Science.gov

Sample records for accelerator-based pulsed neutron-scattering

  1. Pulsed Neutron Scattering Studies of Strongly Fluctuating solids, Final Report

    SciTech Connect

    Collin Broholm

    2006-06-22

    The conventional description of a solid is based on a static atomic structure with small amplitude so-called harmonic fluctuations about it. This is a final technical report for a project that has explored materials where fluctuations are sufficiently strong to severely challenge this approach and lead to unexpected and potentially useful materials properties. Fluctuations are enhanced when a large number of configurations share the same energy. We used pulsed spallation source neutron scattering to obtain detailed microscopic information about structure and fluctuations in such materials. The results enhance our understanding of strongly fluctuating solids and their potential for technical applications. Because new materials require new experimental techniques, the project has also developed new techniques for probing strongly fluctuating solids. Examples of material that were studied are ZrW2O8 with large amplitude molecular motion that leads to negative thermal expansion, NiGa2S4 where competing interactions lead to an anomalous short range ordered magnet, Pr1- xBixRu2O7 where a partially filled electron shell (Pr) in a weakly disordered environment produces anomalous metallic properties, and TbMnO3 where competing interactions lead to a magneto-electric phase. The experiments on TbMnO3 exemplify the relationship between research funded by this project and future applications. Magneto-electric materials may produce a magnetic field when an electric field is applied or vise versa. Our experiments have clarified the reason why electric and magnetic polarization is coupled in TbMnO3. While this knowledge does not render TbMnO3 useful for applications it will focus the search for a practical room temperature magneto-electric for applications.

  2. Neutron scattering studies of the dynamics of biopolymer-water systems using pulsed-source spectrometers

    SciTech Connect

    Middendorf, H.D.; Miller, A.

    1994-12-31

    Energy-resolving neutron scattering techniques provide spatiotemporal data suitable for testing and refining analytical models or computer simulations of a variety of dynamical processes in biomolecular systems. This paper reviews experimental work on hydrated biopolymers at ISIS, the UK Pulsed Neutron Facility. Following an outline of basic concepts and a summary of the new instrumental capabilities, the progress made is illustrated by results from recent experiments in two areas: quasi- elastic scattering from highly hydrated polysaccharide gels (agarose and hyaluronate), and inelastic scattering from vibrational modes of slightly hydrated collagen fibers.

  3. The performance of neutron scattering spectrometers at a long-pulse spallation source

    SciTech Connect

    Pynn, R.

    1997-06-01

    In this document the author considers the performance of a long pulse spallation source for those neutron scattering experiments that are usually performed with a monochromatic beam at a continuous wave (CW) source such as a nuclear reactor. The first conclusion drawn is that comparison of the performance of neutron scattering spectrometers at CW and pulsed sources is simpler for long-pulsed sources than it is for the short-pulse variety. Even though detailed instrument design and assessment will require Monte Carlo simulations (which have already been performed at Los Alamos for SANS and reflectometry), simple arguments are sufficient to assess the approximate performance of spectrometers at an LPSS and to support the contention that a 1 MW long-pulse source can provide attractive performance, especially for instrumentation designed for soft-condensed-matter science. Because coupled moderators can be exploited at such a source, its time average cold flux is equivalent to that of a research reactor with a power of about 15 MW, so only a factor of 4 gain from source pulsing is necessary to obtain performance that is comparable with the ILL. In favorable cases, the gain from pulsing can be even more than this, approaching the limit set by the peak flux, giving about 4 times the performance of the ILL. Because of its low duty factor, an LPSS provides the greatest performance gains for relatively low resolution experiments with cold neutrons. It should thus be considered complementary to short pulse sources which are most effective for high resolution experiments using thermal or epithermal neutrons.

  4. The performance of neutron scattering spectrometers at a long-pulse spallation source

    SciTech Connect

    Pynn, R.

    1995-04-01

    The first conclusion the author wants to draw is that comparison of the performance of neutron scattering spectrometers at CW and pulsed sources is simpler for long-pulsed sources than it is for the short-pulse variety. Even though detailed instrument design and assessment will require Monte Carlo simulations (which have already been performed at Los Alamos for SANS and reflectometry), simple arguments are sufficient to assess the approximate performance of spectrometers at an LPSS and to support the contention that a 1 MW long-pulse source can provide attractive performance, especially for instrumentation designed for soft-condensed-matter science. Because coupled moderators can be exploited at such a source, its time average cold flux is equivalent to that of a research reactor with a power of about 15 MW, so only a factor of 4 gain from source pulsing is necessary to obtain performance that is comparable with the ILL. In favorable cases, the gain from pulsing can be even more than this, approaching the limit set by the peak flux, giving about 4 times the performance of the ILL. Because of its low duty factor, an LPSS provides the greatest performance gains for relatively low resolution experiments with cold neutrons. It should thus be considered complementary to short pulse sources which are most effective for high resolution experiments using thermal or epithermal neutrons.

  5. Analysis and simulation of a small-angle neutron scattering instrument on a 1 MW long pulse spallation source

    SciTech Connect

    Olah, G.A.; Hjelm, R.P.; Lujan, M. Jr.

    1996-12-31

    We studied the design and performance of a small-angle neutron scattering (SANS) instrument for a proposed 1 MW, 60 Hz long pulsed spallation source at the Los Alamos Neutron Science Center (LANSCE). An analysis of the effects of source characteristics and chopper performance combined with instrument simulations using the LANSCE Monte Carlo instrument simulations package shows that the T{sub 0} chopper should be no more than 5 m from the source with the frame overlap and frame definition choppers at 5.6 and greater than 7 m, respectively. The study showed that an optimal pulse structure has an exponential decaying tail with {tau} {approx} 750 {mu}s. The Monte Carlo simulations were used to optimize the LPSS SANS, showing that an optimal length is 18 m. The simulations show that an instrument with variable length is best to match the needs of a given measurement. The performance of the optimized LPSS instrument was found to be comparable with present world standard instruments.

  6. A neutron imaging device for sample alignment in a pulsed neutron scattering instrument

    SciTech Connect

    Grazzi, F.; Scherillo, A.; Zoppi, M.

    2009-09-15

    A neutron-imaging device for alignment purposes has been tested on the INES beamline at ISIS, the pulsed neutron source of Rutherford Appleton Laboratory (U.K.). Its use, in conjunction with a set of movable jaws, turns out extremely useful for scattering application to complex samples where a precise and well-defined determination of the scattering volume is needed.

  7. Monte Carlo code for neutron scattering instrumentation design and analysis

    SciTech Connect

    Daemen, L.; Fitzsimmons, M.; Hjelm, R.; Olah, G.; Roberts, J.; Seeger, P.; Smith, G.; Thelliez, T.

    1996-09-01

    This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) at the Los Alamos National Laboratory (LANL). The development of next generation, accelerator based neutron sources calls for the design of new instruments for neutron scattering studies of materials. It will be necessary, in the near future, to evaluate accurately and rapidly the performance of new and traditional neutron instruments at short- and long-pulse spallation neutron sources, as well as continuous sources. We have developed a code that is a design tool to assist the instrument designer model new or existing instruments, test their performance, and optimize their most important features.

  8. Neutron scattering in Australia

    SciTech Connect

    Knott, R.B.

    1994-12-31

    Neutron scattering techniques have been part of the Australian scientific research community for the past three decades. The High Flux Australian Reactor (HIFAR) is a multi-use facility of modest performance that provides the only neutron source in the country suitable for neutron scattering. The limitations of HIFAR have been recognized and recently a Government initiated inquiry sought to evaluate the future needs of a neutron source. In essence, the inquiry suggested that a delay of several years would enable a number of key issues to be resolved, and therefore a more appropriate decision made. In the meantime, use of the present source is being optimized, and where necessary research is being undertaken at major overseas neutron facilities either on a formal or informal basis. Australia has, at present, a formal agreement with the Rutherford Appleton Laboratory (UK) for access to the spallation source ISIS. Various aspects of neutron scattering have been implemented on HIFAR, including investigations of the structure of biological relevant molecules. One aspect of these investigations will be presented. Preliminary results from a study of the interaction of the immunosuppressant drug, cyclosporin-A, with reconstituted membranes suggest that the hydrophobic drug interdigitated with lipid chains.

  9. MAGNETIC NEUTRON SCATTERING

    SciTech Connect

    ZALIZNYAK,I.A.; LEE,S.H.

