thickness. Surprisingly, the average domain size is nearly independent of the temperature in a field cooled measurement giving some hint on the nature of field expulsion in the IMS of samples with significant pinning.

  18. Simulation study of the photon quality correction factors of ionization chambers for FiR 1 epithermal neutron beam

    International Nuclear Information System (INIS)

    Koivunoro, H.; Uusi-Simola, J.; Savolainen, S.; Kotiluoto, P.; Auterinen, I.; Kosunen, A.

    2006-01-01

    At FiR 1 BNCT facility in Finland, neutron-insensitive Mg(Ar) ionization chambers are used for photon dose measurements in an epithermal neutron beam. Previously, photon sensitivity factors for the chamber for the measurements in a water phantom in FiR 1 beam have been determined experimentally from measurements in 60 Co gamma and in a 6 MV clinical accelerator photon beams. However, the response of the ionization chamber in a water phantom depends on energy spectrum and angle of the photons and the secondary electrons created inside the phantom and may differ depending on type of the irradiation source (accelerator vs. an epithermal neutron beam). Also, the experimental sensitivity factor does not take into account the possible perturbations in the photon production in phantom caused by the ionization chamber materials. Therefore, it is necessary to determine the photon quality correction factors (k Qγ ) for the Mg(Ar) chamber at the FiR 1 beam through computer simulations. In this study, the k Qγ factors have been determined for Mg(Ar) chamber from Monte Carlo calculations of absorbed photon dose at two depths in a water phantom using MCNP code. The k qγ factors obtained with this method are compared to the sensitivity factors determined with measurements in an accelerator photon beam and to the k Qγ factors published previously. (author)

  19. High temperature neutron diffraction studies of PrInO3 and the measures of perovskite structure distortion.

    Science.gov (United States)

    Baszczuk, A; Dabrowski, B; Avdeev, M

    2015-06-21

    The crystal structure of PrInO(3) was investigated in the temperature range 303-1123 K by high-resolution neutron-powder diffraction. The PrInO(3) adopts a highly distorted variant of the perovskite structure with the orthorhombic Pnma space group in the whole temperature range investigated. The bond length and bond-angle analysis revealed a very slow tendency to decrease structural distortion with increasing temperature. Comparison of different parameters quantifying perovskite structure distortion calculated for PrInO(3) and the similar PrAlO(3) and PrGaO(3) shows the advantage of using the tolerance factor t12 calculated for the 12-fold coordinated Pr by geometrical averaging of the individual interatomic distances. An additional advantage of the tolerance factor method results from the possibility of extending it to predict the average structural distortion and the geometrical stability of the perovskites at various temperatures once the accurate dependence of t(x,T,d) on the composition, temperature and oxygen content is found. By comparing PrInO(3) with several AMO(3) perovskites containing ions in the fixed oxidation state on the A and M crystal sites it was found that structural distortion and the tolerance factor t12 for PrInO(3) are consistent with the empirical thermal expansion coefficient based on the bond strength calculation [R. M. Hazen, and C. T. Prewitt, Am. Mineral., 1977, 62(3-4), 309]. In contrast to perovskites AMO(3-d) containing mixed-valent M ions, which allow for a wide range of changes of the tolerance factor t(12)(T,d) as a function of oxygen content, perovskites AMO(3) with M ions in the fixed oxidation state show much less flexibility. This flexibility is further reduced for the A(3+)M(3+)O(3) perovskites like PrInO(3) for which even a large change of the synthesis temperature has a minor effect on controlling the resulting t(12)(T) and the structural phase in comparison with A(2+)M(4+)O3 perovskites. The only parameter left for A(3+)M

  20. Experimental determination of neutron capture cross sections of fast reactor structure materials integrated in intermediate energy spectra. Vol. 2: description of experimental structure

    International Nuclear Information System (INIS)

    Tassan, S.

    1978-01-01

    A selection of technical documents is given concerning the experimental determination of the neutron capture cross-sections of fast reactor structural materials (Fe, Cr, Ni...) integrated over the intermediate energy spectra. The experimental structure project and modifications of the reactor RB2 for this experiment, together with criticality and safety calculations, are presented

  1. Hydrogen and hydration structures of macromolecule revealed by neutron crystallographic analyses

    International Nuclear Information System (INIS)

    Chatake, Toshiyuki; Morimoto, Yukio

    2007-01-01

    In order to reveal the hydration structure of B-DNA and Z-DNA, a neutron diffraction study has been performed at 3.5 and 1.8 A resolution, respectively. The results of Z-DNA are mainly described in this report. It has been generally accepted that almost all water molecules in the minor groove are well ordered in the crystal, while 40% of the water molecules in the major groove are rotationally disordered. However, partial fluctuation of the water molecules is observed even in the minor groove. Hemoglobin (Hb) consists of two α and β subunits and transports oxygen. The α and β subunits are structurally and evolutionarily related each other and each subunit has an oxygen binding site which is called heme. Depending on oxygen attachment, Hb has two structural states, T(tense) which has low O 2 affinity and R(relax) which has high O 2 affinity. Neutron diffraction crystallography has been performed in deoxygenated Hb in the T state without oxygen bonds, and the hydrogen-binding process of histidine residue is discussed in detail. Allosteric effects in Nb arise from the equilibrium between T and R states. The importance of the hydrogen bond between α and β subunits was pointed out in the allosteric effects. The solvent exchange rates of side chain protons of His α 103 and His α 122 have been measured in both deoxygenated and ligated Hb by NMR. This mechanism of the difference of the exchange rate between R and T states in His α 103 and His α 122 is discussed. (author)

  2. Neutron reflectometry

    DEFF Research Database (Denmark)

    Klösgen-Buchkremer, Beate Maria

    2014-01-01

    Neutron (and X-ray) reflectometry constitute complementary interfacially sensitive techniques that open access to studying the structure within thin films of both soft and hard condensed matter. Film thickness starts oxide surfaces on bulk substrates, proceeding to (pauci-)molecular layers and up...... to hundreds of nanometers. Thickness resolution for flat surfaces is in the range of few Ǻngstrøm, and as a peculiar benefit, the presence and properties of buried interfaces are accessible. Focus here will be on neutron reflectometry, a technique that is unique in applications involving composite organic...... films or films with magnetic properties. The reason is the peculiar property of neutron light since the mass of a neutron is close to the one of a proton, and since it bears a magnetic moment. The optical properties of matter, when interacting with neutrons, are described by a refractive index...

  3. Structural formation of huntingtin-like aggregates probed by small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Stanley, Christopher B [ORNL; Perevozchikova, Tatiana [ORNL; Berthelier-Jung, Valerie M [ORNL

    2011-01-01

    In several neurodegenerative disorders, including Huntington s disease (HD), aspects concerning the earliest of protein structures that form along the aggregation pathway have increasingly gained attention since these particular species are likely to be neurotoxic. We used time-resolved small-angle neutron scattering (SANS) to probe in solution these transient structures formed by peptides having the N-terminal sequence context of mutant huntingtin (Htt) exon 1. We obtained snapshots of the formed aggregates as the kinetic reaction ensued to yield quantitative information on their size and mass. At the early stage, small precursor species with an initial radius of gyration (Rg) of 16.1 5.9 and average mass of a dimer to trimer were monitored. Structural growth was treated as two modes with a transition from three-dimensional early aggregate formation to two-dimensional fibril growth and association. Our SANS results on the internal structure of the mature fibrils demonstrate loose packing with about 1 peptide per 4.75 -sheet repeat distance, which is shown to be quantitatively consistent with a -helix model. This research provides new insights into the structures forming along the pathway of Htt exon 1 aggregation and should assist in determining the role that precursors play in neuronal toxicity.

  4. Crystal Structure of Pr3MgNi14Dx Studied by in Situ Neutron Diffraction.

    Science.gov (United States)

    Iwase, Kenji; Mori, Kazuhiro; Terashita, Naoyoshi; Tashiro, Suguru; Suzuki, Tetsuya

    2017-06-19

    The crystal structure of Pr 3 MgNi 14 D 18 was determined by neutron diffraction. The determined structure of Pr 3 MgNi 14 D 18 consisted of 89.0% Gd 2 Co 7 -type structure and 11.0% PuNi 3 -type structure. The lattice parameters of a and c of Gd 2 Co 7 -type structure were refined at 0.52903(7) nm and 3.90179(1) nm. The deuterium atoms were distributed among nine deuterium sites in both the CaCu 5 -type and MgZn 2 -type cells. The D2 occupancy in the Pr 2 Ni 4 octahedral sites of the CaCu 5 -type cell was the largest (0.75) when compared with the other deuterium sites (<0.49). The deuterium content of the CaCu 5 -type cell showed 0.75 D/M, but the D/M value of the MgZn 2 -type cell was 1.53. The volume expansions during deuteration of the CaCu 5 -type and MgZn 2 -type cells were nearly equal. The cyclic hydrogenation property of Pr 3 MgNi 14 is comparable to that of LaNi 5 . It is inferred that the similar expansion behavior of the CaCu 5 -type and MgZn 2 -type cells during deuteration is the origin of this cyclic stability.

  5. Discrimination of the wall effect in a thin counter with micro-gap structure for neutron position sensing

    Energy Technology Data Exchange (ETDEWEB)

    Sakae, Takeji; Manabe, Tohru; Kitamura, Yasunori; Nohtomi, Akihiro [Kyushu Univ., Fukuoka (Japan); Sakamoto, Sigeyasu

    1996-07-01

    Simulation by the Monte Carlo method is applied to estimate the wall effect in a thermal neutron counter having a new function for discriminating the effect. The counter is designed to have paralleled electrodes with micro-gap structure. A resistive anode is used for position sensing on the center of a set of the three electrode. The structure can be made by simple arrangement of anode and cathode wires on an insulator plane. The calculation shows discrimination of the wall effect can be achieved by coincident counting of two or three elements included in the counter. By using the coincident counting, the thickness of the neutron counter can be made into 1 mm with the information of the total energy created in the neutron detection. (author)

  6. Dancoff factors of unit cells in cluster geometry with partial absorption of neutrons; Fatores de Dancoff de celulas unitarias em geometria cluster com absorcao parcial de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, Leticia Jenisch

    2011-01-15

    In its classical formulation, the Dancoff factor for a perfectly absorbing fuel rod is defined as the relative reduction in the incurrent of resonance neutrons into the rod in the presence of neighboring rods, as compared to the incurrent into a single fuel rod immersed in an infinite moderator. Alternatively, this factor can be viewed as the probability that a neutron emerging from the surface of a fuel rod will enter another fuel rod without any collision in the moderator or cladding. For perfectly absorbing fuel these definitions are equivalent. In the last years, several works appeared in literature reporting improvements in the calculation of Dancoff factors, using both the classical and the collision probability definitions. In this work, we step further reporting Dancoff factors for perfectly absorbing (Black) and partially absorbing (Grey) fuel rods calculated by the collision probability method, in cluster cells with square outer boundaries. In order to validate the results, comparisons are made with the equivalent cylindricalized cell in hypothetical test cases. The calculation is performed considering specularly reflecting boundary conditions, for the square lattice, and diffusive reflecting boundary conditions, for the cylindrical geometry. The results show the expected asymptotic behavior of the solution with increasing cell sizes. In addition, Dancoff factors are computed for the Canadian cells CANDU-37 and CANFLEX by the Monte Carlo and Direct methods. Finally, the effective multiplication factors, k{sub eff}, for these cells (cluster cell with square outer boundaries and the equivalent cylindricalized cell) are also computed, and the differences reported for the cases using the perfect and partial absorption assumptions. (author)

  7. Neutron dosimetry; Dosimetria de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Fratin, Luciano

    1993-12-31

    A neutron irradiation facility was designed and built in order to establish a procedure for calibrating neutron monitors and dosemeters. A 185 GBq {sup 241} Am Be source of known is used as a reference source. The irradiation facility using this source in the air provides neutron dose rates between 9 nSv s{sup -1} and 0,5 {sup {mu}}Sv s{sup -1}. A calibrated 50 nSv s{sup -1} thermal neutron field is obtained by using a specially designed paraffin block in conjunction with the {sup 241} Am Be source. A Bonner multisphere spectrometer was calibrated, using a procedure based on three methods proposed by international standards. The unfold {sup 241} Am Be neutron spectrum was determined from the Bonner spheres data and resulted in a good agreement with expected values for fluence rate, dose rate and mean energy. A dosimetric system based on the electrochemical etching of CR-39 was developed for personal dosimetry. The dosemeter badge using a (n,{alpha}) converter, the etching chamber and high frequency power supply were designed and built specially for this project. The electrochemical etching (ECE) parameters used were: a 6N KOH solution, 59 deg C, 20 kV{sub pp} cm{sup -1}, 2,0 kHz, 3 hours of ECE for thermal and intermediate neutrons and 6 hours for fast neutrons. The calibration factors for thermal, intermediate and fast neutrons were determined for this personal dosemeter. The sensitivities determined for the developed dosimetric system were (1,46{+-} 0,09) 10{sup 4} tracks cm{sup -2} mSv{sup -1} for thermal neutrons, (9{+-}3) 10{sup 2} tracks cm{sup -2} mSV{sup -1} for intermediate neutrons and (26{+-}4) tracks cm{sup -2} mSv{sup -1} for fast neutrons. The lower and upper limits of detection were respectively 0,002 mSv and 0,6 mSv for thermal neutrons, 0,04 mSv and 8 mSv for intermediate neutrons and 1 mSv and 12 mSv for fast neutrons. In view of the 1990`s ICRP recommendations, it is possible to conclude that the personal dosemeter described in this work is

  8. parity assignment of the pronounced structure in the radiative capture of neutrons by 238U below 100 keV

    International Nuclear Information System (INIS)

    Moore, M.S.; Corvi, F.; Mewissen, L.; Poortmans, F.

    1981-01-01

    Some years ago, Perez and de Saussure reported evidence for intermediate structure in the radiative capture cross sections of 238 U. More recently, these and additional data, obtained by a different experimental technique but which showed the same non-statistical behavior, were analyzed by Perez et al. Under the assumption that the structure could be attributed to doorway states in the p/sup 3/2/ neutron channel. The results of an experimental determination of the parity of the structure, using neutron capture-gamma ray spectroscopy are reported. Much of the structure below 50 keV appears to be due to s-wave interactions. The magnitude of the fluctuations is much larger than can be calculated with the usual unresolved - resonance treatment unless the average neutron and radiative-capture widths are correlated. It is shown that such an apparent correlation can arise as a result of multiple-scattering enhancement of radiative capture in the samples used, and it is concluded that the evidence for intermediate structure in the capture of neutrons by 238 U is not yet firmly established

  9. New Advances in Neutron Diffraction Studies of Molecular Aqueous Solutions

    OpenAIRE

    Finney, J. L.

    1992-01-01

    Neutron scattering studies have played a major role in improving our understanding of the structures not only of simple single component liquids, but increasingly of mixtures and solutions. In addition to the improved quality of structural information available from neutrons (cf X-rays) resulting from the Q-indcpcndcnt neutron scattering factor and the ability to obtain high resolution information through access to high momentum transfer Q, the use of isotopes allows information at the partia...

  10. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    Abstract. In order to get the exact hydrogen-bonding scheme in triglycine sulphate. (TGS), which is an important hydrogen bonded ferroelectric, a single crystal neutron diffraction study was undertaken. The structure was refined to an R-factor of R[F2] = 0.034. Earlier neutron structure of TGS was reported with a very limited ...

  11. Small-angle neutron-scattering studies of mixed micellar structures made of dimeric surfactants having imidazolium and ammonium headgroups.

    Science.gov (United States)

    Pal, Asish; Datta, Sougata; Aswal, V K; Bhattacharya, Santanu

    2012-11-08

    Planar imidazolium cation based gemini surfactants [16-Im-n-Im-16], 2Br(-) (where n = 2, 3, 4, 5, 6, 8, 10, and 12), exhibit different morphologies and internal packing arrangements by adopting different supramolecular assemblies in aqueous media depending on their number of spacer methylene units (CH(2))(n). Detailed measurements of the small-angle neutron-scattering (SANS) cross sections from different imidazolium-based surfactant micelles in aqueous media (D(2)O) are reported. The SANS data, containing the information of aggregation behavior of such surfactants in the molecular level, have been analyzed on the basis of the Hayter and Penfold model for the macro ion solution to compute the interparticle structure factor S(Q) taking into account the screened Coulomb interactions between the dimeric surfactant micelles. The characteristic changes in the SANS spectra of the dimeric surfactant with n = 4 due to variation of temperature have also been investigated. These data are then compared with the SANS characterization data of the corresponding gemini micelles containing tetrahedral ammonium ion based polar headgroups. The critical micellar concentration of each surfactant micelle (cmc) has been determined using pyrene as an extrinsic fluorescence probe. The variation of cmc as a function of spacer chain length has been explained in terms of conformational variation and progressive looping of the spacer into the micellar interior upon increasing the n values. Small-angle neutron-scattering (SANS) cross sections from different mixed micelles composed of surfactants with ammonium headgroups, 16-A(0), [16-Am-n-Am-16], 2Br(-) (where n = 4), 16-I(0), and [16-Im-n-Im-16], 2Br(-) (where n = 4), in aqueous media (D(2)O) have also been analyzed. The aggregate composition matches with that predicted from the ideal mixing model.

  12. Structure dependence of final-state effects in deep inelastic neutron scattering: Quasiclassical theory

    Energy Technology Data Exchange (ETDEWEB)

    Silver, R.N.; Reiter, G.

    1987-03-01

    Using a quasiclassical approximation, we calculate the Q..-->..infinity limit of S(Q,..omega..) for finite potentials with a hard core. For yequivalentm(..omega..-h-dash-barQ/sup 2//2m)/h-dash-barQ, we find QS(Q,..omega..) equals a convolution of the impulse-approximation result F/sub IA/(y) with a ''final-state'' resolution function, R/sub FS/(y), which depends on the structure of the material through the radial distribution function g(r). For realistic g(r), R/sub FS/(y) has smaller full width at half maximum than the Hohenberg-Platzman prediction, zero second moment, and no Lorentzian wings. We compare with previous theoretical work, and we discuss the determination of momentum distributions in quantum solids and fluids from deep-inelastic neutron scattering data.

  13. Effect of neutron radiation on mechanical properties of permanent near core structures

    International Nuclear Information System (INIS)

    Tavassoli, A.A.

    1988-01-01

    Several hundred specimens have been tested in order to assess the effects of low dose neutron radiation ( 0 C and ductility and toughness are primary design concerns, the changes provoked, by doses up to 1.3 dpa, in overall mechanical properties of welded joints are small. For upper core structure, where the operating temperature is about 550 0 C and fatigue and creep resistance are major design needs, the changes induced, through formation of up to about 2 appm helium, in conventional fatigue properties or fatigue with short hold times are negligible. With increasing hold time, intergranular rupture in irradiated specimens is enhanced but the limited number of tests does not allow definite conclusions to be drawn. 53 refs, 3 tabs, 9 figs

  14. Uranium Hydridoborates: Synthesis, Magnetism, and X-ray/Neutron Diffraction Structures.

    Science.gov (United States)

    Braunschweig, H; Gackstatter, A; Kupfer, T; Radacki, K; Franke, S; Meyer, K; Fucke, K; Lemée-Cailleau, M-H

    2015-08-17

    While uranium hydridoborate complexes containing the [BH4](-) moiety have been well-known in the literature for many years, species with functionalized borate centers remained considerably rare. We were now able to prepare several uranium hydridoborates (1-4) with amino-substituted borate moieties with high selectivity by smooth reaction of [Cp*2UMe2] (Cp* = C5Me5) and [Cp'2UMe2] (Cp' = 1,2,4-tBu3C5H2) with the aminoborane H2BN(SiMe3)2. A combination of nuclear magnetic resonance spectroscopy, deuteration experiments, magnetic SQUID measurements, and X-ray/neutron diffraction studies was used to verify the anticipated molecular structures and oxidation states of 1-4 and helped to establish a linear tridentate coordination mode of the borate anions.

  15. Revealing the membrane-bound structure of neurokinin A using neutron diffraction

    Science.gov (United States)

    Darkes, Malcolm J. M.; Hauss, Thomas; Dante, Silvia; Bradshaw, Jeremy P.

    2000-03-01

    Neurokinin A (or substance K) belongs to the tachykinin family, a group of small amphipathic peptides that bind to specific membrane-embedded, G-protein coupled receptors. The agonist/receptor complex is quaternary in nature because the receptor binding sites are thought to be located within the lipid bilayer and because the role of water cannot be ignored. The cell membrane acts as a solvent to accumulate peptide and an inducer of peptide secondary structure. The three-dimensional shape that the peptide assumes when associated to the cell membrane will be an important parameter with regards to the receptor selectivity and affinity. Neutron diffraction measurements were carried out in order to define the location of the N-terminus of the peptide in synthetic phospholipid multi-bilayer stacks.

  16. Quantitative 3D determination of self-assembled structures on nanoparticles using small angle neutron scattering.

    Science.gov (United States)

    Luo, Zhi; Marson, Domenico; Ong, Quy K; Loiudice, Anna; Kohlbrecher, Joachim; Radulescu, Aurel; Krause-Heuer, Anwen; Darwish, Tamim; Balog, Sandor; Buonsanti, Raffaella; Svergun, Dmitri I; Posocco, Paola; Stellacci, Francesco

    2018-04-09

    The ligand shell (LS) determines a number of nanoparticles' properties. Nanoparticles' cores can be accurately characterized; yet the structure of the LS, when composed of mixture of molecules, can be described only qualitatively (e.g., patchy, Janus, and random). Here we show that quantitative description of the LS' morphology of monodisperse nanoparticles can be obtained using small-angle neutron scattering (SANS), measured at multiple contrasts, achieved by either ligand or solvent deuteration. Three-dimensional models of the nanoparticles' core and LS are generated using an ab initio reconstruction method. Characteristic length scales extracted from the models are compared with simulations. We also characterize the evolution of the LS upon thermal annealing, and investigate the LS morphology of mixed-ligand copper and silver nanoparticles as well as gold nanoparticles coated with ternary mixtures. Our results suggest that SANS combined with multiphase modeling is a versatile approach for the characterization of nanoparticles' LS.

  17. Structure of the neutron rich Ga and Ge isotopes observed at ALTO

    International Nuclear Information System (INIS)

    Verney, D.; Lebois, M.; Ibrahim, F.

    2009-01-01

    During test runs dedicated to the commissioning of ALTO (Accelerateur Lineaire et Tandem a Orsay), β and β-n decay of the very neutron rich 31 84 Ga 53 could be observed at the tape station installed on-line with the PARRNe mass-separator. γ-lines observed in the resulting spectra and a careful analysis of the balance of their relative intensities point toward the existence of two β-decaying states in 84 Ga. The decay of these long-lived states appear to feed the 2 1 + and 4 1 + excited states of 32 84 Ge 52 and the 1/2 1 + state in 32 83 Ge 51 allowing a significant improvement of the knowledge on nuclear structure in the immediate vicinity of 78 Ni. (author)

  18. Verification of Structural Simulation Results of Metal-based Additive Manufacturing by Means of Neutron Diffraction

    Science.gov (United States)

    Krol, T. A.; Seidel, C.; Schilp, J.; Hofmann, M.; Gan, W.; Zaeh, M. F.

    Metal-based additive processes are characterized by numerous transient physical effects, which exhibit an adverse influence on the production result. Hence, various research approaches for the optimization of e. g. the structural part behavior exist for layered manufacturing. Increasingly, these approaches are based on the finite element analysis to be able to understand the complexity. Hereby it should be considered that the significance of the calculation results depends on the quality of modeling the process in the simulation environment. Based on a selected specimen, the current work demonstrates in which way the numerical accuracy of the residual stress state can be analyzed by utilizing the neutron diffraction. Thereby, different process parameter settings were examined.

  19. Application of XLENS® program to neutron diffraction data: solving crystal structures with positive and negative scatterers

    International Nuclear Information System (INIS)

    Rius, J; Frontera, C; Miravitlles, C

    2014-01-01

    Direct methods based on the origin-free modulus sum function (S) were first adapted in 1994 to the processing of intensity data from density functions with positive and negative scatterers. Nevertheless, that implementation used phase relationships explicitly with the inherent limitation introduced by the time consuming manipulation of quartets. This limitation was removed with the introduction of the S-FFT algorithm (maximising S with only Fourier transforms) and its posterior adaptation S 2 -FFT for non-positive definite density functions. In the present work both algorithms are reformulated into a generalized one, thus simplifying their implementation in the XLENS® program. The resulting unified S-FFT algorithm is highly effective for crystal structures with at least one medium-heavy scatterer in the unit cell. We have successfully applied it on neutron diffraction data of compounds with negative Fermi lengths

  20. The E142 SLAC experiment: measurement of the neutron gn1(x) spin structure function

    International Nuclear Information System (INIS)

    Roblin, Y.

    1995-01-01

    This thesis describes the E142 experiment which has been carried out at the Stanford Linear Accelerator (SLAC), USA, from October to December 1992. This experiment of polarized inelastic scattering of a 22.6 GeV electron beam on a polarized helium 3 target has allowed the first measurement of the neutron g n 1 (x) spin structure function. The knowledge of this structure function gives informations on the nucleon spin structure. On the other hand, the g n 1 (x) structure function integral value on the 0 2 mean value of 2 GeV 2 after some extrapolations. This value is at about two standard deviations away from the theoretical predictions of the Ellis-Jaffe rule. Thanks to the existing experimental results for the proton (E143 experiment), the Bjorken sum rule has been precisely tested and is perfectly compatible with the theoretical value. The results have allowed to estimate the nucleon spin fraction carried by the quarks. (J.S.). 86 refs., 58 figs., 13 tabs

  1. Crystal structure investigations on cation-substituted alums by X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Abdeen, A.M.

    1980-04-01

    The crystal structures of the three alums: NH 4 Al(SO 4 ) 2 .12H 2 O, (NH 3 CH 3 )Al(SO 4 ) 2 .12H 2 O and (NH 3 OH)Al(SO 4 ) 2 .12H 2 O have been determined from three-dimensional neutron diffraction data enhanced by X-ray diffraction when necessary. These compounds crystallize cubic in space group Pa3. The structures of the three alums exhibit partial occupancies of crystallographic sites for the NH 4 , (NH 3 CH 3 ) and (NH 3 OH) group atoms. This can be explained by a quantized rotation of the three groups around an axis perpendicular to the [111] direction. Some of the (SO 4 ) 2- groups in the NH 4 -alum are disordered with about 17% of the sulfate tetrahedra being in a reversed orientation around the sulfur atom. The disorder in (NH 3 CH 3 ) and (NH 3 OH)-alums is only 4,3% and 3.0% respectively. The atoms in the alum structures are held together by a system of hydrogen bonds between the water molecules and between the water molecules and the sulfate oxygen atoms. In these three structures there is a strong indication that shorter hydrogen bonds tend to be nearly linear. (orig.)

  2. Structure of As(x)Te(100-x) (20neutron diffraction, and reverse Monte Carlo simulation.

    Science.gov (United States)

    Jóvári, P; Yannopoulos, S N; Kaban, I; Kalampounias, A; Lishchynskyy, I; Beuneu, B; Kostadinova, O; Welter, E; Schöps, A

    2008-12-07

    A systematic and detailed investigation of the structure of As(x)Te(100-x) glasses (20techniques including high energy x-ray diffraction, neutron diffraction, and x-ray absorption fine structure measurements at the As and Te K edges. The experimental datasets were modeled simultaneously with the reverse Monte Carlo simulation technique. The results revealed that homonuclear bonding for both As and Te atoms is important over the whole glass concentration region studied. At the stoichiometric composition (As(40)Te(60)) the average As-As and Te-Te coordination numbers are as high as 1.7+/-0.2 and 1.3+/-0.1, respectively. The number of As-As and Te-Te bonds, as well as the average number of bonds/atom, evolves monotonically with composition. Arsenic atoms are threefold coordinated for all compositions investigated. It has also been shown that, in contrast to the results of previous studies, Te is predominantly twofold coordinated for xcomparison has been advanced between the structural details obtained from the present study and several physicochemical properties of As-Te. The comparison revealed striking similarities between the concentration dependence of structural and physicochemical properties.

  3. Comparison of micelle structure of glycolipids with different head groups by small angle neutron scattering

    International Nuclear Information System (INIS)

    He, Lizhong; Middelberg, Anton; Hartmann, Thorsten; Niemeyer, Bernd; Garamus, V.M.; Willumeit, Regine

    2005-01-01

    Full text: Glycolipids such as n-alkyl- beta-D-glucopyranoside and n-alkyl- beta-D-maltopyranoside can self-assemble into different structures depending on solution conditions. Their amphiphilic properties enable them to serve as biosurfactants in biology and biotechnology, especially for solubilizing membrane proteins. The physicochemical properties of glycolipids have attracted attentions from several research groups, aiming to better understand their application in biological and environmental processes. For example, small angle neutron and X-ray scattering have been used to study micelle structures formed by glycolipids. Our previous work has shown that n-octyl-beta- D-glucopyranoside and n-octyl- beta-D-maltopyranoside form micelles with different structure, suggesting an important role of the sugar head group in micelle formation. In the present work, we further compare micelle structures of n-octyl- beta-Dglucopyranoside and n-octyl- beta-D-galactopyranoside. These two glycolipids have the same hydrophobic tail and their head sugar groups differ only in the conformation with one hydroxyl group pointing to different direction. Our SANS data together with phase behaviours reported by other group have suggested that a slight alteration of head group conformation can significantly affect self-assembly of glycolipids. (authors)

  4. Small-Angle Neutron Scattering for Structural Biology of Protein-RNA Complexes.

    Science.gov (United States)

    Gabel, Frank

    2015-01-01

    This chapter deals with the applications of small-angle neutron scattering (SANS) for the structural study of protein-RNA complexes in solution. After a brief historical introduction, the basic theory and practical requirements (e.g., sample state) for SANS experiments will be treated. Next, model-free parameters, such as the molecular mass and the radius of gyration, which can be obtained without a priori structural information, will be introduced. A more detailed section on the specific properties of SANS (with respect to its sister technique, small-angle X-ray scattering), and their implications on possibilities and limits of model building and interpretation will be discussed with a focus on protein-RNA systems. A practical illustration of the information content of SANS data will be given by applying ab initio modeling to a tRNA-synthetase system of known high-resolution structure. Finally, two present state-of-the-art examples that combine SANS data with complementary structural biology techniques (NMR and crystallography) will be presented and possible future developments and applications will be discussed. © 2015 Elsevier Inc. All rights reserved.