    2004-07-30

    Much of our understanding of the atomic-scale magnetic structure and the dynamical properties of solids and liquids was gained from neutron-scattering studies. Elastic and inelastic neutron spectroscopy provided physicists with an unprecedented, detailed access to spin structures, magnetic-excitation spectra, soft-modes and critical dynamics at magnetic-phase transitions, which is unrivaled by other experimental techniques. Because the neutron has no electric charge, it is an ideal weakly interacting and highly penetrating probe of matter's inner structure and dynamics. Unlike techniques using photon electric fields or charged particles (e.g., electrons, muons) that significantly modify the local electronic environment, neutron spectroscopy allows determination of a material's intrinsic, unperturbed physical properties. The method is not sensitive to extraneous charges, electric fields, and the imperfection of surface layers. Because the neutron is a highly penetrating and non-destructive probe, neutron spectroscopy can probe the microscopic properties of bulk materials (not just their surface layers) and study samples embedded in complex environments, such as cryostats, magnets, and pressure cells, which are essential for understanding the physical origins of magnetic phenomena. Neutron scattering is arguably the most powerful and versatile experimental tool for studying the microscopic properties of the magnetic materials. The magnitude of the cross-section of the neutron magnetic scattering is similar to the cross-section of nuclear scattering by short-range nuclear forces, and is large enough to provide measurable scattering by the ordered magnetic structures and electron spin fluctuations. In the half-a-century or so that has passed since neutron beams with sufficient intensity for scattering applications became available with the advent of the nuclear reactors, they have became indispensable tools for studying a variety of important areas of modern science

  10. Small Angle Neutron Scattering

    SciTech Connect

    Urban, Volker S

    2012-01-01

    Small Angle Neutron Scattering (SANS) probes structural details at the nanometer scale in a non-destructive way. This article gives an introduction to scientists who have no prior small-angle scattering knowledge, but who seek a technique that allows elucidating structural information in challenging situations that thwart approaches by other methods. SANS is applicable to a wide variety of materials including metals and alloys, ceramics, concrete, glasses, polymers, composites and biological materials. Isotope and magnetic interactions provide unique methods for labeling and contrast variation to highlight specific structural features of interest. In situ studies of a material s responses to temperature, pressure, shear, magnetic and electric fields, etc., are feasible as a result of the high penetrating power of neutrons. SANS provides statistical information on significant structural features averaged over the probed sample volume, and one can use SANS to quantify with high precision the structural details that are observed, for example, in electron microscopy. Neutron scattering is non-destructive; there is no need to cut specimens into thin sections, and neutrons penetrate deeply, providing information on the bulk material, free from surface effects. The basic principles of a SANS experiment are fairly simple, but the measurement, analysis and interpretation of small angle scattering data involves theoretical concepts that are unique to the technique and that are not widely known. This article includes a concise description of the basics, as well as practical know-how that is essential for a successful SANS experiment.

  11. Neutron Scattering Stiudies

    SciTech Connect

    Kegel, Gunter H.R.; Egan, James J

    2007-04-18

    This project covers four principal areas of research: Elastic and inelastic neutron scattering studies in odd-A terbium, thulium and other highly deformed nuclei near A=160 with special regard to interband transitions and to the investigation of the direct-interaction versus the compound-nucleus excitation process in these nuclei. Examination of new, fast photomultiplier tubes suitable for use in a miniaturized neutron-time-of-flight spectrometer. Measurement of certain inelastic cross sections of 238U. Determination of the multiplicity of prompt fission gamma rays in even-A fissile actinides. Energies and mean lives of fission isomers produced by fast fission of even-Z, even-A actinides. Study of the mean life of 7Be in different host matrices and its possible astro-physical significance.

  12. Calculates Thermal Neutron Scattering Kernel.

    1989-11-10

    Version 00 THRUSH computes the thermal neutron scattering kernel by the phonon expansion method for both coherent and incoherent scattering processes. The calculation of the coherent part is suitable only for calculating the scattering kernel for heavy water.

  13. Small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Cousin, Fabrice

    2015-10-01

    Small Angle Neutron Scattering (SANS) is a technique that enables to probe the 3-D structure of materials on a typical size range lying from ˜ 1 nm up to ˜ a few 100 nm, the obtained information being statistically averaged on a sample whose volume is ˜ 1 cm3. This very rich technique enables to make a full structural characterization of a given object of nanometric dimensions (radius of gyration, shape, volume or mass, fractal dimension, specific area…) through the determination of the form factor as well as the determination of the way objects are organized within in a continuous media, and therefore to describe interactions between them, through the determination of the structure factor. The specific properties of neutrons (possibility of tuning the scattering intensity by using the isotopic substitution, sensitivity to magnetism, negligible absorption, low energy of the incident neutrons) make it particularly interesting in the fields of soft matter, biophysics, magnetic materials and metallurgy. In particular, the contrast variation methods allow to extract some informations that cannot be obtained by any other experimental techniques. This course is divided in two parts. The first one is devoted to the description of the principle of SANS: basics (formalism, coherent scattering/incoherent scattering, notion of elementary scatterer), form factor analysis (I(q→0), Guinier regime, intermediate regime, Porod regime, polydisperse system), structure factor analysis (2nd Virial coefficient, integral equations, characterization of aggregates), and contrast variation methods (how to create contrast in an homogeneous system, matching in ternary systems, extrapolation to zero concentration, Zero Averaged Contrast). It is illustrated by some representative examples. The second one describes the experimental aspects of SANS to guide user in its future experiments: description of SANS spectrometer, resolution of the spectrometer, optimization of spectrometer

  14. Monte Carlo simulation of neutron scattering instruments

    SciTech Connect

    Seeger, P.A.

    1995-12-31

    A library of Monte Carlo subroutines has been developed for the purpose of design of neutron scattering instruments. Using small-angle scattering as an example, the philosophy and structure of the library are described and the programs are used to compare instruments at continuous wave (CW) and long-pulse spallation source (LPSS) neutron facilities. The Monte Carlo results give a count-rate gain of a factor between 2 and 4 using time-of-flight analysis. This is comparable to scaling arguments based on the ratio of wavelength bandwidth to resolution width.

  15. Neutron Scattering Experiment Automation with Python

    SciTech Connect

    Zolnierczuk, Piotr A; Riedel, Richard A

    2010-01-01

    The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory currently holds the Guinness World Record as the world most powerful pulsed spallation neutron source. Neutrons scattered off atomic nuclei in a sample yield important information about the position, motions, and magnetic properties of atoms in materials. A neutron scattering experiment usually involves sample environment control (temperature, pressure, etc.), mechanical alignment (slits, sample and detector position), magnetic field controllers, neutron velocity selection (choppers) and neutron detectors. The SNS Data Acquisition System (DAS) consists of real-time sub-system (detector read-out with custom electronics, chopper interface), data preprocessing (soft real-time) and a cluster of control and ancillary PCs. The real-time system runs FPGA firmware and programs running on PCs (C++, LabView) typically perform one task such as motor control and communicate via TCP/IP networks. PyDas is a set of Python modules that are used to integrate various components of the SNS DAS system. It enables customized automation of neutron scattering experiments in a rapid and flexible manner. It provides wxPython GUIs for routine experiments as well as IPython command line scripting. Matplotlib and numpy are used for data presentation and simple analysis. We will present an overview of SNS Data Acquisition System and PyDas architectures and implementation along with the examples of use. We will also discuss plans for future development as well as the challenges that have to be met while maintaining PyDas for 20+ different scientific instruments.

  16. Generation, transport, and detection of linear accelerator based femtosecond-terahertz pulses.

    PubMed

    Park, Jaehun; Kim, Changbum; Lee, Jongseok; Yim, Changmook; Kim, Chul Hoon; Lee, Junghwa; Jung, Seonghoon; Ryu, Jaehyun; Kang, Heung-Sik; Joo, Taiha

    2011-01-01

    The generation and detection of intense terahertz (THz) radiation has drawn a great attention recently. The dramatically enhanced energy and peak electric field of the coherent THz radiation can be generated by coherent superposition of radiated fields emitted by ultrafast electron bunches. The femtosecond (fs)-THz beamline construction at the Pohang Accelerator Laboratory (PAL) was completed in the end of 2009. The fs-THz beamline at PAL can supply ultrafast and intense fs-THz radiation from a 75 MeV linear accelerator. The radiation is expected to have frequency up to 3 THz (∼100 cm(-1)) and the pulse width of <200 fs with pulse energy up to 10 μJ. This intense THz source has great potential for applications in nonlinear optical phenomena and fields such as material science, biomedical science, chemistry, and physics, etc. PMID:21280823

  17. Characteristic impedance and capacitance analysis of Blumlein type pulse forming line of accelerator based on tape helix

    SciTech Connect

    Zhang Yu; Liu Jinliang; Fan Xuliang; Zhang Hongbo; Wang Shiwen; Feng Jiahuai

    2011-10-15

    In this paper, the electromagnetic dispersion theory and the classic telegraph equations were combined to calculate the important parameters of the helical Blumlein pulse forming line (BPFL) of accelerator based on tape helix. In the work band of the BPFL at several hundred ns range, electromagnetic dispersion characteristics were almost determined by the zeroth harmonic. In order to testify the dispersion theory of BPFL in this paper, filling dielectrics, such as de-ionized water, transformer oil, and air were employed in the helical BPFL, respectively. Parameters such as capacitance, inductance, characteristic impedance, and pulse duration of the BPFL were calculated. Effects of dispersion on these parameters were analyzed. Circuit simulation and electromagnetic simulation were carried out to prove these parameters of BPFL filled with these three kinds of dielectrics, respectively. The accelerator system was set up, and experimental results also corresponded to the theoretical calculations. The average theoretical errors of impedances and pulse durations were 3.5% and 3.4%, respectively, which proved the electromagnetic dispersion analyses in this paper.

  18. Neutron scattering for analysis of processes in lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Balagurov, A. M.; Bobrikov, I. A.; Samoylova, N. Yu; Drozhzhin, O. A.; Antipov, E. V.

    2014-12-01

    The review is concerned with analysis and generalization of information on application of neutron scattering for elucidation of the structure of materials for rechargeable energy sources (mainly lithium-ion batteries) and on structural rearrangements in these materials occurring in the course of electrochemical processes. Applications of the main methods including neutron diffraction, small-angle neutron scattering, inelastic neutron scattering, neutron reflectometry and neutron introscopy are considered. Information on advanced neutron sources is presented and a number of typical experiments are outlined. The results of some studies of lithium-containing materials for lithium-ion batteries, carried out at IBR-2 pulsed reactor, are discussed. The bibliography includes 50 references.

  19. Neutron scattering in polymer physics

    NASA Astrophysics Data System (ADS)

    Richter, D.

    2000-03-01

    By example this short review presents recent scientific advances which were achieved by the application of neutron scattering to polymer systems, thereby, keeping in mind also practical applications. We first focus on experiments on the structure and morphology of polymer systems covering conformational studies, investigations on polymer-microemulsions systems and the observation of aggregation states in living polymerization. Thereafter, we present recent results in the field of polymer dynamics. We begin with local motions which are behind the classical relaxation processes in polymer melts. Then we relate to universal dynamics, we address the Rouse model and its limits, present new results on the dynamic miscibility in blends and display the latest investigations on entanglement dynamics. Finally, we report first observations of ripplon excitations of phase boundaries in diblock copolymer melts.

  20. Thermal neutron scattering in graphite

    NASA Astrophysics Data System (ADS)

    Al-Qasir, Iyad Ibrahim

    Generation IV Very High Temperature Reactor (VHTR) concepts, are graphite moderated and gas cooled thermal spectrum reactors. The characteristics of the low energy (E < 1 eV) neutron spectrum in these reactors will be dictated by the process of neutron slowing-down and thermalization in the graphite moderator. The ability to accurately predict this process in these reactors can have significant neutronic and safety implications. In reactor design calculations, thermal neutron scattering cross section libraries are needed for the prediction of the thermal neutron environment in the core. Currently used libraries (ENDF/B-VII) are a product of the 1960s and remain based on many physical approximations. In addition, these libraries show noticeable discrepancies with experimental data. In this work, investigation of thermal neutron scattering in graphite as a function of temperature was performed. The fundamental input for the calculation of thermal neutron scattering cross sections, i.e., the phonon frequency distribution and/or the dispersion relations, was generated using a modern approach that is based on quantum mechanical electronic structure (ab initio) simulations combined with a lattice dynamics direct method supercell approach. The calculations were performed using the VASP and PHONON codes. The VASP calculations used the local density approximation, and the projector augmented-wave pseudopotential. A supercell of 144 atoms was used; and the integration over the Brillouin zone was confined to a 3x3x4 k-mesh generated by the Monkhorst-Pack scheme. A plane-wave basis set with an energy cutoff of 500 eV was applied. The corresponding dispersion relations, heat capacity, and phonon frequency distribution show excellent agreement with experimental data. Despite the use of the above techniques to produce more accurate input data, the examination of the results indicated persistence of the inconsistencies between calculations and measurements at neutron energies

  1. American Conference on Neutron Scattering 2014

    SciTech Connect

    Dillen, J. Ardie

    2014-12-31

    Scientists from the around the world converged in Knoxville, TN to have share ideas, present technical information and contribute to the advancement of neutron scattering. Featuring over 400 oral/poster presentations, ACNS 2014 offered a strong program of plenary, invited and contributed talks and poster sessions covering topics in soft condensed matter, hard condensed matter, biology, chemistry, energy and engineering applications in neutron physics – confirming the great diversity of science that is enabled by neutron scattering.

  2. Neutron Scattering Studies of Fluorite Compounds.

    NASA Astrophysics Data System (ADS)

    Hackett, Michael Andrew

    Available from UMI in association with The British Library. Requires signed TDF. The properties of some important compounds with the fluorite structure have been investigated using neutron scattering techniques. All of the compounds in this study have important technological applications, as well as being of intrinsic scientific interest. Inelastic neutron scattering and high temperature technology have been used to measure phonon energies in thorium dioxide at temperatures above 3000K. These phonon energies have been used to determine the elastic constants as a function of temperature. Thorium dioxide provides an interesting comparison with uranium dioxide which has been studied in order to try and establish the cause of the anomalously large enthalpy of this compound. Quasielastic neutron scattering has been used to demonstrate that the dynamic ionic-disorder which occurs in ThO_2 behaves in a similar way to that observed in UO _2 at high temperature. Whilst at only 12K, splittings have been measured in the crystal field excitations of UO_2 which have a significant effect on the theoretical analysis of its thermodynamic properties. This experiment was performed using neutrons scattered with a high energy transfer. Elastic and quasielastic diffuse scattering have both been used to investigate the vacancy-stabilised cubic structure of yttria doped zirconia. Computer modelling of the measured neutron scattering intensities has played a vital role in this part of the study. By the combination of neutron scattering measurements and computational techniques a three part model has been developed for the defect structure in yttria-stabilised zirconia which can explain the ionic conductivity in this compound. Ionic disorder has been observed in the anti-fluorite compounds lithium oxide and magnesium silicide at high temperature, using diffuse quasielastic neutron scattering. The full phonon energy dispersion relation and the elastic constants at high temperature have also

  3. Hierarchical optimization for neutron scattering problems

    NASA Astrophysics Data System (ADS)

    Bao, Feng; Archibald, Rick; Bansal, Dipanshu; Delaire, Olivier

    2016-06-01

    We present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

  4. A workshop on enhanced national capability for neutron scattering

    SciTech Connect

    Hurd, Alan J; Rhyne, James J; Lewis, Paul S

    2009-01-01

    This two-day workshop will engage the international neutron scattering community to vet and improve the Lujan Center Strategic Plan 2007-2013 (SP07). Sponsored by the LANL SC Program Office and the University of California, the workshop will be hosted by LANSCE Professor Sunny Sinha (UCSD). Endorsement by the Spallation Neutron Source will be requested. The discussion will focus on the role that the Lujan Center will play in the national neutron scattering landscape assuming full utilization of beamlines, a refurbished LANSCE, and a 1.4-MW SNS. Because the Lujan Strategic Plan is intended to set the stage for the Signature Facility era at LANSCE, there will be some discussion of the long-pulse spallation source at Los Alamos. Breakout groups will cover several new instrument concepts, upgrades to present instruments, expanded sample environment capabilities, and a look to the future. The workshop is in keeping with a request by BES to update the Lujan strategic plan in coordination with the SNS and the broader neutron community. Workshop invitees will be drawn from the LANSCE User Group and a broad cross section of the US, European, and Pacific Rim neutron scattering research communities.