  5. The use of neutron imaging for the study of honeycomb structures in aircraft

    International Nuclear Information System (INIS)

    Hungler, P.C.; Bennett, L.G.I.; Lewis, W.J.; Brenizer, J.S.; Heller, A.K.

    2009-01-01

    Highly maneuverable aircraft, such as the CF188 Hornet, have several flight control surfaces on both the leading and the trailing edges of the wing surfaces. They are composed of composite panels constructed of aluminum honeycomb core usually covered with graphite epoxy skins. Although very light and structurally stiff, they are being compromised by water ingress. The trapped water degrades their structural integrity by interacting with the adhesive. Various studies are underway to understand the movement of water in the honeycomb core as well as to determine a method of removing the water. With a vertical neutron beam tube at Royal Military College (RMC), the component can be positioned horizontally and the pooled water in each honeycomb cell can be imaged. These images have been compared with those from a horizontal beam and thus vertical placement of the structure at Pennsylvania State University Radiation Science and Engineer Center's Breazeale reactor. Thereby, both the filet bond between the honeycomb and the skin as well as the node bond between the honeycomb cells can be studied to determine their contribution to the movement of water throughout the structure. Moreover, the exit path for water has been visualized as part of developing a drying procedure for these flight control surfaces.

  6. Structure of stable binary neutron star merger remnants: A case study

    Science.gov (United States)

    Kastaun, W.; Ciolfi, R.; Giacomazzo, B.

    2016-08-01

    In this work, we study the merger of two neutron stars with a gravitational mass of 1.4 M⊙ each, employing the Shen-Horowitz-Teige equation of state. This equation of state is a corner case, allowing the formation of a stable neutron star with the given total baryonic mass of 3.03 M⊙. We investigate in unprecedented detail the structure of the remnant, in particular the mass distribution, the thermal structure, and the rotation profile. We also compute fluid trajectories both inside the remnant and those relevant for the formation of the disk. We find a peanut-shaped fluid flow inside the remnant following a strong m =2 perturbation. Moreover, the flow is locally compressive, causing the appearance of dynamic hot spots. Further, we introduce new diagnostic measures that are easy to implement in numeric simulations and that allow one to quantify mass and compactness of merger remnants in a well-defined way. As in previous studies of supra- and hypermassive stars, we find a remnant with a slowly rotating core and an outer envelope rotating at nearly Keplerian velocity. We compute a Tolman-Oppenheimer-Volkoff star model which agrees well with that of the remnant in the core, while the latter possesses extensive outer layers rotating close to Kepler velocity. Finally, we extract the gravitational wave signal and discuss the detectability with modern observatories. This study has implications for the interpretation of gravitational wave detections from the postmerger phase and is relevant for short gamma-ray burst models.

  7. The shielding performance of multilayer composite shielding structures to 14.8 MeV fast neutrons

    International Nuclear Information System (INIS)

    Shen Zhiqiang; Kang Qing; Xu Jun; Wang Zhenggang; Lu Nan

    2014-01-01

    Cement-based round thin-layer samples mixed with 30% quality content of barite, and 20% quality content of carbide boron has Prepared, the same-diameter sliced samples of pure graphite and pure polyethylene has cut, then, samples combination and cross stack order has designed, formed four species Multilayer Composite shield structure, at last, neutron attenuation measurements has been done by experimental system of using 14.8 MeV neutrons from the 5SDH-2 accelerator and long counter composition, penetrating rate of samples and the shield structure to 14.8 MeV fast neutron has tested, and attenuation section has calculated. Results show that 14.8 MeV fast neutrons to higher penetration rates of thin layer samples, attenuation cross section of samples distinguish small between each other, must be increasing the thickness of the samples to reduce the experimental uncertainty; through composed of attenuation cross section and thickness parameters of composite structure, can more accurately predict the shielding ability of composite structures, error between calculation results and experimental results in 4%. (authors)

  8. A neutron diffraction study of the structure of heavy water at pressure using a new high-pressure cell

    International Nuclear Information System (INIS)

    Neilson, G.W.; Page, D.I.; Howell, W.S.

    1979-01-01

    Neutron diffraction measurements have been made at pressures up to 1 kbar on heavy water contained in a high-pressure cell manufactured from titanium zirconium alloy. The results have been used to test the degree to which the microscopic structure is susceptible to isothermal compression. The likely future progress in this field is commented on. (author)

  9. Dipolar structures in magnetite ferrofluids studied with small-angle neutron scattering with and without applied magnetic field

    NARCIS (Netherlands)

    Klokkenburg, M.; Erne, B.H.; Wiedenmann, A.; Petukhov, A.V.; Philipse, A.P.

    2007-01-01

    Field-induced structure formation in a ferrofluid with well-defined magnetite nanoparticles with a permanent magnetic dipole moment was studied with small-angle neutron scattering (SANS) as a function of the magnetic interactions. The interactions were tuned by adjusting the size of the

  10. Status review of methods for the calculation of fast neutron nuclear data for structural materials of fast and fusion reactors

    International Nuclear Information System (INIS)

    Goulo, V.

    1989-01-01

    The report contains the texts of the 9 invited papers delivered during the Second Research Co-ordination Meeting on ''Methods for the Calculation of Fast Neutron Nuclear Data for Structural Materials and Fast and Fusion Reactors'' held in Vienna during 15-17 February 1988. A separate abstract was prepared for each of these 9 papers. Refs, figs and tabs

  11. Neutron diffraction as a precise and reliable method for obtaining structural properties of bulk quantities of graphene

    Czech Academy of Sciences Publication Activity Database

    Sofer, Z.; Šimek, P.; Jankovský, O.; Sedmidubský, D.; Beran, Přemysl; Pumera, M.

    2014-01-01

    Roč. 6, č. 21 (2014), s. 13082-13089 ISSN 2040-3364 R&D Projects: GA MŠk(XE) LM2011019 Institutional support: RVO:61389005 Keywords : graphen * graphit oxide * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.394, year: 2014

  12. Partial dynamic structure factors in Ni62Nb38 metallic glass

    International Nuclear Information System (INIS)

    Syrykh, G.F.; Khlopkin, M.N.; Zemlyanov, M.G.; Ivanov, A.S.; Schober, H.

    2002-01-01

    The total dynamic structure factors S(Q,E) in three Ni 62 Nb 38 samples with different isotope content were investigated by inelastic neutron scattering, over a range of momentum and energy transfer: Q=0.5-5 A -1 and E=1-40 meV at the IN6 spectrometer (ILL, Grenoble, France). According to the Ashcroft-Langreth formalism, the partial dynamic structure factors S NiNi (Q,E), S NbNb (Q,E) and S NiNb (Q,E) were reconstructed. It is the first experimental observation showing the existence of collective vibrational excitations in the Ni 62 Nb 38 metallic glass system at a partial dynamic structure factor level. (orig.)

  13. The factor structure of six salutogenic constructs

    Directory of Open Access Journals (Sweden)

    Marita Breed

    2006-10-01

    Full Text Available The aim of this research was to investigate the factor structure of six salutogenic constructs, namely sense of coherence, hardiness, learned resourcefulness, potency, internal locus of control and self-efficacy. Measurement with a sample of 935 part-time students did not fit the conceptualisation of salutogenesis. A different factor structure for Whites versus Others occurred. For Whites, all six constructs more or less contributed towards the general salutogenic factor and for Others all but learned resourcefulness contributed. For Whites, salutogenesis consisted of two clear dimensions (a global positive orientation; specific behavioural skills and for Others one dimension (an optimistic life view. Confirmatory factor analysis performed on the data for both groups, indicated a weak fit. It was recommended that salutogenesis be further explored within an overall personality theory. Opsomming Die doel van hierdie navorsing was om die faktorstruktuur van ses salutogeniese konstrukte te ondersoek, naamlik sin vir koherensie, gehardheid, aangeleerde vindingrykheid, potensie, interne lokus van beheer en selfgenoegsaamheid. Meting met ‘n steekproef van 935 deeltydse studente het nie ‘n passing getoon met die konseptualisering van salutogenese nie. ‘n Eiesoortige faktorstruktuur vir Wit studente versus Ander studente het voorgekom. Vir Wittes, het al ses die konstrukte meer of minder bygedra tot die algemene salutugeniese faktor en vir Andere het almal behalwe aangeleerde vindingrykheid bygedra. Vir Wittes bestaan salutogenese uit twee duidelike dimensies (‘n globale positiewe lewensorientasie; spesifieke gedrags vaardighede en vir Andere uit een dimensie (‘n optimistiese lewensbeskouing. Bevestigende faktor ontleding uitgevoer op die data van beide groepe, het ‘n swak passing getoon. Daar is aanbeveel dat salutogenese verder ondersoek word binne ‘n oorkoepelende persoonlikheidsteorie.

  14. Application of Nonnegative Tensor Factorization for neutron-gamma discrimination of Monte Carlo simulated fission chamber’s output signals

    Directory of Open Access Journals (Sweden)

    Mounia Laassiri

    Full Text Available For efficient exploitation of research reactors, it is important to discern neutron flux distribution inside the reactor with the best possible precision. For this reason, fission and ionization chambers are used to measure the neutron field. In these arrays, the sequences of the neutron interaction points in the fission chamber can correctly be identified in order to obtain true neutron energies emitted by nuclei of interest. However, together with the neutrons, gamma-rays are also emitted from nuclei and thereby affect neutron spectra. The originality of this study consists in the application of tensor based blind source separation methods to extract independent components from signals recorded at the fission chamber preamplifier’s output. The objective is to achieve software neutron-gamma discrimination using Nonnegative Tensor Factorization tools. For reasons of nuclear safety, we first simulate the neutron flux inside the TRIGA Mark II Reactor using Monte Carlo methods under Geant4 platform linked to Garfield++. Geant4 simulations allow the fission chamber construction whereas linking the model to Garfield++ permits to simulate drift parameters from the ionization of the filling gas, which is not possible otherwise. Keywords: Fission chamber (FC, Geant4, Garfield++, Neutron-gamma discrimination, Nonnegative Tensor Factorization (NTF

  15. Narrow structure in the excitation function of η photoproduction off the neutron.

    Science.gov (United States)

    Werthmüller, D; Witthauer, L; Keshelashvili, I; Aguar-Bartolomé, P; Ahrens, J; Annand, J R M; Arends, H J; Bantawa, K; Beck, R; Bekrenev, V; Braghieri, A; Branford, D; Briscoe, W J; Brudvik, J; Cherepnya, S; Demissie, B; Dieterle, M; Downie, E J; Drexler, P; Fil'kov, L V; Fix, A; Glazier, D I; Hamilton, D; Heid, E; Hornidge, D; Howdle, D; Huber, G M; Jaegle, I; Jahn, O; Jude, T C; Käser, A; Kashevarov, V L; Kondratiev, R; Korolija, M; Kruglov, S P; Krusche, B; Kulbardis, A; Lisin, V; Livingston, K; MacGregor, I J D; Maghrbi, Y; Mancell, J; Manley, D M; Marinides, Z; Martinez, M; McGeorge, J C; McNicoll, E F; Metag, V; Middleton, D G; Mushkarenkov, A; Nefkens, B M K; Nikolaev, A; Novotny, R; Oberle, M; Ostrick, M; Oussena, B; Pedroni, P; Pheron, F; Polonski, A; Prakhov, S N; Robinson, J; Rosner, G; Rostomyan, T; Schumann, S; Sikora, M H; Sober, D; Starostin, A; Supek, I; Thiel, M; Thomas, A; Unverzagt, M; Watts, D P

    2013-12-06

    The photoproduction of η mesons off nucleons bound in 2H and 3He has been measured in coincidence with recoil protons and recoil neutrons for incident photon energies from threshold up to 1.4 GeV. The experiments were performed at the Mainz MAMI accelerator, using the Glasgow tagged photon facility. Decay photons from the η→2γ and η→3π0 decays and the recoil nucleons were detected with an almost 4π electromagnetic calorimeter combining the Crystal Ball and TAPS detectors. The data from both targets are of excellent statistical quality and show a narrow structure in the excitation function of γn→nη. The results from the two measurements are consistent, taking into account the expected effects from nuclear Fermi motion. The best estimates for position and intrinsic width of the structure are W=(1670±5)  MeV and Γ=(30±15)  MeV. For the first time precise results for the angular dependence of this structure have been extracted.

  16. Scattering studies of large scale structures at the ultra small angle neutron scattering instrument S18

    Science.gov (United States)

    Hainbuchner, M.; Baron, M.; Lo Celso, F.; Triolo, A.; Triolo, R.; Rauch, H.

    2002-02-01

    In recent years ultra small angle neutron scattering (USANS) has developed into a powerful standard method for large scale structure investigations. The upgraded instrument S18 at the ILL's 58 MW high flux reactor is operated routinely with increasing beam time demand. The performance of the instrument and its abilities will be discussed in this paper. A peak to background ratio better than 10 5 is reached using Agamalian's tail reduction method. A q-range from 2.10 -5 up to 5.10 -2 Å-1 can be covered. This allows a clear overlap with standard pinhole SANS instruments. The new way collecting scattering data logarithmically equidistant in q-space saves measuring time. This allows measuring times of about 1.5 h for strong scattering specimens with reasonable statistics. We will present an overview of recent experiments which have been performed in co-operation with different groups from the international user community. This work comprises of structure investigations of petroliferous sedimentary rocks showing fractal scattering behaviour and time resolved USANS studies of the dynamics of hydration of cement paste. Concerning soft matter structures, Pirelli rubber nanocomposites have been investigated. In addition, time resolved measurement on a D 2O solution of a PPO-PEO-PPO block copolymer (Reverse Pluronic 25R5) and the dynamics of phase separation of methyl-hydroxy-propyl cellulose (MHPC) have been studied using a sample temperature control system.

  17. Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering.