  5. Immersive Visual Analytics for Transformative Neutron Scattering Science

    SciTech Connect

    Steed, Chad A; Daniel, Jamison R; Drouhard, Margaret; Hahn, Steven E; Proffen, Thomas E

    2016-01-01

    The ORNL Spallation Neutron Source (SNS) provides the most intense pulsed neutron beams in the world for scientific research and development across a broad range of disciplines. SNS experiments produce large volumes of complex data that are analyzed by scientists with varying degrees of experience using 3D visualization and analysis systems. However, it is notoriously difficult to achieve proficiency with 3D visualizations. Because 3D representations are key to understanding the neutron scattering data, scientists are unable to analyze their data in a timely fashion resulting in inefficient use of the limited and expensive SNS beam time. We believe a more intuitive interface for exploring neutron scattering data can be created by combining immersive virtual reality technology with high performance data analytics and human interaction. In this paper, we present our initial investigations of immersive visualization concepts as well as our vision for an immersive visual analytics framework that could lower the barriers to 3D exploratory data analysis of neutron scattering data at the SNS.

  6. BUILDING A NETWORK FOR NEUTRON SCATTERING EDUCATION

    SciTech Connect

    Pynn, Roger; Baker, Shenda Mary; Louca, Despo A; McGreevy, Robert L; Ekkebus, Allen E; Kszos, Lynn A; Anderson, Ian S

    2008-10-01

    In a concerted effort supported by the National Science Foundation, the Department of Commerce, and the Department of Energy, the United States is rebuilding its leadership in neutron scattering capability through a significant investment in U.S. neutron scattering user facilities and related instrumentation. These unique facilities provide opportunities in neutron scattering to a broad community of researchers from academic institutions, federal laboratories, and industry. However, neutron scattering is often considered to be a tool for 'experts only' and in order for the U.S. research community to take full advantage of these new and powerful tools, a comprehensive education and outreach program must be developed. The workshop described below is the first step in developing a national program that takes full advantage of modern education methods and leverages the existing educational capacity at universities and national facilities. During March 27-28, 2008, a workshop entitled 'Building a Network for Neutron Scattering Education' was held in Washington, D.C. The goal of the workshop was to define and design a roadmap for a comprehensive neutron scattering education program in the United States. Successful implementation of the roadmap will maximize the national intellectual capital in neutron sciences and will increase the sophistication of research questions addressed by neutron scattering at the nation's forefront facilities. (See Appendix A for the list of attendees, Appendix B for the workshop agenda, Appendix C for a list of references. Appendix D contains the results of a survey given at the workshop; Appendix E contains summaries of the contributed talks.) The workshop brought together U.S. academicians, representatives from neutron sources, scientists who have developed nontraditional educational programs, educational specialists, and managers from government agencies to create a national structure for providing ongoing neutron scattering education. A

  7. Calculations of neutron spectra after neutron neutron scattering

    NASA Astrophysics Data System (ADS)

    Crawford, B. E.; Stephenson, S. L.; Howell, C. R.; Mitchell, G. E.; Tornow, W.; Furman, W. I.; Lychagin, E. V.; Muzichka, A. Yu; Nekhaev, G. V.; Strelkov, A. V.; Sharapov, E. I.; Shvetsov, V. N.

    2004-09-01

    A direct neutron-neutron scattering length, ann, measurement with the goal of 3% accuracy (0.5 fm) is under preparation at the aperiodic pulsed reactor YAGUAR. A direct measurement of ann will not only help resolve conflicting results of ann by indirect means, but also in comparison to the proton-proton scattering length, app, shed light on the charge-symmetry of the nuclear force. We discuss in detail the analysis of the nn-scattering data in terms of a simple analytical expression. We also discuss calibration measurements using the time-of-flight spectra of neutrons scattered on He and Ar gases and the neutron activation technique. In particular, we calculate the neutron velocity and time-of-flight spectra after scattering neutrons on neutrons and after scattering neutrons on He and Ar atoms for the proposed experimental geometry, using a realistic neutron flux spectrum—Maxwellian plus epithermal tail. The shape of the neutron spectrum after scattering is appreciably different from the initial spectrum, due to collisions between thermal-thermal and thermal-epithermal neutrons. At the same time, the integral over the Maxwellian part of the realistic scattering spectrum differs by only about 6 per cent from that of a pure Maxwellian nn-scattering spectrum.

  8. Direct Measurement of Neutron-Neutron Scattering

    SciTech Connect

    Sharapov, E.I.; Furman, W.I.; Lychagin, W.I.; Muzichka, G.V.; Nekhaev, G.V.; Safronov, Yu.V.; Shvetsov, V.N.; Strelkov, A.V.; Bowman, C.D.; Crawford, B.E.; Stephenson, S.L.; Howell, C.R.; Tornow, W.; Levakov, B.G.; Litvin, V.I.; Lyzhin, A.E.; Magda, E.P.; Mitchell, G.E.

    2003-08-26

    In order to resolve long-standing discrepancies in indirect measurements of the neutron-neutron scattering length ann and contribute to solving the problem of the charge symmetry of the nuclear force, the collaboration DIANNA (Direct Investigation of ann Association) plans to measure the neutron-neutron scattering cross section {sigma}nn. The key issue of our approach is the use of the through-channel in the Russia reactor YAGUAR with a peak neutron flux of 10{sup 18} /cm2/s. The proposed experimental setup is described. Results of calculations are presented to connect {sigma}nn with the nn-collision detector count rate and the neutron flux density in the reactor channel. Measurements of the thermal neutron fields inside polyethylene converters show excellent prospects for the realization of the direct nn-experiment.

  9. Neutron scattering studies in the actinide region

    SciTech Connect

    Beghian, L.E.; Kegel, G.H.R.

    1991-08-01

    During the report period we have investigated the following areas: Neutron elastic and inelastic scattering measurements on {sup 14}N, {sup 181}Ta, {sup 232}Th, {sup 238}U and {sup 239}Pu; Prompt fission spectra for {sup 232}Th, {sup 235}U, {sup 238}U and {sup 239}Pu; Theoretical studies of neutron scattering; Neutron filters; New detector systems; and Upgrading of neutron target assembly, data acquisition system, and accelerator/beam-line apparatus.

  10. Neutron scattering study of dilute supercritical solutions

    SciTech Connect

    Cochran, H.D.; Wignall, G.D.; Shah, V.M.; Londono, J.D.; Bienkowski, P.R.

    1994-10-01

    Dilute solutions in supercritical solvents exhibit interesting microstructures that are related to their dramatic macroscopic behavior. In typical attractive solutions, solutes are believed to be surrounded by clusters of solvent molecules, and solute molecules are believed to congregate in the vicinity of one another. Repulsive solutions, on the other hand, exhibit a local region of reduced solvent density around the solute with solute-solute congregation. Such microstructures influence solubility, partial molar volume, reaction kinetics, and many other properties. We have undertaken to observe these interesting microstructures directly by neutron scattering experiments on dilute noble gas systems including Ar. The three partial structure factors for such systems and the corresponding pair correlation functions can be determined by using the isotope substitution technique. The systems studied are uniquely suited for our objectives because of the large coherent neutron scattering length of the isotope {sup 36}Ar and because of the accurate potential energy functions that are available for use in molecular simulations and theoretical calculations to be compared with the scattering results. We will describe our experiment, the unique apparatus we have built for it, and the neutron scattering results from our initial allocations of beam time. We will also describe planned scattering experiments to follow those with noble gases, including study of long-chain molecules in supercritical solvents. Such studies will involve hydrocarbon mixtures with and without deuteration to provide contrast.

  11. Neutron scattering in the ribosome structure

    NASA Astrophysics Data System (ADS)

    Serdyuk, Igor N.

    1997-02-01

    Thermal neutron scattering has become a powerful instrument for studying the ribosome and its components. The application of neutron scattering allowed to establish some principal features of the ribosome structure: non-homogeneous distribution of the RNA and protein within ribosomal particles, the RNA role as a framework in the arrangement and maintenance of the structure of ribosomal particles, and the globular character of ribosomal proteins. The use of selective deuteration of separate ribosomal proteins in combination with the triangulation method revealed mutual spatial arrangement (the 3D-map) of all the ribosomal proteins within the small particle and in the most part of the large ribosomal particle. An essential impact has been made in the structural studies of ribosomes with the development of novel experimental approaches: triple isotopic substitution and spin contrast variation. These approaches with direct interpretation of spherical harmonics provide new possibilities for constructing models of ribosomal particles, opening principally new perspectives for joint use of X-ray synchrotron diffraction in crystals and small-angle neutron scattering in solution.

  12. Scientific opportunities with advanced facilities for neutron scattering

    SciTech Connect

    Lander, G.H.; Emery, V.J.

    1984-01-01

    The present report documents deliberations of a large group of experts in neutron scattering and fundamental physics on the need for new neutron sources of greater intensity and more sophisticated instrumentation than those currently available. An additional aspect of the Workshop was a comparison between steady-state (reactor) and pulsed (spallation) sources. The main conclusions were: (1) the case for a new higher flux neutron source is extremely strong and such a facility will lead to qualitatively new advances in condensed matter science and fundamental physics; (2) to a large extent the future needs of the scientific community could be met with either a 5 x 10/sup 15/ n cm/sup -2/s/sup -1/ steady state source or a 10/sup 17/ n cm/sup -2/s/sup -1/ peak flux spallation source; and (3) the findings of this Workshop are consistent with the recommendations of the Major Materials Facilities Committee.

  13. Neutron scattering studies of the heavy Fermion superconductors

    NASA Astrophysics Data System (ADS)

    Goldman, A. I.

    Recent neutron scattering measurements of the heavy Fermion superconductors are described. Those materials offer an exciting opportunity for neutron scattering since the f-electrons, which couple directly to magnetic scattering measurements, seem to be the same electrons which form the superconducting state below T sub c. In addition, studies of the magnetic fluctuations in these, and other heavy Fermion systems, by inelastic magnetic neutron scattering can provide information about the nature of the low temperature Fermi liquid character of these novel compounds.

  14. Inelastic Neutron Scattering from Glass Formers

    NASA Astrophysics Data System (ADS)

    Buchenau, U.

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

  15. Neutron Scattering Applied to Materials Problems

    SciTech Connect

    Morris, James R; Wang, Xun-Li; Fultz, B.

    2006-01-01

    Neutron scattering techniques for studying materials have been applied for more than 50 years, in part led by Clifford G. Shull and Bertram N. Brockhouse, who shared the 1994 Nobel Prize in physics. The award was given for their developments in studying both the structure and dynamics of materials. The application of neutron scattering to materials has received significantly greater attention in the last few years, due to the construction of the Spallation Neutron Source (SNS) at the Oak Ridge National laboratory. The SNS will provide unprecedented access to a wide variety of instruments designed for materials research. The idea for this series of articles originated during the 2005 TMS Annual Meeting. Two symposia were devoted to neutron scattering: Neutron Scattering in Materials Research; and Neutron Diffraction Characterization of Mechanical Behavior. the goal of these articles is to introduce techniques for studying materials using neutrons, particularly to answer what are considered traditional materials problems. The first article discusses structure and phase analysis. Neutrons may be used for diffraction, similar to x-rays. However, in certain circumstances, they bring particular advantages. For example, x-rays have difficulty 'seeing' light elements, particularly when heavier elements are present, whereas neutrons may scatter effectively from elements such as hydrogen and its isotopes. The scattering strength of neutrons is sensitive to the isotopic composition. This can be used to examine the influence of a particular element. Neutrons also interact magnetically, allowing their use for studying magnetic order in materials. Because neutrons are highly penetrating, in-situ investigations under special sample environments (e.g., temperature, magnetic field, high pressure) have become routine. The second article describes applications for studying residual stress and mechanical deformation. neutrons are better able to penetrate engineering components

  16. Inelastic neutron scattering in valence fluctuation compounds

    SciTech Connect

    Jon M Lawrence

    2011-02-15

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

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

    SciTech Connect

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

    1986-01-01

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

  18. Neutrons scattering studies in the actinide region

    SciTech Connect

    Kegel, G.H.R.; Egan, J.J.

    1992-09-01

    During the report period were investigated the following areas: prompt fission neutron energy spectra measurements; neutron elastic and inelastic scattering from [sup 239]Pu; neutron scattering in [sup 181]Ta and [sup 197]Au; response of a [sup 235]U fission chamber near reaction thresholds; two-parameter data acquisition system; black'' neutron detector; investigation of neutron-induced defects in silicon dioxide; and multiple scattering corrections. Four Ph.D. dissertations and one M.S. thesis were completed during the report period. Publications consisted of three journal articles, four conference papers in proceedings, and eleven abstracts of presentations at scientific meetings. There are currently four Ph.D. and one M.S. candidates working on dissertations directly associated with the project. In addition, three other Ph.D. candidates are working on dissertations involving other aspects of neutron physics in this laboratory.

  19. Neutron scattering studies of heavy Fermions

    NASA Astrophysics Data System (ADS)

    Shapiro, S. M.

    1985-08-01

    Heavy Fermions are f electron materials characterized by a large linear term in the low temperature specific heat and a large magnetic susceptibility at low temperatures. This implies that there is a narrow peak in the f electron density of states at the Fermi energy. Typical examples are CeAl3, UBe13, CeCu2Si2, CeCu6, U2Zn17 and UPt3. Neutron scattering measurements can play an important role in understanding the magnetic interactions in these systems. Measurements of the form reveal details about the nature of the wave functions. Inelastic scattering studies gives information about the energy scale of the spin fluctuations and the narrow f-resonance. Such measurements on the above systems are reviewed with the goal of establishing systematics between the information obtained in neutron studies and that from bulk measurements.

  20. Neutron scattering from elemental uranium and thorium

    SciTech Connect

    Smith, A.B. |; Chiba, S.

    1995-01-01

    Differential neutron-scattering cross sections of elemental uranium and thorium are measured from {approx} 4.5 to 10.0 MeV in steps of {approx} 0.5 MeV. Forty or more differential values are obtained at each incident energy, distributed between {approx} 17{degree} and 160{degree}. Scattered-neutron resolutions are carefully defined to encompass contributions from the first four members of the ground-state rotational band (0{sup 2} g.s., 2{sup +}, 4{sup +} and 6{sup +} states). The experimental results are interpreted in the context of coupled-channels rotational models, and comparisons made with the respective ENDF/B-VI evaluated files. These comparisons suggest some modifications of the ENDF/B-VI {sup 238}U and {sup 232}Th evaluations.

  1. Resonance effects in neutron scattering lengths

    SciTech Connect

    Lynn, J.E.

    1989-06-01

    The nature of neutron scattering lengths is described and the nuclear effects giving rise to their variation is discussed. Some examples of the shortcomings of the available nuclear data base, particularly for heavy nuclei, are given. Methods are presented for improving this data base, in particular for obtaining the energy variation of the complex coherent scattering length from long to sub-/angstrom/ wave lengths from the available sources of slow neutron cross section data. Examples of this information are given for several of the rare earth nuclides. Some examples of the effect of resonances in neutron reflection and diffraction are discussed. This report documents a seminar given at Argonne National Laboratory in March 1989. 18 refs., 18 figs.

  2. Slow-Neutron Scattering by Rotators. II

    NASA Technical Reports Server (NTRS)

    Volkin, Howard C.

    1960-01-01

    The methods developed in a previous paper for extending the neutron scattering formalism of Zemach and Glauber to any type of molecular rotator have been employed to derive generalized forms generalized forms of the differential cross sections for rotator scattering. A mass-ratio expansion for the treatment of the high-energy limit is illustrated on the classical cross section and then employed in the treatment of the more general quantum-mechanical expression for the differential cross section. The results apply to an arbitrarily asymmetric rotator. The very low energy approximation is carried out for the symmetric rotator, and the procedure is compared with the explicit summing of the partial cross sections for individual rotational transitions. The inelastic correction to the static approximation for interference scattering is calculated to an accuracy of first order in the mass ratios for the case of the symmetric rotator.

  3. Neutrons scattering studies in the actinide region

    NASA Astrophysics Data System (ADS)

    Kegel, G. H. R.; Egan, J. J.

    1992-09-01

    During the last report period, we investigated the following areas: prompt fission neutron energy spectra measurements; neutron elastic and inelastic scattering from Pu-239; neutron scattering in Ta-181 and Au-197; response of a U-235 fission chamber near reaction thresholds; two-parameter data acquisition system; 'black' neutron detector; investigation of neutron-induced defects in silicon dioxide; and multiple scattering corrections. Four Ph.D. dissertations and one M.S. thesis were completed during the report period. Publications consisted of three journal articles, four conference papers in proceedings, and eleven abstracts of presentations at scientific meetings. There are currently four Ph.D. and one M.S. candidates working on dissertations directly associated with the project. In addition, three other Ph.D. candidates are working on dissertations involving other aspects of neutron physics in this laboratory.

  4. Inelastic Neutron Scattering Study of Mn

    SciTech Connect

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

    1998-11-09

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

  5. Electron acceleration based on a laser pulse propagating through a plasma in the simultaneous presence of a helical wiggler and an obliquely applied external magnetic field

    NASA Astrophysics Data System (ADS)

    Gashti, M. A.; Jafari, S.