    Science.gov (United States)

    Cabry, Christopher P; D'Andrea, Lucía; Shimizu, Karina; Grillo, Isabelle; Li, Peixun; Rogers, Sarah; Bruce, Duncan W; Canongia Lopes, José N; Slattery, John M

    2018-01-01

    Small-angle neutron scattering experiments, supported by molecular dynamics simulations, have been performed on a range of compositions of the [C 2 mim] 1-x [C 12 mim] x [Tf 2 N] ionic liquid mixture system. Isotopic contrast variation, through selective deuteration of both cations, has been used to assist in fitting the data to different scattering models. These data, and subsequent fitting, show that the structure of the ionic liquid mixtures changes substantially as a function of composition. Mixtures where x 0.32 can be described as bicontinuous, containing networks of both polar and non-polar domains, where the C12 chains of the [C 12 mim] + ions percolate through the system to form a continuous non-polar sub-phase. Temperature-dependent scattering experiments suggest that there is relatively little change in bulk structure in these liquids between 20 and 60 °C. The presence of water, however, does influence some aspects of the liquid structure in a composition that is rich in [C 2 mim][Tf 2 N] (where x = 0.24).

  18. Small-angle neutron scattering study of structure and interaction of nanoparticle, protein, and surfactant complexes.

    Science.gov (United States)

    Mehan, Sumit; Chinchalikar, Akshay J; Kumar, Sugam; Aswal, Vinod K; Schweins, Ralf

    2013-09-10

    Small-angle neutron scattering (SANS) measurements have been carried out from the multicomponent system composed of Ludox HS40 silica nanoparticle, bovine serum albumin (BSA) protein, and sodium dodecyl sulfate (SDS) surfactant in an aqueous system under the solution condition that all the components are negatively charged. Although the components are similarly charged, strong structural evolutions among them have been observed. The complexes of different components in pairs (nanoparticle-protein, nanoparticle-surfactant, and protein-surfactant) have been examined to correlate the role of each component in the three-component nanoparticle-protein-surfactant system. The nanoparticle-protein system shows depletion interaction induced aggregation of nanoparticles in the presence of protein. Both nanoparticle and surfactant coexist individually in a nanoparticle-surfactant system. In the case of a protein-surfactant system, the cooperative binding of surfactant with protein leads to micelle-like clusters of surfactant formed along the unfolded protein chain. The structure of the three-component (nanoparticle-protein-surfactant) system is found to be governed by the synergetic effect of nanoparticle-protein and protein-surfactant interactions. The nanoparticle aggregates coexist with the structures of protein-surfactant complex in the three-component system. The nanoparticle aggregation as well as unfolding of protein is enhanced in this system as compared to the corresponding two-component systems.

  19. Correlating cycling history with structural evolution in commercial 26650 batteries using in operando neutron powder diffraction

    Science.gov (United States)

    Goonetilleke, Damian; Pramudita, James C.; Hagan, Mackenzie; Al Bahri, Othman K.; Pang, Wei Kong; Peterson, Vanessa K.; Groot, Jens; Berg, Helena; Sharma, Neeraj

    2017-03-01

    Ex situ and time-resolved in operando neutron powder diffraction (NPD) has been used to study the structural evolution of the graphite negative electrode and LiFePO4 positive electrode within ANR26650M1A commercial batteries from A123 Systems, in what to our knowledge is the first reported NPD study investigating a 26650-type battery. Batteries with different and accurately-known electrochemical and storage histories were studied, enabling the tell-tale signs of battery degradation to be elucidated using NPD. The ex-situ NPD data revealed that the intensity of the graphite/lithiated graphite (LixC6 or LiyC) reflections was affected by battery history, with lower lithiated graphite (LiC12) reflection intensities typically corresponding to more abused batteries. This indicates that the lithiation of graphite is less progressed in more abused batteries, and hence these batteries have lower capacities. In operando NPD allows the rate of structural evolution in the battery electrode materials to be correlated to the applied current. Interestingly, the electrodes exhibit different responses to the applied current that depend on the battery cycling history, with this particularly evident for the negative electrode. Therefore, this work illustrates how NPD can be used to correlate a battery history with electrode structure.

  20. Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant.

    Science.gov (United States)

    Munshi, Parthapratim; Snell, Edward H; van der Woerd, Mark J; Judge, Russell A; Myles, Dean A A; Ren, Zhong; Meilleur, Flora

    2014-02-01

    Ketol-isomerases catalyze the reversible isomerization between aldoses and ketoses. D-Xylose isomerase carries out the first reaction in the catabolism of D-xylose, but is also able to convert D-glucose to D-fructose. The first step of the reaction is an enzyme-catalyzed ring opening of the cyclic substrate. The active-site amino-acid acid/base pair involved in ring opening has long been investigated and several models have been proposed. Here, the structure of the xylose isomerase E186Q mutant with cyclic glucose bound at the active site, refined against joint X-ray and neutron diffraction data, is reported. Detailed analysis of the hydrogen-bond networks at the active site of the enzyme suggests that His54, which is doubly protonated, is poised to protonate the glucose O5 position, while Lys289, which is neutral, promotes deprotonation of the glucose O1H hydroxyl group via an activated water molecule. The structure also reveals an extended hydrogen-bonding network that connects the conserved residues Lys289 and Lys183 through three structurally conserved water molecules and residue 186, which is a glutamic acid to glutamine mutation.

  1. Study of α-crystallin structure by small-angle neutron scattering with contrast variation

    International Nuclear Information System (INIS)

    Krivandin, A.V.; Muranov, K.O.; Polyanskij, N.B.; Ostrovskij, M.A.; Murugova, T.N.; Kuklin, A.I.; Aksenov, V.L.

    2010-01-01

    The structure of the oligomeric protein α-crystallin from the bovine eye lens has been investigated by small-angle neutron scattering (SANS) by the contrast variation method (volume fraction of D 2 O was 0, 23, 68 and 90%). Experiments were carried out on YuMO spectrometer (IBR-2 reactor, JINR). From the SANS curves the match point for α-crystallin (43% D 2 O) and its average scattering length density at this point (2.4·10 10 cm -2 ) have been obtained. The radius of gyration and distance distribution functions for α-crystallin have been calculated as well. On the basis of these calculations it was concluded that α-crystallin has a homogeneous distribution of the scattering density in domains inaccessible for water penetration and all parts of this protein undergo a uniform deuteration. The latter indicates that all α-crystallin subunits have an equal accessibility for water and presumably for some other low molecular weight substances. These conclusions on the α-crystallin structure (a homogeneous distribution of the scattering density and an equal accessibility of all subunits for low molecular weight substances) should be taken into account in the time of elaboration of α-crystallin quaternary structure models

  2. NANOSIZE STRUCTURE OF SELF-ASSEMBLY SODIUM DODECYL SULFATE: A STUDY BY SMALL ANGLE NEUTRON SCATTERING (SANS

    Directory of Open Access Journals (Sweden)

    Edy Giri Rachman Putra

    2010-06-01

    Full Text Available Small Angle Neutron Scattering (SANS investigation on the self-assembly sodium dodecyl sulfate (SDS molecules as a function of concentration and additives has been carried out. SANS spectrometer which has been completely installed at the neutron scattering laboratory (NSL BATAN in Serpong, Indonesia has played most important role to determine the growth (size and also the shapes of a micelle structure. In this works we report that spherical micelle structure with a radius of 16.7 Å will transform to ellipsoidal or rod-like micelle structure with the long axis extends up to 50 Å by increasing the concentration of SDS. Similar to that the micelle structures change by addition of salt in SDS micellar solutions.   Keywords: nanostructure, micelle, self-assembly

  3. Miscellaneous neutron techniques

    International Nuclear Information System (INIS)

    Iddings, F.A.

    1976-01-01

    Attention is brought to the less often uses of neutrons in the areas of neutron radiography, well logging, and neutron gaging. Emphasis on neutron radiography points toward the isotopic sensitivity of the method versus the classical bulk applications. Also recognized is the ability of neutron radiography to produce image changes that correspond to thickness and density changes obtained in photon radiography. Similarly, neutron gaging applications center on the measurement of radiography. Similarly, neutron gaging applications center on the measurement of water, oil, or plastics in industrial samples. Well logging extends the neutron gaging to encompass many neutron properties and reactions besides thermalization and capture. Neutron gaging also gives information on organic structure and concentrations of a variety of elements or specific compounds in selected matrices

  4. Structures of the fractional spaces generated by the difference neutron transport operator

    Energy Technology Data Exchange (ETDEWEB)

    Ashyralyev, Allaberen [Department of Elementary Mathematics Education, Fatih University, 34500, Istanbul (Turkey); Department of Mathematics, ITTU, Ashgabat (Turkmenistan); Taskin, Abdulgafur [Department of Mathematics, Fatih University, 34500, Istanbul (Turkey)

    2015-09-18

    The initial boundary value problem for the neutron transport equation is considered. The first, second and third order of accuracy difference schemes for the approximate solution of this problem are presented. Highly accurate difference schemes for neutron transport equation based on Padé approximation are constructed. In applications, stability estimates for solutions of difference schemes for the approximate solution of the neutron transport equation are obtained.The positivity of the neutron transport operator in Slobodeckij spaces is proved. Numerical techniques are developed and algorithms are tested on an example in MATLAB.

  5. Neutron beam applications - Development of operational techniques for neutron four-circle diffractometer and structure determination of C{sub 16}H{sub 15}NO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Moon Jib [Soonchunhyang University, Asan (Korea); Suh, Il Hwan [Chungnam National University, Taejon (Korea)

    1999-06-01

    We have been studied to find out the experimental methods and procedures for neutron diffraction method for neutron diffractometer in HANARO -the atomic research reactor in KAERI. We have studied experimental process for the neutron diffraction data analysis, using computer soft-wares such as SHELXS for the calculation the initial phase of crystal structure, SHELXL for refinement of atomic coordinate using least-squares method, ORTEP for the display of the calculated positions of molecule, and PATSEE for the calculation of the phase from the expected structure. In these studies, we analyzed the structure of test sample using these programs, and prepare the user's manual for these soft-wares. We have also studied on bending effect of monochromator in order to increase the intensity of neutron beam, and designed HRPD - High Resolution Powder Diffractometers. 7 refs., 6 figs. (Author)

  6. High-temperature structural phase transitions in neighborite: a high-resolution neutron powder diffraction investigation

    Science.gov (United States)

    Knight, Kevin S.; Price, G. David; Stuart, John A.; Wood, Ian G.

    2015-01-01

    The nature of the apparently continuous structural phase transition at 1,049 K in the perovskite-structured, MgSiO3 isomorph, neighborite (NaMgF3), from the orthorhombic ( Pbnm) hettotype phase to the cubic () aristotype structure, has been re-investigated using high-resolution, time-of-flight neutron powder diffraction. Using data collected at 1 K intervals close to the nominal phase transition temperature, the temperature dependence of the intensities of superlattice reflections at the M point and the R point of the pseudocubic Brillouin zone indicate the existence of a new intermediate tetragonal phase in space group P4/ mbm, with a narrow phase field extending from ~1,046.5 to ~1,048.5 K, at ambient pressure. Group theoretical analysis shows that the structural transitions identified in this study, Pbnm- P4/ mbm, and P4/ mbm-, are permitted to be second order. The observation of the tetragonal phase resolves the longstanding issue of why the high-temperature phase transition, previously identified as Pbnm-, and which would be expected to be first order under Landau theory, is in fact found to be continuous. Analysis of the pseudocubic shear strain shows it to vary with a critical exponent of 0.5 implying that the phase transition from Pbnm to P4/ mbm is tricritical in character. The large librational modes that exist in the MgF6 octahedron at high temperature, and the use of Gaussian probability density functions to describe atomic displacements, result in apparent bond shortening in the Mg-F distances, making mode amplitude determination an unreliable method for determination of the critical exponent from internal coordinates. Crystal structures are reported for the three phases of NaMgF3 at 1,033 K ( Pbnm), 1,047 K ( P4/ mbm) and 1,049 K ().

  7. Structural Change of Carbon Anode in a Lithium-ion Battery Product Associated with Charging Process Observed by Neutron Transmission Bragg-edge Imaging

    Science.gov (United States)

    Kamiyama, Takashi; Narita, Yuki; Sato, Hirotaka; Ohnuma, Masato; Kiyanagi, Yoshiaki

    Spectroscopic neutron Bragg-edge imaging was performed to study a lithium-ion battery (LIB) product. This non-destructive neutron imaging method is suitable for the evaluation of industrial products, but presents some difficulties for application to multicomponent products. The LIB includes a strong neutron scatterer and an absorber, and is thus a suitable test case for the use of neutron imaging in actual product measurement. In this study, we analyzed the variation of the graphite anode structure with changes in the battery charge level. The experiments were carried out using the compact neutron source at the Hokkaido University neutron source facility (HUNS). To eliminate the effect of scattered neutron contamination, we first determined the distance between the sample and detector required to reduce this effect to under 1%. Using this separation, the charge level dependence of the anode structure was measured. The graphite {002} Bragg-edge could be recognized on the neutron transmission spectra. The Bragg-edge was shifted and broadened with increasing battery charge. The edge was consistent with the existence of multiple graphite structural stages. The layer spacing distribution images for different charge levels showed the inhomogeneous fluctuation on the LIB lattice plane. Based on the images the fraction of the graphite structural stages were analyzed. The ratio of each stage varied with the charge level, and the ideal intercalation structure, in which the graphite layers are stuffed with Li-ions, was found to be minor in the final charging state.

  8. Factors affecting neutron measurements and calculations. Part F. Water content in granite

    International Nuclear Information System (INIS)

    Iwatani, Kazuo; Hasai, Hiromi; Shizuma, Kiyoshi; Hoshi, Masaharu; Endo, Satoru; Oka, Takamitsu; Imanaka, Tetsuji

    2005-01-01

    As part of the DS02 studies to reevaluate neutrons from the atomic bomb, we cored rock samples from a pillar of Motoyasu Bridge, located at a distance of 128 m from the hypocenter in Hiroshima, and measured the depth profile of induced 152 Eu radioactivity in the rock (Hasai et al. 1987). By use of the MCNP neutron transport calculation code, the depth profile of 152 Eu in the rock was calculated, assuming a neutron distribution at the given location around the pillar based on the DS86 calculations. The depth profile was then compared with the distribution of measurements (Endo et al. 1999). For the calculation, it is necessary to know the major components of the rock. It is also necessary to estimate the water content correctly, since the cross section of hydrogen-neutron reactions is large, and neutron moderation effects of hydrogen are significant. For this purpose, the basic characteristics of water content in rock were studied, based on a few characteristic experiments to estimate the water content, which was then used in neutron transport calculations. The following describes our concepts and methods. (author)

  9. Neutron diffraction

    International Nuclear Information System (INIS)

    Heger, G.

    1996-01-01

    X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (author) 15 figs., 1 tab., 10 refs

  10. Neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Heger, G. [Rheinisch-Westfaelische Technische Hochschule Aachen, Inst. fuer Kristallographie, Aachen (Germany)

    1996-12-31

    X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (author) 15 figs., 1 tab., 10 refs.