    2016-06-01

    Electron acceleration based on a laser pulse propagating through plasma channel has been studied in the simultaneous presence of a helical magnetic wiggler and an obliquely applied external magnetic field. A numerical study of electron energy and electron trajectory has been made using the fourth-order Runge-kutta method. Numerical results indicate that electron energy increases with decreasing θ -angle of the obliquely external magnetic field. Besides, it increases with increasing the amplitude of the obliquely magnetic field. It is also found that the electron attains a higher energy at shorter distances for higher amplitude of the wiggler field Ωw . Therefore, employing a magnetic wiggler field is very beneficial for electron acceleration in short distances. Further new results reveal that in the absence of the wiggler field (Ωw=0) , the electron energy increases with increasing the laser intensity, whereas in the presence of the wiggler field (Ωwneq0) , the electron energy increases with decreasing the laser intensity. As a result, employing a wiggler magnetic field in the laser-based electron accelerators can be worthwhile in the design of table top accelerators and it can enhance the electron energy at lower laser intensities.

  6. IB: a Monte Carlo Simulation Tool for Neutron Scattering Instrument Design under Parallel Virtual Machine

    SciTech Connect

    Zhao, Jinkui

    2011-01-01

    IB is a Monte Carlo simulation tool for aiding neutron scattering instrument designs. It is written in C++ and implemented under Parallel Virtual Machine. The program has a few basic components, or modules, that can be used to build a virtual neutron scattering instrument. More complex components, such as neutron guides and multichannel beam benders, can be constructed using the grouping technique unique to IB. Users can specify a collection of modules as a group. For example, a neutron guide can be constructed by grouping four neutron mirrors together that make up the four sides of the guide. IB s simulation engine ensures that neutrons entering a group will be properly operated upon by all members of the group. For simulations that require higher computer speed, the program can be run in parallel mode under the PVM architecture. Initially, the program was written for designing instruments on pulsed neutron sources, it has since been used to simulate reactor based instruments as well.

  7. Neutron Scattering from Polymers: Five Decades of Developing Possibilities.

    PubMed

    Higgins, J S

    2016-06-01

    The first three decades of my research career closely map the development of neutron scattering techniques for the study of molecular behavior. At the same time, the theoretical understanding of organization and motion of polymer molecules, especially in the bulk state, was developing rapidly and providing many predictions crying out for experimental verification. Neutron scattering is an ideal technique for providing the necessary evidence. This autobiographical essay describes the applications by my research group and other collaborators of increasingly sophisticated neutron scattering techniques to observe and understand molecular behavior in polymeric materials. It has been a stimulating and rewarding journey. PMID:27276548

  8. Probing fine magnetic particles with neutron scattering

    SciTech Connect

    Pynn, R.

    1991-12-31

    Because thermal neutrons are scattered both by nuclei and by unpaired electrons, they provide an ideal probe for studying the atomic and magnetic structures of fine-grained magnetic materials, including nanocrystalline solids, thin epitaxial layers, and colloidal suspensions of magnetic particles, known as ferrofluids. Diffraction, surface reflection, and small angle neutron scattering (SANS) are the techniques used. With the exception of surface reflection, these methods are described in this article. The combination of SANS with refractive-index matching and neutron polarisation analysis is particularly powerful because it allows the magnetic and atomic structures to be determined independently. This technique has been used to study both dilute and concentrated ferrofluid suspensions of relatively monodisperse cobalt particles, subjected to a series of applied magnetic fields. The size of the cobalt particle core and the surrounding surfactant layer were determined. The measured interparticle structure factor agrees well with a recent theory that allows correlations in binary mixtures of magnetic particles to be calculated in the case of complete magnetic alignment. When one of the species in such a binary mixture is a nonmagnetic, cyclindrical macromolecule, application of a magnetic field leads to some degree of alignment of the nonmagnetic species. This result has been demonstrated with tobacco mosaic virus suspended in a water-based ferrofluid.

  9. Probing fine magnetic particles with neutron scattering

    SciTech Connect

    Pynn, R.

    1991-01-01

    Because thermal neutrons are scattered both by nuclei and by unpaired electrons, they provide an ideal probe for studying the atomic and magnetic structures of fine-grained magnetic materials, including nanocrystalline solids, thin epitaxial layers, and colloidal suspensions of magnetic particles, known as ferrofluids. Diffraction, surface reflection, and small angle neutron scattering (SANS) are the techniques used. With the exception of surface reflection, these methods are described in this article. The combination of SANS with refractive-index matching and neutron polarisation analysis is particularly powerful because it allows the magnetic and atomic structures to be determined independently. This technique has been used to study both dilute and concentrated ferrofluid suspensions of relatively monodisperse cobalt particles, subjected to a series of applied magnetic fields. The size of the cobalt particle core and the surrounding surfactant layer were determined. The measured interparticle structure factor agrees well with a recent theory that allows correlations in binary mixtures of magnetic particles to be calculated in the case of complete magnetic alignment. When one of the species in such a binary mixture is a nonmagnetic, cyclindrical macromolecule, application of a magnetic field leads to some degree of alignment of the nonmagnetic species. This result has been demonstrated with tobacco mosaic virus suspended in a water-based ferrofluid.

  10. Phase sensitive small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Brok, Erik; Majkrzak, Charles F.; Krycka, Kathryn

    It is a well-known problem that information about the scattered wave is lost in scattering experiments because the measured quantity is the modulus squared of the complex wave function. This ''phase problem'' leads to ambiguity in determining the physical properties of the scattering sample. Small angle neutron scattering (SANS) is a useful technique for determining the structure of biomolecules, in particular proteins that cannot be crystallized and studied with x-ray crystallography. However, because the biomolecules are usually suspended in a liquid the observed scattering is an average of all possible orientations, making it difficult to obtain three dimensional structural information. In a proposed method polarized SANS and magnetic nanoparticle references attached to the sample molecules is used to obtain phase sensitive structural information and simultaneously circumvent the problem of orientational averaging (Majkrzak et al. J. Appl. Cryst. 47, 2014) If realized and perfected the technique is very promising for unambiguous determination of the three dimensional structure of biomolecules. We demonstrate the principles of our method and show the first experimental data obtained on a simple test system consisting of core shell magnetic nanoparticles.

  11. Polycrystalline neutron scattering for Geant4: NXSG4

    NASA Astrophysics Data System (ADS)

    Kittelmann, T.; Boin, M.

    2015-04-01

    An extension to Geant4 based on the nxs library is presented. It has been implemented in order to include effects of low-energy neutron scattering in polycrystalline materials, and is made available to the scientific community.

  12. Enhanced reaction rates in NDP analysis with neutron scattering

    SciTech Connect

    Downing, R. Gregory

    2014-04-15

    Neutron depth profiling (NDP) makes accessible quantitative information on a few isotopic concentration profiles ranging from the surface into the sample a few micrometers. Because the candidate analytes for NDP are few, there is little interference encountered. Furthermore, neutrons have no charge so mixed chemical states in the sample are of no direct concern. There are a few nuclides that exhibit large probabilities for neutron scattering. The effect of neutron scattering on NDP measurements has not previously been evaluated as a basis for either enhancing the reaction rates or as a source of measurement error. Hydrogen is a common element exhibiting large neutron scattering probability found in or around sample volumes being analyzed by NDP. A systematic study was conducted to determine the degree of signal change when neutron scattering occurs during analysis. The relative signal perturbation was evaluated for materials of varied neutron scattering probability, concentration, total mass, and geometry. Signal enhancements up to 50% are observed when the hydrogen density is high and in close proximity to the region of analysis with neutron beams of sub thermal energies. Greater signal enhancements for the same neutron number density are reported for thermal neutron beams. Even adhesive tape used to position the sample produces a measureable signal enhancement. Because of the shallow volume, negligible distortion of the NDP measured profile shape is encountered from neutron scattering.

  13. Solutions for implementing time-of-flight techniques in low-angle neutron scattering, as realized on the Low-Q Diffractometer at Los Alamos

    SciTech Connect

    Hjelm, R.P. Jr.; Seeger, P.A.

    1992-12-01

    The implementation of small-angle (Low-momentum transfer) neutron scattering at pulsed spallation sources, using time of flight methods, has meant the introduction of some new ideas in instrument design, data acquisition, data reduction and computer management of the experiment and the data. Here we recount some of the salient aspects of solutions for implementing time of fight small-angle neutron scattering instruments at pulsed sources, as realized on the Low-Q Diffractometer, LQD, at Los Alamos. We consider, fortlier, some of the problems that are yet to be solved, and take a short excursion into the future of SANS instrumentation at pulsed sources.