  11. Static structure factor of polymerlike micelles: Overall dimension, flexibility, and local properties of lecithin reverse micelles in deuterated isooctane

    DEFF Research Database (Denmark)

    Jerke, G.; Pedersen, J.S.; Egelhaaf, S.U.

    1997-01-01

    We report a systematic investigation of the static structure factor S(q,c) of polymerlike reverse micelles formed by soybean lecithin and trace amounts of water in deuterated isooctane using small-angle neutron scattering and static light scattering. The experimental data for different concentrat......We report a systematic investigation of the static structure factor S(q,c) of polymerlike reverse micelles formed by soybean lecithin and trace amounts of water in deuterated isooctane using small-angle neutron scattering and static light scattering. The experimental data for different...... transformation and square-root deconvolution techniques. We demonstrate that we can determine structural properties such as the micellar cross-section profile and flexibility as well as quantitatively incorporate the influence of micellar growth and excluded-volume effects on S(q,c)....

  12. Neutron reflectrometry reveals the internal structure of natural organic matter deposited onto an aluminum oxide

    Energy Technology Data Exchange (ETDEWEB)

    Mayes, Melanie [ORNL; Jagadamma, Sindhu [ORNL; Ambaye, Haile Arena [ORNL; Petridis, Loukas [ORNL; Lauter, Valeria [ORNL

    2013-01-01

    Organic carbon (OC) stabilization in soils plays a significant role in the global C cycle, therefore understanding the structure and function of the OC soil mineral interface is of high importance. To study the interface, films of simple OC compounds and natural organic matter (NOM) were deposited onto a soil mineral analogue (Al2O3) using spin coating and were exposed to humidity. The thickness, density and structure of the films were studied using a depth-sensitive, nano-scale technique of neutron reflectometry. A single homogenous layer was observed when NOM and glucose (GL) were adsorbed onto Al2O3. However, when stearic acid (SA) was added to either NOM or GL, separate layers attributed to SA and either NOM or GL were detected. The formation of distinct, immiscible layers is due to insolubility of SA with NOM and GL. In contrast, GL and NOM are both water-soluble, and therefore soluble with each other, forming a homogenous layer on the mineral surface. Our results suggest that the extent of complex layering formed on the OC mineral interface may depend on the relative solubility of the compounds.

  13. The Spin Structure of the Neutron Determined Using a Polarized He-3 Target

    Energy Technology Data Exchange (ETDEWEB)

    Middleton, H

    2004-01-06

    Described is a study of the internal spin structure of the neutron performed by measuring the asymmetry in spin-dependent deep inelastic scattering of polarized electrons from nuclear polarized {sup 3}He. Stanford Linear Accelerator experiment E142's sample of 400 million scattering events collected at beam energies between 19 and 26 GeV led to the most precise measurement of a nucleon spin structure function to date. The {sup 3}He target represents a major advance in polarized target technology, using the technique of spin exchange with optically pumped rubidium vapor to produce a typical {sup 3}He nuclear polarization of 34% in a 30cm long target cell with a gas density of 2.3 x 10{sup 20} cm{sup -3}. The target polarization was measured to {+-}7% using an Adiabatic Fast Passage NMR system calibrated with the thermal equilibrium polarization of the protons in a sample of water. The relatively high polarization and target thickness were the result of the development of large volume glass target cells which had inherent nuclear spin relaxation times for the {sup 3}He gas of as long as 70 hours. A target cell production procedure is presented which focuses on special glass blowing techniques to minimize surface interactions with the {sup 3}He nuclei and careful gas purification and vacuum system procedures to reduce relaxation inducing impurities.

  14. Structural analysis of inorganic semiconducting nanosheet colloids with small-angle neutron scattering and photofunctions

    International Nuclear Information System (INIS)

    Miyamoto, Nobuyoshi

    2009-01-01

    I built up an apparatus for in-situ measurements of small-angle neutron scattering (SANS) concurrently with UV-visible spectroscopy under UV-irradiation; by using this apparatus, I investigated the structural change during photoinduced electron transfer reactions in aqueous colloidal systems composed of semiconductor liquid crystalline nanosheets, clay mineral nanosheets, and an electron acceptor methylviologen. In the visible spectrum after UV-irradiation, broad band (600 - 800 nm) due to excited electrons in the niobate nanosheets and a peak (600 nm) due to methylviologen radical cations were observed, accompanied by a SANS signal (a peak at q = 0.095 nm -1 ). The aborbance and SANS intensity varied with irradiation time and intensity of UV-light. I suppose that the structure of the colloid was modified due to the change in nanosheet charges upon photo-induced electron transfer reaction. Similar photochemical reactions were also observed for the colloidal systems containing newly found liquid crystalline clay mineral nanosheets (fluorohectorite and fluortetrasilisic mica) in stead of hectorite. (author)

  15. Residual stress measurements in thick structural weldments by means of neutron diffraction

    International Nuclear Information System (INIS)

    Ohms, C.; Youtsos, A.G.; Idsert, P. v.d.; Timke, T.

    2000-01-01

    Welding residual stresses in large structural components are a major concern with respect to their performance and lifetime. In large structures reasonable thermal stress relief treatment is usually impossible due to the component size. On the other hand, prediction of welding stresses by numerical modelling has not yet proven to be generally reliable, while the experimental determination of such stresses remains a demanding task. At the high flux reactor (HFR), Petten, a new residual stress diffractometer has been installed recently capable of handling of components up to 1000 kg - the large component neutron diffraction facility (LCNDF). It has facilitated residual stress measurements in two large welded components, of which results are presented here. The first component represents a bi-metallic weld in form of a pipe of 25 mm wall thickness. Three dimensional measurements of residual stress are discussed in detail. The second specimen is a 66 mm wall thickness austenitic steel nuclear piping weld. Results on relief of strain within the weld through post weld heat treatment (PWHT) are presented. Additionally results obtained earlier at former CRNL (CAN) on a section of a thick nuclear piping weld are presented in order to illustrate the variation in the reference lattice parameter trough the weld and the heat affected zone (HAZ). These results clearly show the necessity to determine the reference parameters for each location in all measurement directions by means of measurements in small coupons free of macro-stresses. (orig.)

  16. Understanding structural changes in NMC Li-ion cells by in situ neutron diffraction

    Science.gov (United States)

    Dolotko, O.; Senyshyn, A.; Mühlbauer, M. J.; Nikolowski, K.; Ehrenberg, H.

    2014-06-01

    Commercial NMC cells of 18650-type based on a Lix(Ni0.5Mn0.3Co0.2)O2 cathode and a graphitic anode were studied in situ using a combination of high-resolution monochromatic neutron powder diffraction and electrochemical analysis. The structural changes of the electrode materials during cell charge/discharge have been determined using Rietveld refinement and single profile decomposition techniques. A transformation of the graphitic anode to LiC12 and LiC6 through the formation of higher ordered lithium intercalated carbons was observed. A different behavior of electrochemically-driven lattice distortion was observed for NMC material in comparison to LixCoO2 and its influence on the overall cell performance has been discussed in brief. Detailed analysis of the structural changes in the Lix(Ni0.5Mn0.3Co0.2)O2 cathode material revealed reversible Li/Ni cation mixing (5.6(8)%), which is state-of-charge independent below 1600 mAh and vanishing above 1800 mAh (∼0.8Qmax).

  17. Structure and interaction in protein solutions as studied by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Chodankar, S.; Aswal, V.K.

    2005-01-01

    Small-angle neutron scattering (SANS) measurements have been performed to compare the effect of the salts KF, KCl, and KBr on crystallization in aqueous solution of lysozyme protein. It is found that the propensity of the salt to crystallize protein follows the Hoffmeister series (KF< KCl< KBr) with marked differences in the effect of these salts. In pure protein solution, lysozyme macromolecules are prolate ellipsoidal with semimajor and semiminor axes as 22 and 13.5 A, respectively. SANS also gives that the effective (structural+counterion) charge (Z) on the protein as obtained by taking into account screened Coulomb interaction between the protein macromolecules is found to be much smaller than the structural charge. There is decrease in Z suggesting the higher counterion condensation on protein with the increase in the concentration. The counterion condensation seems to be responsible for the differences in the effect of different salts. It is also found that with the addition of salts, lysozyme macromolecules convert to dimers, and for the same salt concentration the comparative effect of different salts follows the Hoffmeister series. Time evolved measurements prior to and after the crystallization show that the protein solution mostly consists of monomers and dimers. Interestingly, higher-mers are not observed in these measurements as perhaps they are formed in very small numbers towards the process that leads to the crystallization. The time dependent data have been used to obtain the fraction of crystallization as a function of time

  18. Studies on microphase-separated structures of block copolymers by neutron reflectivity measurement

    International Nuclear Information System (INIS)

    Torikai, Naoya; Noda, Ichiro; Matsushita, Yushu; Karim, A.; Satija, S.K.; Han, C.C.; Ebisawa, Toru.

    1996-01-01

    Segmental distributions of block copolymer chains in lamellar microphase-separated structure and those of homopolymers in block copolymer/homopolymer blends also with lamellar structures were studied by neutron reflectivity measurements. It was revealed that polystyrene and poly(2-vinylpyridine) lamellae were alternately stacked within the thin films of pure block copolymers spin-coated on silicon wafers, and they were preferentially oriented along the direction parallel to film surface. Polystyrene lamella appeared at air surfaces of the films, while poly(2-vinylpyridine) lamella did on silicon surfaces. Segment distribution at lamellar interface was well described by an error function, and the width of the lamellar interface, defined by a full-width half-maximum value of interfacial profile, was estimated to be about 4.5 nm. Segments of block chains adjacent to the chemical junction points connecting different block chains were strongly localized near the lamellar interfaces, while those on the free ends of block chains were distributed all over the lamellar microdomains with their distribution maxima at the centers of lamellae. On the other hand, it was clarified that homopolymers dissolved in the corresponding lamellar microdomains of block copolymers were also distributed throughout the microdomains with their concentration maxima at the centers of the lamellae. (author)

  19. Structure and Reactions of 11Be: Many-Body Basis for Single-Neutron Halo

    Science.gov (United States)

    Barranco, F.; Potel, G.; Broglia, R. A.; Vigezzi, E.

    2017-08-01

    The exotic nucleus 11Be has been extensively studied and much experimental information is available on the structure of this system. We treat, within the framework of renormalized nuclear field theory in both configuration and 3D space, the mixing of bound and continuum single-particle states through the coupling to collective vibrations of the 10Be core. We also take care of the Pauli principle acting not only between the single valence particle explicitly considered and those participating in the collective states, but also between fermions involved in two-phonon virtual states dressing the single-particle motion. In this way, it is possible to simultaneously and quantitatively account for the energies of the 1 /2+ , 1 /2- low-lying states, the centroid and line shape of the 5 /2+ resonance and the one-nucleon stripping and pickup absolute differential cross sections involving 11Be as either target or residual nucleus. Also for the dipole transition connecting the 1 /2+ and 1 /2- parity inverted levels as well as the isotopic shift of the charge radius. Theory provides a unified and exhaustive nuclear structure and reaction characterization of the many-body effects which are at the basis of this paradigmatic one-neutron halo system.

  20. Accelerating Nanoscale Research with Neutron Total Scattering: Linking Structure and Function in Finite Materials

    Science.gov (United States)

    Page, Katharine

    2012-10-01

    h -abstract-pard In contrast to bulk materials, nanomaterials and nanoparticles, comprised of a few hundred to tens of thousands of atoms, require every atom's position to be located in order to understand their structure-property relationships. New behavior can arise with a constricted, expanded, or distorted lattice, variation in surface termination structure, ligand capping or stabilization, or with the increasingly diverse set of shapes and architectures appearing in nanoscience literature today: tubes, pyramids, stars, core-shell and matrix-confined particles, multilayer films, etc. Pair distribution function (PDF) analysis, based on spallation neutron or synchrotron x-ray total scattering data, has emerged as a very promising characterization method for nanomaterials in recent years. Total scattering methods provide information about every pair of atoms probed in a diffraction experiment and thus contain an unexploited wealth of information for finite systems. In this contribution we will present our work establishing the influence of particle size and shape on the nature and correlation of local atomic dipoles in finite ferroelectric systems. We also review current data-driven modeling capabilities and outline the need for evolution of robust computational tools to follow other complex nanoscale phenomena with scattering data. pard-/abstract-

  1. Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

    Science.gov (United States)

    Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

    2017-08-01

    Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.

  2. Structure of the protein which gives the mitochondrial ATPase its sensitivity to oligomycin (OSCP). Approach of OSCP structural parameters by neutron scattering and spectroscopic techniques

    International Nuclear Information System (INIS)

    Dupuis, Alain

    1983-01-01

    This research thesis reports the study of OSCP structure of beef heart mitochondria. The OSCP is a lysine-rich protein which contains five tyrosine residues exposed to a solvent and no tryptophan residue. The molecular mass is determined by gel electrophoresis. Small angle neutron scattering is used to show that OSCP is an elongated protein. The distribution of residues of amino acids in the protein, and the preferential localisation of lysine residues in equatorial regions of the molecules are noticed by using neutron scattering by OSCP in solution in D 2 O. A preliminary functional study determined the stoichiometry and the dissociation constants with which OSCP interacts with mitochondrial ATPase [fr

  3. In situ Electrochemical Small-Angle Neutron Scattering (eSANS) for Quantitative Structure and Redox Properties of Nanoparticles.

    Science.gov (United States)

    Prabhu, Vivek M; Reipa, Vytas

    2012-03-01

    The rapid growth in nanomaterial applications have revealed limitations in available physicochemical characterization methods. An in situ electrochemical small-angle neutron scattering (eSANS) methodology was devised that enables direct measurements of nanomaterial dispersion structure while undergoing reduction-oxidation (redox) reactions at the vitreous carbon electrode. Furthermore, these porous electrodes are amenable to contrast-variant neutron scattering strategies to measure nanoparticle structure and polymer conformation in multicomponent systems. The eSANS method was tested for feasibility by characterizing ZnO nanoparticles in 50 mmol/L NaCl deuterium oxide solution undergoing bulk electrolysis at negative potentials. Irreversible nanoparticle structural changes are observed during the potential cycle. The complete reduction of Zn(2+) to Zn(0) nanoparticles is unlikely, but a peak in the characteristic correlation length occurs during the redox bias with reduced average characteristic size.

  4. Dynamic structure factor of vibrating fractals.

    Science.gov (United States)

    Reuveni, Shlomi; Klafter, Joseph; Granek, Rony

    2012-02-10

    Motivated by novel experimental work and the lack of an adequate theory, we study the dynamic structure factor S(k,t) of large vibrating fractal networks at large wave numbers k. We show that the decay of S(k,t) is dominated by the spatially averaged mean square displacement of a network node, which evolves subdiffusively in time, ((u[over →](i)(t)-u[over →](i)(0))(2))∼t(ν), where ν depends on the spectral dimension d(s) and fractal dimension d(f). As a result, S(k,t) decays as a stretched exponential S(k,t)≈S(k)e(-(Γ(k)t)(ν)) with Γ(k)∼k(2/ν). Applications to a variety of fractal-like systems are elucidated.

  5. Neutron physics

    International Nuclear Information System (INIS)

    Beckurts, K.H.; Wirtz, K.

    1974-01-01

    This textbook consists of four sections which deal with the following subjects: 1. Production of neutrons and their interactions with the nuclei; neutron sources; neutron detectors; cross-section measurements. 2. Theory of neutron interactions with macroscopic media; neutron slowing down; space distribution of moderated neutrons; neutron thermalization; neutron scattering. 3. Radioactive probe measurements of thermal neutron fluxes; activation by means of epithermal neutrons; threshold detectors of fast neutrons; neutron calibration. 4. Neutron energy; slowing down kernels; neutron age; diffusion length and absorption of neutrons

  6. Neutron Diffraction Studies of the Modulated Magnetic Structures of CeSb and Nd Metal

    DEFF Research Database (Denmark)

    Lebech, Bente

    1981-01-01

    The magnetic phase diagram of CeSb, which has been determined by neutron diffraction and other experimental techniques, is briefly reviewed and related to some of the theoretical models that have been developed to account for it. The results of neutron diffraction studies of Nd metal are also...

  7. Accurate structure analyses of polymer crystals on the basis of wide-angle X-ray and neutron diffractions

    International Nuclear Information System (INIS)

    Tashiro, Kohji; Hanesaka, Makoto; Yamamoto, Hiroko; Wasanasuk, Kaewkan; Jayaratri, Paramita; Yoshizawa, Yoshinori; Tanaka, Ichiro; Niimura, Nobuo; Kusaka, Katsuhiro; Hosoya, Takaaki; Ohhara, Takashi; Kurihara, Kazuo; Kuroki, Ryota; Tamada, Taro; Fujiwara, Satoru; Katsube, Katsuyoshi; Morikawa, Keisuke; Komiya, Yukiatsu; Kitano, Toshiaki; Nishu, Takashi; Ozeki, Tomoji

    2014-01-01

    The crystal structure analysis of various polymer substances has been reviewed on the basis of wide-angle high-energy X-ray and neutron diffraction data. The progress in structural analytical techniques of polymer crystals have been reviewed at first. The structural models proposed so far were reinvestigated and new models have been proposed for various kinds of polymer crystals including polyethylene, poly(vinyl alcohol), poly(lactic acid) and its stereocomplex etc. The hydrogen atomic positions were also clarified by the quantitative analysis of wide-angle neutron diffraction data, from which the physical properties of polymer crystals have been evaluated theoretically. The bonded electron density distribution has been estimated for a polydiacetylene single crystal on the basis of the so-called X-N method or by the combination of structural information derived from X-ray and neutron diffraction data analysis. Some comments have been added about future developments in the field of structure-property relationship determination. (author)

  8. Structural characterization of cellulosic materials using x-ray and neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Penttila, P.

    2013-11-01

    Cellulosic biomass can be used as a feedstock for sustainable production of biofuels and various other products. A complete utilization of the raw material requires understanding on its structural aspects and their role in the various processes. In this thesis, x-ray and neutron scattering methods were applied to study the structure of various cellulosic materials and how they are affected in different processes. The obtained results were reviewed in the context of a model for the cellulose nanostructure. The dimensions of cellulose crystallites and the crystallinity were determined with wide-angle x-ray scattering (WAXS), whereas the nanoscale fibrillar structure of cellulose was characterized with small-angle x-ray and neutron scattering (SAXS and SANS). The properties determined with the small-angle scattering methods included specific surface areas and distances characteristic of the packing of cellulose microfibrils. Also other physical characterization methods, such as x-ray microtomography, infrared spectroscopy, and solid-state NMR were utilized in this work. In the analysis of the results, a comprehensive understanding of the structural changes throughout a range of length scales was aimed at. Pretreatment of birch sawdust by pressurized hot water extraction was observed to increase the crystal width of cellulose, as determined with WAXS, even though the cellulose crystallinity was slightly decreased. A denser packing of microfibrils caused by the removal of hemicelluloses and lignin in the extraction was evidenced by SAXS. This resulted in the opening of new pores between the microfibril bundles and an increase of the specific surface area. Enzymatic hydrolysis of microcrystalline cellulose (MCC) did not lead to differences in the average crystallinity or crystal size of the hydrolysis residues, which was explained to be caused by limitations due to the large size of the enzymes as compared to the pores inside the fibril aggregates. The SAXS intensities

  9. Core-shell structure of degradable, thermosensitive polymeric micelles studied by small-angle neutron scattering.

    Science.gov (United States)

    Ramzi, Aissa; Rijcken, Cristianne J F; Veldhuis, Theo F J; Schwahn, Dietmar; Hennink, Wim E; van Nostrum, Cornelus F

    2008-01-24

    The structure of assemblies of block copolymers composed of thermosensitive, biodegradable poly(N-(2-hydroxypropyl) methacrylamide-dilactate) and poly(ethylene glycol) (pHPMAmDL-b-PEG) has been studied by small-angle neutron scattering (SANS). Three amphiphilic copolymers with a fixed PEG of 5 kDa and a partially deuterated pHPMAmDL(d) block of 6700, 10400, or 21200 Da were used to form micelles in aqueous media by heating the polymeric solution from below to above the cloud point temperature (around 10 degrees C) of the thermosensitive block. Simultaneous and quantitative analysis of the scattering cross sections obtained at three different solvent contrasts is expedited using core-shell model, which assumed a homogeneous core of uniform scattering length density. The mean core radius increased from 13 to 18.5 nm with the molecular weight of the pHPMAmDL(d) block, while the thickness of the stabilizing PEG layer was around 8 nm for the three investigated assemblies. In addition, the volume fraction values of the stabilizing PEG chains in the shell are low and decreased from 31% to 14% with increasing the size of pHPMAmDL(d) block which shows that the shell layer of the assemblies is highly hydrated. The corresponding PEG chain grafting densities decreased from 0.22 to 0.11 nm-2 and the distance between PEG chains on the nanoparticles surface increased from 2.4 to 3.4 nm. The pHPMAmDL-b-PEG micelles showed a controlled instability due to hydrolysis of the lactic acid side groups in the thermosensitive block; that is, an increase of the degradation time leads to an increase of the size of the core which becomes less hydrophobic and consequently more hydrated. Neutron experiments supplied accurate information on how the size of the core and the micelle's aggregation number changed with the incubation time. This feature and the initially small size and dense structure in aqueous solution make the polymeric micelles suitable as carriers for hydrophobic drugs.

  10. Mass measurement and structure studies of neutron-rich isotopes of Zn, Ni, Fe

    International Nuclear Information System (INIS)

    Dessagne, P.

    1982-01-01

    With the Orsay MP Tandem, the reaction ( 14 C, 16 O) on 58 - 60 - 62 - 64 Ni, 64 - 66 - 68 - 70 Zn, 74 - 76 Ge and 82 Se targets, and the reaction ( 14 C, 15 O) on 60 - 62 - 64 Ni, 68 - 70 Zn, 76 Ge targets, have been investigated at 72 MeV bombarding energy. The mass excess of neutron rich nuclei: 63 Fe (-55.19+-.06MeV), 69 Ni(-60.14+-.06 MeV), 75 Zn(.62.7+-08 MeV) have been measured for the first time, and those of 62 Fe, 68 Ni, 74 Zn, 80 Ge have been remeasured. A new equipment has been designed in order to perform measurements at zero degree. From the angular distribution around 0 0 for the 70 Zn( 14 C, 16 O) reaction, the first state of 68 Ni observed for the first time (1.77 MeV +- .04 MeV) has been shown to be a 0 + . This result establishes a new case of 2 1+ - 0 2+ inversion. The systematics of the ( 14 C, 16 O) measurements on the even Ni and Zn isotopes have shown a different behaviour with two series. For the Ni → Fe (g.s.) transitions, the ratio σsub(exp)/σsub(DWBA) increases by a factor of four when the neutron number varies from 30 to 36. Whereas for the Zn → Ni (gs) transitions this ratio remains constant for the first three isotopes and decrease by a factor of two when N=40. For the Ni → Fe transitions, axial and spherical symmetries have been used. In agreement with the shell model no change are found with the spherical symmetry. For the axial symmetry a variation is observed but strongly dapendant of the sub-shell. Hence no clear conclusion can be deduced for the cross section estimate. For the Zn → Ni transitions, the spherical symmetry has been used. One configuration prevails, leading to a qualitative agreement with the experimental results [fr

  11. Validation of neutron flux redistribution factors in JSI TRIGA reactor due to control rod movements

    International Nuclear Information System (INIS)

    Kaiba, Tanja; Žerovnik, Gašper; Jazbec, Anže; Štancar, Žiga; Barbot, Loïc; Fourmentel, Damien; Snoj, Luka

    2015-01-01

    For efficient utilization of research reactors, such as TRIGA Mark II reactor in Ljubljana, it is important to know neutron flux distribution in the reactor as accurately as possible. The focus of this study is on the neutron flux redistributions due to control rod movements. For analyzing neutron flux redistributions, Monte Carlo calculations of fission rate distributions with the JSI TRIGA reactor model at different control rod configurations have been performed. Sensitivity of the detector response due to control rod movement have been studied. Optimal radial and axial positions of the detector have been determined. Measurements of the axial neutron flux distribution using the CEA manufactured fission chambers have been performed. The experiments at different control rod positions were conducted and compared with the MCNP calculations for a fixed detector axial position. In the future, simultaneous on-line measurements with multiple fission chambers will be performed inside the reactor core for a more accurate on-line power monitoring system. - Highlights: • Neutron flux redistribution due to control rod movement in JSI TRIGA has been studied. • Detector response sensitivity to the control rod position has been minimized. • Optimal radial and axial detector positions have been determined

  12. Neutron scattering equipments in JAERI. Current status

    International Nuclear Information System (INIS)

    Hamaguchi, Yoshikazu; Minakawa, Nobuaki

    2003-01-01

    24 neutron scattering instruments are installed in the JRR-3M research reactor. Among them JAERI has 12 neutron scattering instruments. Those instruments are HRPD for high-resolution structural analysis, TAS-1 and TAS-2 for elastic and inelastic scattering and for magnetic scattering measurements by the polarized neutron, LTAS for elastic and inelastic scattering measurement at a low energy region, and for neutron device development, PNO for topography and for very small angle scattering measurement in a small Q range, NRG for neutron radiography, RESA for internal strain measurements, SANS for the molecule and semi-macroscopic magnetic structural analysis, BIX-2 and BIX-3 for the biological structural analysis research, and PGA for the research of prompt gamma-ray analysis. The university groups have 12 neutron scattering instruments. Since those instruments were installed at the period when JRR-3M was completed, about 10 years have passed. In order to match the old control systems with the progress of recent computer technologies, and peripheral equipment, numbers of instruments are being renewed. In the neutron guide hall of JRR-3M, the Ni mirror guide tube was replaced by a super mirror guide tube to increase neutron flux. The intensity of 2A flux was increased by a factor of about two. (J.P.N.)

  13. Report from the neutron diffraction work group

    International Nuclear Information System (INIS)

    1978-08-01

    This progress report of the neutron diffraction group at the Hahn Meitner Institute in Berlin comprises the following contributions: Three-dimensional critical properties of CsNiF 3 around the Neel point; Spin waves in CsNiF 3 with an applied magnetic field; Solitons in CsNiF 3 : Their experimental evidence and their thermodynamics; Neutron diffraction study of DAG at very low temperatures and in external magnetic field; Neutron diffraction investigation of tricritical behaviour in DyPO 4 ; Crystalline modifications and structural phase transitions of NaOH; Gitterdynamik von Cerhydrid; Investigation of the ferroelectric-ferroelastic phase transition in KH 2 PO 4 and RbH 2 PO 4 by means of γ-ray diffractometry; A γ-ray diffractometer for systematic measurements of absolute structure factors; Electron density in pyrite by combined γ-ray and neutron diffraction measurements: Thermal parameters from short wavelength neutron data; Accurate determination of temperature parameters from neutron diffraction data: Direct observation of the thermal diffuse scattering from silicon using perfect crystals; A Compton spectrometer for momentum density studies using 412 keV γ-radiation; Investigation of the electronic structure of Niobiumhydrides by means of gamma-ray Compton scattering; Interpretation of Compton profile data in position space; High resolution neutron scattering measurements on single crystals using a horizontally bent monochromator and a multidetecter; Statistical analysis of neutron diffraction studies of proteins. (orig.) [de

  14. Temperature evolution of magnetic structure of HoFeO3 by single crystal neutron diffraction

    Directory of Open Access Journals (Sweden)

    T. Chatterji

    2017-04-01

    Full Text Available We have investigated the temperature evolution of the magnetic structures of HoFeO3 by single crystal neutron diffraction. The three different magnetic structures werevfound as a function of temperature for HoFeO3. In all three phases the fundamental coupling between the Fe sub-lattices remains the same and only their orientation and the degree of canting away from the ideal axial direction varies. The magnetic polarisation of the Ho sub-lattices in these two higher temperature regions, in which the major components of the Fe moment lie along x and y, is very small. The canting of the moments from the axial directions is attributed to the antisymmetric interactions allowed by the crystal symmetry. In the low temperature phase two further structural transitions are apparent in which the spontaneous magnetisation changes sign with respect to the underlying antiferromagnetic configuration. In this temperature range the antisymmetric exchange energy varies rapidly as the the Ho sub-lattices begin to order. So long as the ordered Ho moments are small the antisymmetric exchange is due only to Fe-Fe interactions, but as the degree of Ho order increases the Fe-Ho interactions take over whilst at the lowest temperatures, when the Ho moments approach saturation the Ho-Ho interactions dominate. The reversals of the spontaneous magnetisation found in this study suggest that in HoFeO3 the sums of the Fe-Fe and Ho-Ho antisymmetric interactions have the same sign as one another, but that of the Ho-Fe terms is opposite.

  15. Neutron matter, symmetry energy and neutron stars

    Energy Technology Data Exchange (ETDEWEB)

    Stefano, Gandolfi [Los Alamos National Laboratory (LANL); Steiner, Andrew W [ORNL

    2016-01-01

    Recent progress in quantum Monte Carlo with modern nucleon-nucleon interactions have enabled the successful description of properties of light nuclei and neutron-rich matter. Of particular interest is the nuclear symmetry energy, the energy cost of creating an isospin asymmetry, and its connection to the structure of neutron stars. Combining these advances with recent observations of neutron star masses and radii gives insight into the equation of state of neutron-rich matter near and above the saturation density. In particular, neutron star radius measurements constrain the derivative of the symmetry energy.