  14. Solutions for implementing time-of-flight techniques in low-angle neutron scattering, as realized on the Low-Q Diffractometer at Los Alamos

    SciTech Connect

    Hjelm, R.P. Jr.; Seeger, P.A.

    1992-01-01

    The implementation of small-angle (Low-momentum transfer) neutron scattering at pulsed spallation sources, using time of flight methods, has meant the introduction of some new ideas in instrument design, data acquisition, data reduction and computer management of the experiment and the data. Here we recount some of the salient aspects of solutions for implementing time of fight small-angle neutron scattering instruments at pulsed sources, as realized on the Low-Q Diffractometer, LQD, at Los Alamos. We consider, fortlier, some of the problems that are yet to be solved, and take a short excursion into the future of SANS instrumentation at pulsed sources.

  15. Neutron Scattering Studies of Fluorite Compounds

    NASA Astrophysics Data System (ADS)

    Goff, Jonathan Peter

    1992-01-01

    Available from UMI in association with The British Library. Requires signed TDF. The nature and mobility of defects in ionic materials with the fluorite structure have been studied using neutron scattering techniques. These systems model the behaviour of the fission fuel UO_2 at elevated temperature. A powder sample of beta -PbF_2 has been investigated using neutron diffraction, which gives the time-averaged occupation of sites in the unit cell. The temperature dependence of the lattice parameter, the concentration of Frenkel defects, and the thermal parameters of both fluorine and lead ions, have been determined at temperatures from ambient to well above the transition to the fast-ion phase. The defect structure of the anion-excess fluorite (Sr,Y)Cl_{2.03} has been studied using the coherent diffuse scattering from single -crystal samples. Excess chlorine ions are found to aggregate into cuboctahedral clusters whose ionic coordinates agree with those calculated from a simple hard sphere model. At elevated temperature the scattering exhibits quasielastic energy broadening, indicating the dynamic nature of the disorder. It is possible to account for the high temperature scattering in terms of 'snapshot' models of the diffusing anions and their associated relaxation fields, and to estimate the anion self diffusion coefficient from coherent scattering alone. Consistent and complementary information on the diffusion of chlorine ions in (Sr,Y)Cl_ {2.03} has been obtained from the quasielastic energy broadening of the single-crystal incoherent scattering measured at elevated temperature. Comparison with previous results from SrCl_2 shows that chlorine diffusion is faster in (Sr,Y)Cl_{2.03 }, and that the diffusional process in the anion-excess fluorite resembles that found when the level of thermally generated disorder is high in the pure compound. The coherent scatterer UO_{2 + delta} (delta = 0.13,0.14) transforms from a mixture of oxides at ambient temperature to a

  16. Complex Protein Structures by Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Glusker, Jenny

    2008-03-01

    Neutron scattering by an atom, unlike X-ray scattering, does not depend on the atomic number of that atom. Deuterium atoms scatter neutrons to the same extent as carbon or oxygen atoms and give positive peaks in a nuclear density map, while its isotope, hydrogen, gives a negative peak. Therefore neutron diffraction provides two results that are difficult to obtain from macromolecular X-ray diffraction studies: (1) the locations of hydrogen atoms, including the more mobile ones, and (2) the extent to which a hydrogen atom can be replaced by deuterium. The method shows whether an amino acid side chain (at a given pH value) is ionized or not. For example, one can ascertain whether histidine residues are singly or doubly protonated at the pH of study. Neutron diffraction studies can also be used to determine the absolute configuration of the course of a biochemical reaction by anomalous scattering and enzymatic deuteration of the substrate. Neutron diffraction experiments, however, require large crystals and these are often impossible to obtain for many macromolecules. Examples of reports of the use of neutron diffraction to provide information on enzymatic mechanism will be presented. This includes descriptions of our work on the enzyme D-xylose isomerase for which the orientation of a metal ion-bound water molecule in the active site was found. This water, thought to be involved in the isomerization step, was shown to be water (rather than hydroxyl) at pH 8.0. This analysis also revealed that one lysine has two rather than three attached hydrogen atoms and therefore lacks a positive charge. High-resolution X-ray studies (at 0.94 å) indicate how some side chains might move during catalysis. This combination of neutron and X-ray diffraction can contribute greatly to the elucidation of enzyme mechanisms. I thank Amy Katz, Xinmin Li, H. L. Carrell, Leighton Coates, Leif Hanson, Joel Harp, Paul Langan, and Benno Schoenborn who were involved in many of the described

  17. The world's first pelletized cold neutron moderator at a neutron scattering facility

    NASA Astrophysics Data System (ADS)

    Ananiev, V.; Belyakov, A.; Bulavin, M.; Kulagin, E.; Kulikov, S.; Mukhin, K.; Petukhova, T.; Sirotin, A.; Shabalin, D.; Shabalin, E.; Shirokov, V.; Verhoglyadov, A.

    2014-02-01

    In July 10, 2012 cold neutrons were generated for the first time with the unique pelletized cold neutron moderator CM-202 at the IBR-2M reactor. This new moderator system uses small spherical beads of a solid mixture of aromatic hydrocarbons (benzene derivatives) as the moderating material. Aromatic hydrocarbons are known as the most radiation-resistant hydrogenous substances and have properties to moderate slow neutrons effectively. Since the new moderator was put into routine operation in September 2013, the IBR-2 research reactor of the Frank Laboratory of Neutron Physics has consolidated its position among the world's leading pulsed neutron sources for investigation of matter with neutron scattering methods.

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

    NASA Astrophysics Data System (ADS)

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

    2004-03-01

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

  19. Fragility of complexity biophysical systems by neutron scattering

    NASA Astrophysics Data System (ADS)

    Magazù, Salvatore; Migliardo, Federica; Bellocco, Ersilia; Laganà, Giuseppina; Mondelli, Claudia

    2006-11-01

    Neutron scattering is an exceptional tool to investigate structural and dynamical properties of systems of biophysical interest, such as proteins, enzymes, lipids and sugars. Moreover, elastic neutron scattering enhances the investigation of atomic motions in hydrated proteins in a wide temperature range and on the picosecond timescale. Homologous disaccharides, such as trehalose, maltose and sucrose, are cryptobiotic substances, since they allow to many organisms to undergo in a “suspended life” state, known as cryptobiosis in extreme environmental conditions. The present paper is aimed to discuss the fragility degree of disaccharides, as evaluated of the temperature dependence of the mean square displacement by elastic neutron scattering, in order to link this feature with their bioprotective functions.

  20. Fractal properties of lysozyme: a neutron scattering study.

    PubMed

    Lushnikov, S G; Svanidze, A V; Gvasaliya, S N; Torok, G; Rosta, L; Sashin, I L

    2009-03-01

    The spatial structure and dynamics of hen egg white lysozyme have been investigated by small-angle and inelastic neutron scattering. Analysis of the results was carried using the fractal approach, which allowed determination of the fractal and fracton dimensions of lysozyme, i.e., consideration of the protein structure and dynamics by using a unified approach. Small-angle neutron scattering studies of thermal denaturation of lysozyme have revealed changes in the fractal dimension in the vicinity of the thermal denaturation temperature that reflect changes in the spatial organization of protein. PMID:19391977

  1. Monte-Carlo simulation of an ultra small-angle neutron scattering instrument based on Soller slits

    SciTech Connect

    Rieker, T.; Hubbard, P.

    1997-09-01

    Monte Carlo simulations are used to investigate an ultra small-angle neutron scattering instrument for use at a pulsed source based on a Soller slit collimator and analyzer. The simulations show that for a q{sub min} of {approximately}le-4 {angstrom}{sup -1} (15 {angstrom} neutrons) a few tenths of a percent of the incident flux is transmitted through both collimators at q=0.

  2. Benchmarking the inelastic neutron scattering soil carbon method

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  3. X-ray and Neutron Scattering of Water.