  16. Neutron in biology

    International Nuclear Information System (INIS)

    Niimura, Nobuo

    1997-01-01

    Neutron in biology can provide an experimental method of directly locating relationship of proteins and DNA. However, there are relatively few experimental study of such objects since it takes a lot of time to collect a sufficient number of Bragg reflections and inelastic spectra due to the low flux of neutron illuminating the sample. Since a next generation neutron source of JAERI will be 5MW spallation neutron source and its effective neutron flux will be 10 2 to 10 3 times higher than the one of JRR-3M, neutron in biology will open a completely new world for structural biology. (author)

  17. Layered semiconductor neutron detectors

    Science.gov (United States)

    Mao, Samuel S; Perry, Dale L

    2013-12-10

    Room temperature operating solid state hand held neutron detectors integrate one or more relatively thin layers of a high neutron interaction cross-section element or materials with semiconductor detectors. The high neutron interaction cross-section element (e.g., Gd, B or Li) or materials comprising at least one high neutron interaction cross-section element can be in the form of unstructured layers or micro- or nano-structured arrays. Such architecture provides high efficiency neutron detector devices by capturing substantially more carriers produced from high energy .alpha.-particles or .gamma.-photons generated by neutron interaction.

  18. Structure of stable binary neutron star merger remnants: Role of initial spin

    Science.gov (United States)

    Kastaun, W.; Ciolfi, R.; Endrizzi, A.; Giacomazzo, B.

    2017-08-01

    We present general relativistic numerical simulations of binary neutron star (BNS) mergers with different initial spin configurations. We focus on models with stars of mass 1.4 M⊙ each, which employ the equation of state (EOS) by Shen, Horowitz, and Teige, and which result in stable NSs as merger remnants. For comparison, we consider two irrotational equal mass (M =1.35 M⊙) and unequal mass (M =1.29 , 1.42 M⊙ ) BNS models using the APR4 EOS, which result in a supramassive merger remnant. We present visualizations of the fluid flow and temperature distribution and find a strong impact of the spin on vortex structure and nonaxisymmetric deformation. We compute the radial mass distribution and the rotation profile in the equatorial plane using recently developed measures independent of spatial gauge, revealing slowly rotating cores that can be well approximated by the cores of spherical stars. We also study the influence of the spin on the inspiral phase and the gravitational wave (GW) signal. Using a newly developed analysis method, we further show that gravitational waveforms from BNS mergers can exhibit one or more phase jumps after merger, which occur together with minima of the strain amplitude. We provide a natural explanation in terms of the remnant's quadrupole moment, and show that cancellation effects due to phase jumps can have a strong impact on the GW power spectrum. Finally, we discuss the impact of the spin on the amount of ejected matter.

  19. Global trends and structural consequences of the proton-neutron interaction

    International Nuclear Information System (INIS)

    Zhang, J.-Y.; Brenner, D.S.; Casten, R.F.; Wesselborg, C.; Warner, D.D.

    1989-01-01

    It has long been recognized that nuclei do not have deformed ground states or exhibit significant collective behavior unless they contain minimum numbers of both protons and neutrons beyond closed shell configurations. In medium mass and heavy nuclei, for example, it has been shown that each valence nucleon must have available 4-10 valence nucleons of the opposite type before deformation sets in. Empirically is is found that experimental observables such as B(E2:2 + 1 →O + 1 ) values and E 4 + 1 /E 2 + 1 ratios, which are sensitive indicators of the degree of collectivity and deformation, correlate to a remarkable extent with the valence nucleon product, N p N n , which can be viewed as a rough first-order approximation to the integrated p-n interaction strength. Thus it has become clear that the p-n interaction among valence nucleons is largely responsible for deformation, configuration mixing and collectivity in nuclear matter. The success of the N p N n scheme has refocussed attention on the critical role played by the attractive p-n force in nuclear structure and we shall explore, here, several aspects of the interaction which have been highlighted by recent studies of empirical p-n interaction strengths. 23 refs., 8 figs

  20. Structure of the capsid of Kilham rat virus from small-angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Wobbe, C.R.; Mitra, S.; Ramakrishnan, V.

    1984-12-18

    The structure of empty capsids of Kilham rat virus, an autonomous parvovirus with icosahedral symmetry, was investigated by small-angle neutron scattering. From the forward scatter, the molecular weight was determined to be 4.0 x 10(6), and from the Guinier region, the radius of gyration was found to be 105 A in D2O and 104 A in H/sub 2/O. On the basis of the capsid molecular weight and the molecular weights and relative abundances of the capsid proteins, the authors propose that the capsid has a triangulation number of 1. Extended scattering curves and mathematical modeling revealed that the capsid consists of two shells of protein, the inner shell extending from 58 to 91 A in D2O and from 50 to 91 A in H/sub 2/O and containing 11% of the capsid scattering mass, and the outer shell extending to 121 A in H/sub 2/O and D2O. The inner shell appears to have a higher content of basic amino acids than the outer shell, based on its lower scattering density in D2O than in H/sub 2/O. The authors propose that all three capsid proteins contribute to the inner shell and that this basic region serves DNA binding and partial charge neutralization functions.

  1. Probing nanoparticle-macromolecule interaction and resultant structure by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Aswal, V.K.

    2013-01-01

    Nanoparticles display unique and distinct characteristics from those of their constituent atoms and bulk materials which are being employed in numerous applications in the fields of medicine, electronics, optics, communications, energy, environment etc. Many of these applications require adjoining of nanoparticles with macromolecules such as proteins, polymers and surfactants to obtain functional objects. For example, nanoparticle-protein complexes are of great importance in controlling enzymatic behavior, targeted drug delivery and developing biocompatible materials. The nanoparticles interfaced with polymers are shown to be useful in developing protein sensor arrays. Interaction of surfactants with nanoparticles is utilized extensively for technical and industrial applications associated with colloidal stability, detergency and design of nanostructured functional interfaces. The interaction of two components, nanoparticles and macromolecule, strongly depends on the characteristics of both the nanoparticles (size, shape, surface roughness, charge density etc.) and macromolecules (type, charge, shape and solution conditions etc.) used. The interaction of macromolecule on nanoparticle surface is a cumulative effect of a number of forces such as electrostatic force, covalent bonding, hydrogen bonding, non-polar interaction, hydrophobic interactions etc. These interactions depending on the system conditions can lead to various structures. Small-angle neutron scattering (SANS) with the possibility to vary contrast is an ideal technique to study such multi-component systems. In this talk, some of our results of SANS from the complexes of nanoparticle-protein and nanoparticle surfactant systems will be discussed. (author)

  2. Crystal structure and ionic conduction path of solid electrolytic materials by high temperature neutron diffraction method

    International Nuclear Information System (INIS)

    Yashima, Masatomo; Nomura, Katsuhiro

    2005-01-01

    Research of the distribution of oxide ions and the ionic conduction path of bismuth oxide (Bi 2 O 3 ), cerium oxide (CeO 2 ) and lanthanum gallate ((La 0.8 Sr 0.2 )(Ga 0.8 Mg 0.15 Co 0.05 )O 3-δ ) is stated. The high temperature neutron diffraction method, analytical method such as Rietveld method, crystal structure analysis of ionic conductor and MEM (Maximum- Entropy Method) are explained. The nuclear density distribution of oxide ions in bismuth oxide showed so larger distribution in the direction of and than Bi ions that the oxide ions conducted these direction in the crystal. The nuclear density distribution of oxide ions of cerium oxide indicated larger distribution in the direction of than Ce ions and its tendency was remarkable at high temperature. Accordingly, the oxide ions conducted in the direction of and . The oxide ions distribution in lanthanum gallate compound was larger and complicated than positive ions. The oxide ions conducted to by describing an arc between the two stable positions. The nuclear density on the conduction path increased with increasing temperature. This above result corresponded to increase of oxide ion conductivity in the area. (S.Y.)

  3. Have some large structures? Try small-angle neutron scattering (SANS)

    Science.gov (United States)

    Debeer-Schmitt, Lisa; Bailey, Kathy; He, Lilin; Wignall, George; Melnichenkov, Yuri; Littrell, Ken

    2011-03-01

    The small-angle neutron scattering (SANS) beam line, CG-2, has been in operation since 2007. CG-2 has been optimized so that structures from 0.5 to 200 nm can be thoroughly investigated. HFIR's cold source places the flux at CG-2 among the best in the world. Along with high flux, many varied sample environments can easily be integrated into the beam line which gives the user a versatile temperature range from 1.5 K to 1000 K. In addition there are two cryomagnets (horizontal 4.5 T and vertical 7 T), pressure cells and load frames available to users allowing for the availability of multiple configurations of experimental setups. Due to all the above equipment and the flux at CG-2, there have been many diverse and intriguing scientific developments. One such outcome is the study of flux-line lattices found in Type-II superconductors including the highly touted iron pnictides. Besides superconductors, other science studied on CG-2 ranges from molecular self-assembly and interactions in complex fluids to phase separation to grain growth and orientation in metallurgical alloys.

  4. DN-12 time of flight neutron spectrometer for investigation of structure and dynamics of microsamples

    International Nuclear Information System (INIS)

    Savenko, B.N.; Aksenov, V.L.; Balagurov, A.M.; Kozlenko, D.P.; Sheptyakov, D.V.

    1999-01-01

    DN-12 time of flight neutron spectrometer operating at IBR-2 high flux pulsed reactor at FLNP JINR, Dubna, Russia is described. It is designed for experiments with microsamples in wide range of temperatures and pressures. DN-12 allows to perform neutron diffraction experiments at temperatures down to 15 K and pressures up to 7 Gpa and inelastic incoherent scattering experiments (with samples which have large incoherent neutron scattering cross section) at pressures up to 5 GPa with sapphire anvil high pressure cells. The parameters of the spectrometer, recent results and future prospects are reviewed. (author)

  5. Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP γ-Phosphate*

    Science.gov (United States)

    Knihtila, Ryan; Holzapfel, Genevieve; Weiss, Kevin; Meilleur, Flora; Mattos, Carla

    2015-01-01

    RAS GTPase is a prototype for nucleotide-binding proteins that function by cycling between GTP and GDP, with hydrogen atoms playing an important role in the GTP hydrolysis mechanism. It is one of the most well studied proteins in the superfamily of small GTPases, which has representatives in a wide range of cellular functions. These proteins share a GTP-binding pocket with highly conserved motifs that promote hydrolysis to GDP. The neutron crystal structure of RAS presented here strongly supports a protonated γ-phosphate at physiological pH. This counters the notion that the phosphate groups of GTP are fully deprotonated at the start of the hydrolysis reaction, which has colored the interpretation of experimental and computational data in studies of the hydrolysis mechanism. The neutron crystal structure presented here puts in question our understanding of the pre-catalytic state associated with the hydrolysis reaction central to the function of RAS and other GTPases. PMID:26515069

  6. Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: Probing atomic structure in situ

    International Nuclear Information System (INIS)

    Wang, Hsiu-Wen; Fanelli, Victor R.; Reiche, Helmut M.; Larson, Eric; Taylor, Mark A.; Siewenie, Joan; Xu, Hongwu; Zhu, Jinlong; Page, Katharine

    2014-01-01

    This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO 2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO 2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H 2 and natural gas uptake/storage

  7. Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: Probing atomic structure in situ

    Science.gov (United States)

    Wang, Hsiu-Wen; Fanelli, Victor R.; Reiche, Helmut M.; Larson, Eric; Taylor, Mark A.; Xu, Hongwu; Zhu, Jinlong; Siewenie, Joan; Page, Katharine

    2014-12-01

    This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H2 and natural gas uptake/storage.

  8. Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: probing atomic structure in situ.

    Science.gov (United States)

    Wang, Hsiu-Wen; Fanelli, Victor R; Reiche, Helmut M; Larson, Eric; Taylor, Mark A; Xu, Hongwu; Zhu, Jinlong; Siewenie, Joan; Page, Katharine

    2014-12-01

    This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H2 and natural gas uptake/storage.

  9. Neutron scattering studies of structure, hydrothermal stability and transport in porous silica catalyst supports

    Science.gov (United States)

    Pollock, Rachel A.

    Mesoporous materials are interesting as catalyst supports, because molecules can move efficiently in and out of the pore network, but they must be stable in water if they are to be used for the production of biofuels. Before investigating hydrothermal stability and transport properties, the pore structure of SBA-15 was characterized using small angle neutron scattering (SANS) and non-local density functional theory (NLDFT) analysis of nitrogen sorption isotherms. A new Contrast Matching SANS method, using a range of probe molecules to directly probe the micropore size, gave a pore size distribution onset of 6 ± 0.2 Å, consistent with cylindrical pores formed from polymer template strands that unravel into the silica matrix. Diffraction intensity analysis of SANS measurements, combined with pore size distributions calculated from NLDFT, showed that the secondary pores are distributed relatively uniformly throughout the silica framework. The hydrothermal stability of SBA-15 was evaluated using a post-calcination hydrothermal treatment in both liquid and vapor phase water. The results were consistent with a degradation mechanism in which silica dissolves from regions of small positive curvature, e.g. near the entrance to the secondary pores, and is re-deposited deeper into the framework. Under water treatment at 115 °C, the mesopore diameter increases and the intra-wall void fraction decreases significantly. The behavior is similar for steam treatment, but occurs more slowly, suggesting that transport is faster when condensation occurs in the pores. Quasielastic neutron scattering (QENS) measurements of methane in SBA-15 probed the rotational and translational motion as a function of temperature and loading. A qualitative analysis of the QENS data suggested that for the initial dose of methane at 100 K, the self diffusion constant is similar in magnitude to literature values for methane in ZSM-5 and Y-zeolite, showing that the secondary pores trap methane and limit

  10. The structure of molecular liquids. Neutron diffraction and molecular dynamics simulations

    International Nuclear Information System (INIS)

    Bianchi, L.

    2000-05-01

    Neutron diffraction (ND) measurements on liquid methanol (CD 3 OD, CD 3 O(H/D), CD 3 OH) under ambient conditions were performed to obtain the distinct (intra- + inter-molecular), G dist (r) and inter-molecular, G inter (r) radial distribution functions (rdfs) for the three samples. The H/D substitution on hydroxyl-hydrogen (Ho) has been used to extract the partial distribution functions, G XHo (r) (X=C, O, and H - a methyl hydrogen) and G XX (r) at both the distinct and inter-molecular levels from the difference techniques of ND. The O-Ho bond length, which has been the subject of controversy in the past, is found purely from the distinct partial distribution function, G XHo (r) to be 0.98 ± 0.01 A. The C-H distance obtained from the distinct G XX (r) partial is 1.08 ± 0.01 A. These distances determined by fitting an intra-molecular model to the total distinct structure functions are 0.961 ± 0.001 A and 1.096 ± 0.001 A, respectively. The inter-molecular G XX (r) function, dominated by contributions from the methyl groups, apart from showing broad oscillations extending up to ∼14 A is featureless, mainly because of cancellation effects from six contributing pairs. The Ho-Ho partial pair distribution function (pdf), g HoHo (r), determined from the second order difference, shows that only one other Ho atom can be found within a mean Ho-Ho separation of 2.36 A. The average position of the O-Ho hydrogen bond determined for the first time purely from experimental inter-molecular G XHo (r) partial distribution function is found to be at 1.75 ± 0.03 A. The experimental structural results at the partial distribution level are compared with those obtained from molecular dynamics (MD) simulations performed in NVE ensemble by using both 3- and 6-site force field models for the first time in this study. The MD simulations with both the models reproduce the ND rdfs rather well. However, discrepancies begin to appear between the simulated and the experimental partial

  11. Octupole deformation in neutron-rich actinides and superheavy nuclei and the role of nodal structure of single-particle wavefunctions in extremely deformed structures of light nuclei

    Science.gov (United States)

    Afanasjev, A. V.; Abusara, H.; Agbemava, S. E.

    2018-03-01

    Octupole deformed shapes in neutron-rich actinides and superheavy nuclei as well as extremely deformed shapes of the N∼ Z light nuclei have been investigated within the framework of covariant density functional theory. We confirmed the presence of new region of octupole deformation in neutron-rich actinides with the center around Z∼ 96,N∼ 196 but our calculations do not predict octupole deformation in the ground states of superheavy Z≥slant 108 nuclei. As exemplified by the study of 36Ar, the nodal structure of the wavefunction of occupied single-particle orbitals in extremely deformed structures allows to understand the formation of the α-clusters in very light nuclei, the suppression of the α-clusterization with the increase of mass number, the formation of ellipsoidal mean-field type structures and nuclear molecules.

  12. The determination of the crystal structures of some uranium compounds by means of x-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Adrian, H.W.W.

    1977-10-01

    In industrial uranium processing or reprocessing procedures, aqueous uranyl nitrate solutions are an intermediate product. The compounds, whose structures are reported, might prove valuable as alternative crystallization products to existing methods of extracting the uranium from solution. The compounds are obtained by the addition of hydroxylammonium to the uranyl nitrate solution and are of the general formula UO 2 (NH 2 0) 2 .xH 2 0, where x can take the values zero, two, three and four. In addition a compound of the formula UO 2 (NH 2 0) 2 .2(NH 2 CH).2H 2 0 was obtained. The UO 2 (NH 2 0) compound crystallized in a monoclinic crystal form. Crystals large enough for neutron diffraction were not obtained. The structure of the UO 2 (NH 2 0) 2 .2H 2 0 could not be solved because only disordered crystalline material was available. The structure of UO 2 (NH 2 0) 2 .3H 2 0 was solved by means of room- and low-temperature neutron diffraction. The unit cell is orthorhombic. The structure of α-UO 2 (NH 2 0) 2 .4H 2 0 was investigated by means of room-temperature x-ray and room- and low-temperature neutron diffraction. The unit cell is triclinic. This compound strongly resembles the trihydrate. The UO 2 (NH 2 0) 2 .2(NH 2 0H).2H 2 0 compound gave crystals large enough for single crystal x-ray but not neutron diffraction. The unit cell is orthorhombic. The characteristic powder patterns (indexed except for the dihydrate compound) of the above compounds are reported [af

  13. Laser - Polarized HE-3 Target Used for a Precision Measurement of the Neutron Spin Structure

    Energy Technology Data Exchange (ETDEWEB)

    Romalis, M

    2003-11-05

    This thesis describes a precision measurement of the deep inelastic neutron spin structure function g{sub 1}{sup n}(x). The main motivation for the experiment is a test of the Bjorken sum rule. Because of smaller statistical errors and broader kinematic coverage than in previous experiments, we are able to study in detail the behavior of the spin structure function g{sub 1}{sup n}(x) for low values of the Bjorken scaling variable x. We find that it has a strongly divergent behavior, in contradiction to the naive predictions of the Regge theory. This calls into question the methods commonly used for extrapolation of g{sub 1}{sup n}(x) to x = 0. The difference between the proton and the neutron spin structure functions is less divergent at low x, so a test of the Bjorken sum rule is possible. We confirm the sum rule with an accuracy of 8%. The experiment was performed at SLAC using a 50 GeV polarized electron beam and a polarized {sup 3}He target. In this thesis the polarized target is described in detail. We used the technique of Rb optical pumping and Rb-He spin exchange to polarize the {sup 3}He. Because of a novel mechanical design our target had the smallest dilution ever achieved for a high density gas target. Since this is a precision measurement, particular efforts were made to reduce the systematic errors due to the uncertainty in the target parameters. Most important parameters were measured by more than one method. We implemented novel techniques for measuring the thickness of the glass windows of the target, the {sup 3}He density, and the polarization. In particular, one of the methods for measuring the gas density relied on the broadening of the Rb optical absorption lines by collisions with {sup 3}He atoms. The calibration of this technique resulted in the most precise measurements of the pressure broadening parameters for {sup 3}He as well as several other gases, which are described in an Appendix. The polarization of the {sup 3}He was also measured by

  14. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.

    Science.gov (United States)

    Qvist, Johan; Schober, Helmut; Halle, Bertil

    2011-04-14

    One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a three-dimensional network of relatively strong H-bonds. This challenge is exacerbated in the supercooled state, where the dramatic slowing down of structural dynamics is reminiscent of the, equally poorly understood, generic behavior of liquids near the glass transition temperature. By probing single-molecule dynamics on a wide range of time and length scales, quasielastic neutron scattering (QENS) can potentially reveal the mechanistic details of water's structural dynamics, but because of interpretational ambiguities this potential has not been fully realized. To resolve these issues, we present here an extensive set of high-quality QENS data from water in the range 253-293 K and a corresponding set of molecular dynamics (MD) simulations to facilitate and validate the interpretation. Using a model-free approach, we analyze the QENS data in terms of two motional components. Based on the dynamical clustering observed in MD trajectories, we identify these components with two distinct types of structural dynamics: picosecond local (L) structural fluctuations within dynamical basins and slower interbasin jumps (J). The Q-dependence of the dominant QENS component, associated with J dynamics, can be quantitatively rationalized with a continuous-time random walk (CTRW) model with an apparent jump length that depends on low-order moments of the jump length and waiting time distributions. Using a simple coarse-graining algorithm to quantitatively identify dynamical basins, we map the newtonian MD trajectory on a CTRW trajectory, from which the jump length and waiting time distributions are computed. The jump length distribution is gaussian and the rms jump length increases from 1.5 to 1.9 Å as the temperature increases from 253 to 293 K. The rms basin radius increases from 0.71 to 0.75 Å over the same range. The

  15. Structure and properties of aqueous methylcellulose gels by small-angle neutron scattering.

    Science.gov (United States)

    Chatterjee, Tirtha; Nakatani, Alan I; Adden, Roland; Brackhagen, Meinolf; Redwine, David; Shen, Hongwei; Li, Yongfu; Wilson, Tricia; Sammler, Robert L

    2012-10-08

    Cold, semidilute, aqueous solutions of methylcellulose (MC) are known to undergo thermoreversible gelation when warmed. This study focuses on two MC materials with much different gelation performance (gel temperature and hot gel modulus) even though they have similar metrics of their coarse-grained chemical structure (degree-of-methylether substitution and molecular weight distribution). Small-angle neutron scattering (SANS) experiments were conducted to probe the structure of the aqueous MC materials at pre- and postgel temperatures. One material (MC1, higher gel temperature) exhibited a single almost temperature-insensitive gel characteristic length scale (ζ(c) = 1090 ± 50 Å) at postgelation temperatures. This length scale is thought to be the gel blob size between network junctions. It also coincides with the length scale between entanglement sites measured with rheology studies at pregel temperatures. The other material (MC2, lower gel temperature) exhibited two distinct length scales at all temperatures. The larger length scale decreased as temperature increased. Its value (ζ(c1) = 1046 ± 19 Å) at the lowest pregel temperature was indistinguishable from that measured for MC1, and reached a limiting value (ζ(c1) = 450 ± 19 Å) at high temperature. The smaller length scale (ζ(c2) = 120 to 240 Å) increased slightly as temperature increased, but remained on the order of the chain persistence length (130 Å) measured at pregel temperatures. The smaller blob size (ζ(c1)) of MC2 suggests a higher bond energy or a stiffer connectivity between network junctions. Moreover, the number density of these blobs, at the same reduced temperature with respect to the gel temperature, is orders of magnitude higher for the MC2 gels. Presumably, the smaller gel length scale and higher number density lead to higher hot gel modulus for the low gel temperature material.

  16. Neutron diffraction and oxide research

    International Nuclear Information System (INIS)

    Hunter, B.; Howard, C.J.; Kennedy, B.J.

    1999-01-01

    Oxide compounds form a large class of interesting materials that have a diverse range of mechanical and electronic properties. This diversity and its commercial implications has had a significant impact on physics research. This is particularly evident in the fields of superconductivity magnetoresistivity and ferroelectricity, where discoveries in the last 15 years have given rise to significant shifts in research activities. Historically, oxides have been studied for many years, but it is only recently that significant effort has been diverted to the study of oxide materials for their application to mechanical and electronic devices. An important property of such materials is the atomic structure, for the determination of which diffraction techniques are ideally suited. Recent examples of structure determinations using neutron diffraction in oxide based systems are high temperature superconductors, where oxygen defects are a key factor. Here, neutron diffraction played a major role in determining the effect of oxygen on the superconducting properties. Similarly, neutron diffraction has enjoyed much success in the determination of the structures of the manganate based colossal magnetoresistive (CMR) materials. In both these cases the structure plays a pivotal role in determining theoretical models of the electronic properties. The neutron scattering group at ANSTO has investigated several oxide systems using neutron powder diffraction. Two such systems are presented in this paper; the zirconia-based materials that are used as engineering materials, and the perovskite-based oxides that include the well known cuprate superconductors and the manganate CMR materials

  17. Structural studies of WO3-TeO2 glasses by high-Q-neutron diffraction and Raman spectroscopy

    International Nuclear Information System (INIS)

    Khanna, A.; Kaur, A.; Krishna, P.S.R.; Shinde, A.B.

    2013-01-01

    Glasses from the system: xWO 3 -(100-x)TeO 2 (x=15, 20 and 25 mol %) were prepared by melt quenching technique and characterized by density, UV-visible absorption spectroscopy, Differential Scanning Calorimetry (DSC), Raman spectroscopy and high-Q neutron diffraction measurements. Glass density and glass transition temperature increased with increase in WO 3 concentration, Raman spectroscopy indicated the conversion of TeO 4 units into TeO 3 units with increase in WO 3 content. The increase in glass transition temperature with the incorporation of WO 3 was attributed to the increase in average bond strength of the glass network since the bond dissociation energy of W-O bonds (672 kJ/mol) is significantly higher than that of Te-O bonds (376 kJ/mol). UV-visible studies found a very strong optical absorption band due to W 6+ ions, just below the absorption edge. High-Q neutron diffraction measurements were performed on glasses and radial distribution function analyses revealed changes in W-O and Te-O correlations in the glass network. The findings about changes in glass structure from neutron diffraction studies were consistent with structural information obtained from Raman spectroscopy and structure-property correlations were made. (author)

  18. Effects of pressure and temperature on pore structure of ceramic synthesized from rice husk: A small angle neutron scattering investigation

    International Nuclear Information System (INIS)

    Raut Dessai, R.; Desa, J.A.E.; Sen, D.; Mazumder, S.

    2013-01-01

    Highlights: ► A porous ceramic has been prepared from silica obtained from rice husk. ► The ceramic has a hierarchical pore structure from micrometric to nano-metric. ► Small Angle Neutron Scattering data indicate nano-pore connectivity to micro-pores. ► Pore morphology can be tuned by compaction pressure and sintering temperature. -- Abstract: Ceramic powder has been synthesized from rice husk as the source of silica. In order to probe the evolution of its hierarchical mesoscopic and microscopic porous structure, the ceramic powder was compacted at different pressures and was sintered at different temperatures. A glassy ceramic to crystalline transition under thermal treatment (up to 1000 °C) was revealed by X-ray diffraction. Existence of pores in two widely separated length scales was indicated by small angle neutron scattering with the smaller ones having mass fractal arrangement. Although no significant change in small pore structure under thermal effect was indicated, a significant modification of the same has been revealed by small angle neutron scattering at different compaction pressures. Connectivity between the pores was ascertained from scattering experiments on the ceramic compact impregnated with heavy water. Scanning electron microscopy shows the microstructure to undergo appreciable coalescence of micrometric ceramic particles for sintering temperature and pressure changes

  19. Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulations.

    Science.gov (United States)

    Pan, Jianjun; Cheng, Xiaolin; Sharp, Melissa; Ho, Chian-Sing; Khadka, Nawal; Katsaras, John

    2015-01-07

    The detailed structural and mechanical properties of a tetraoleoyl cardiolipin (TOCL) bilayer were determined using neutron spin echo (NSE) spectroscopy, small angle neutron and X-ray scattering (SANS and SAXS, respectively), and molecular dynamics (MD) simulations. We used MD simulations to develop a scattering density profile (SDP) model, which was then utilized to jointly refine SANS and SAXS data. In addition to commonly reported lipid bilayer structural parameters, component distributions were obtained, including the volume probability, electron density and neutron scattering length density. Of note, the distance between electron density maxima DHH (39.4 Å) and the hydrocarbon chain thickness 2DC (29.1 Å) of TOCL bilayers were both found to be larger than the corresponding values for dioleoyl phosphatidylcholine (DOPC) bilayers. Conversely, TOCL bilayers have a smaller overall bilayer thickness DB (36.7 Å), primarily due to their smaller headgroup volume per phosphate. SDP analysis yielded a lipid area of 129.8 Å(2), indicating that the cross-sectional area per oleoyl chain in TOCL bilayers (i.e., 32.5 Å(2)) is smaller than that for DOPC bilayers. Multiple sets of MD simulations were performed with the lipid area constrained at different values. The calculated surface tension versus lipid area resulted in a lateral area compressibility modulus KA of 342 mN m(-1), which is slightly larger compared to DOPC bilayers. Model free comparison to experimental scattering data revealed the best simulated TOCL bilayer from which detailed molecular interactions were determined. Specifically, Na(+) cations were found to interact most strongly with the glycerol hydroxyl linkage, followed by the phosphate and backbone carbonyl oxygens. Inter- and intra-lipid interactions were facilitated by hydrogen bonding between the glycerol hydroxyl and phosphate oxygen, but not with the backbone carbonyl. Finally, analysis of the intermediate scattering functions from NSE

  20. A study on structure defects in irradiated lithium fluoride (thermal neutrons); Etude des imperfections de structure du fluorure de lithium irradie (neutrons thermiques)

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, M

    1958-06-19

    A study was made of the behavior of atomic defects, vacancies and interstitials, generated from the Li{sup 6}(n,{alpha})H{sup 3} reaction in Lip crystals. Defects appear as cavities and platelets around ten angstrom in size and increase both with neutron dose and annealing temperature. For longer irradiations, metallic lithium precipitates out, in epitaxy with LiF lattice, and later, lithium salts appear due to the penetration of atmospheric gases through the cracks present in the damaged crystal. Various x-ray experiments followed the formation and evolution of these imperfections when their atomic concentration reached 10{sup -4}. (author)