    PubMed

    Amann-Winkel, Katrin; Bellissent-Funel, Marie-Claire; Bove, Livia E; Loerting, Thomas; Nilsson, Anders; Paciaroni, Alessandro; Schlesinger, Daniel; Skinner, Lawrie

    2016-07-13

    This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermodynamic conditions and environments. In particular, the ability to measure X-ray and neutron diffraction of water with unprecedented high accuracy in an extended range of momentum transfers has allowed the derivation of detailed O-O pair correlation functions. A panorama of the diffusive dynamics of water in a wide range of temperatures (from 400 K down to supercooled water) and pressures (from ambient up to multiple gigapascals) is presented. The recent results obtained by quasi-elastic neutron scattering under high pressure are compared with the existing data from nuclear magnetic resonance, dielectric and infrared measurements, and modeling. A detailed description of the vibrational dynamics of water as measured by inelastic neutron scattering is presented. The dependence of the water vibrational density of states on temperature and pressure, and in the presence of biological molecules, is discussed. Results about the collective dynamics of water and its dispersion curves as measured by coherent inelastic neutron scattering and inelastic X-ray scattering in different thermodynamic conditions are reported. PMID:27195477

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  5. Modern Techniques for Inelastic Thermal Neutron Scattering Analysis

    NASA Astrophysics Data System (ADS)

    Hawari, A. I.

    2014-04-01

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

  6. Ultra Small-Angle Neutron Scattering Study of Porous Glass

    SciTech Connect

    Desai, Reshma R.; Desa, J. A. Erwin; Sen, D.; Mazumder, S.

    2011-07-15

    Compacts of silica micro-spheres prepared for different times at sintering temperatures of 640 deg. C and 740 deg. C have been studied by Ultra Small-Angle Neutron Scattering (USANS) and Scanning Electron Microscopy (SEM). Stress versus strain measurements display several breakage points related to a range of nearest neighbour coordination around each microsphere.

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

    PubMed

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

    2011-07-01

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

  8. Generalized diffusion equation and analytical expressions to neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Fa, Kwok Sau

    2014-12-01

    An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations. Analytical expressions related to neutron scattering experiments are presented and analyzed, which can be used to describe, for instance, biological systems.

  9. Small angle neutron scattering from nanometer grain sized materials

    SciTech Connect

    Epperson, J.E.; Siegel, R.W.

    1991-11-01

    Small angie neutron scattering has been utilized, along with a number of complementary characterization methods suitable to the nanometer size scale, to investigate the structures of cluster-assembled nanophase materials. Results of these investigations are described and problems and opportunities in using small angle scattering for elucidating nanostructures are discussed.

  10. Dialkylimidazolium chloroaluminates: Ab initio calculations, Raman and neutron scattering measurements

    SciTech Connect

    Takahasi, S. ); Curtiss, L.A.; Gosztola, D.; Koura, N. ); Loong, C.K.; Saboungi, M.L. . Materials Science Div.)

    1993-04-01

    The Raman and neutron scattering spectra of 46 mol% AlCl[sub 3] -54 mol% 1-ethyl-3-methyl imidazolium chloride (EMIC) and 67 mol% AlCl[sub 3] - 33 mol% EMIC melts are presented. Ab initio molecular orbital calculations have been carried out on structures of chloroaluminate anion and EMI cation and the interaction between anion and cation.

  11. Neutron scattering cross section measurements for thulium-169 via the time-of-flight technique

    NASA Astrophysics Data System (ADS)

    Alimeti, Afrim

    This research provides the first direct neutron scattering cross section measurements for 169Tm via the time-of-flight technique. The neutron elastic and inelastic scattering cross-section angular distributions for 169Tm were measured at 590-keV and 1000-keV incident neutron energies. Differential cross-section excitation functions were also measured in 0.1-MeV steps at 125° (scattering angle) from 495-keV to 1000-keV incident neutron energy. The measured neutron scattering cross sections for the elastic group at 0.5-MeV to 1.0-MeV incident neutron energy range are in reasonable agreement with the JENDL-4.0 evaluation, which is based on nuclear reaction model calculations, and with the earlier measurements made by Ko et al. via the (n, n' gamma) technique for states above 100 keV via the (n, n' gamma) reaction at incident energies in the 0.2-MeV to 1.0-MeV range. The 5.5-MeV Van de Graaff accelerator at Lowell was operated in the pulsed and bunched beam mode producing subnanosecond pulses at a 5-MHz repetition frequency to generate neutrons via the 7Li(p,n) 7Be reaction using a thin metallic elemental lithium target.

  12. Material classification by fast neutron scattering

    NASA Astrophysics Data System (ADS)

    Buffler, A.; Brooks, F. D.; Allie, M. S.; Bharuth-Ram, K.; Nchodu, M. R.

    2001-02-01

    The scattering of a beam of fast monoenergetic neutrons is used to determine elemental compositions of bulk samples (0.2-0.8 kg) of materials composed from one or more of the elements H, C, N, O, Al, S, Fe and Pb. Scattered neutrons are detected by liquid scintillators placed at forward and at backward angles. Different elements are identified by their characteristic scattering signatures derived either from a combination of time-of-flight and pulse height measurements, or from pulse height measurements alone. Scattering signatures measured for multi-element samples are analysed to determine atom fractions for H, C, N, O and other elements in the sample. Atom fractions determined from scattering signatures are insensitive to neutron interactions in material surrounding the scattering sample, provided the amount of material is not excessive. The atom fraction data are used to classify scattering material into categories including "explosives", "illicit drugs" and "other materials" for the purpose of contraband detection.

  13. A more informative approach for characterization of polymer monolithic phases: small angle neutron scattering/ultrasmall angle neutron scattering.

    PubMed

    Ford, Kathleen M; Konzman, Brian G; Rubinson, Judith F

    2011-12-15

    Neutron scattering techniques have been used frequently to characterize geological specimens and to determine the structures of glasses and of polymers as solutions, suspensions, or melts. Little work has been reported on their application in determining polymers' structural properties relevant to separations. Here, we present a comparison of characterization results from nitrogen porosimetry and from combined small angle neutron scattering (SANS) and ultrasmall angle neutron scattering (USANS) experiments. We show that SANS is extremely sensitive to the pore characteristics. Both approaches can provide information about porosity and pore characteristics, but the neutron scattering techniques provide additional information in the form of the surface characteristics of the pores and their length scales. Fits of the scattering data show that cylindrical pores are present with diameters down to 0.6 μm and that, for length scales down to approxmately 20 Å, the material shows self-similar (fractal) slopes of -3.4 to -3.6. Comparison of these characteristics with other examples from the scattering literature indicate that further investigation of their meaning for chromatographic media is required. PMID:22066706

  14. The SPARC linear accelerator based terahertz source

    SciTech Connect

    Chiadroni, E.; Bacci, A.; Bellaveglia, M.; Boscolo, M.; Castellano, M.; Cultrera, L.; Di Pirro, G.; Ferrario, M.; Ficcadenti, L.; Filippetto, D.; Gatti, G.; Pace, E.; Rossi, A. R.; Vaccarezza, C.; Catani, L.; Cianchi, A.; Marchetti, B.; Mostacci, A.; Palumbo, L.; Ronsivalle, C.; and others

    2013-03-04

    Ultra-short electron beams, produced through the velocity bunching compression technique, are used to drive the SPARC linear accelerator based source, which relies on the emission of coherent transition radiation in the terahertz range. This paper reports on the main features of this radiation, as terahertz source, with spectral coverage up to 5 THz and pulse duration down to 200 fs, with an energy per pulse of the order of several micro-joule, and as electron beam longitudinal diagnostics.

  15. Soller collimators for small angle neutron scattering

    SciTech Connect

    Crawford, R.K.; Epperson, J.E.; Thiyagarajan, P.

    1988-09-30

    Small angle diffractometers at pulsed sources need to have fairly short flight paths if they are to make use of the long-wavelength portion of the spectrum without encountering problems from frame overlap or sacrificing intensity with band-limiting or pulse-removing choppers. With such short flight paths, achieving the necessary angular collimation in the incident beam while utilizing the full source size (/approximately/10 cm diameter) and a reasonable sample size (/approximately/1 cm diameter) requires the use of converging multiple-aperture collimation. If the collimation channels are all focused to the same point on the detector then the large sample size will not affect Q/sub min/ or the Q-resolution, even if the sample-to-detector distance is short. The Small Angle Diffractometer (SAD) at IPNS uses crossed converging soller collimators to provide focusing multiple-aperture collimation having /approximately/400 converging beam channels with essentially no ''dead'' space between them. This entire collimator system occupies a distance of only /approximately/60 cm along the incident flight path, while providing angular collimation of 0.003 radians FWHM. The dimensions for the SAD upstream collimator are L/sub c/ = 32.8 cm, d/sub 1/ = 0.974 mm, d/sub 2/ = 0.851 mm, while for the SAD downstream collimator L/sub c/ = 25.0 cm, d/sub 1/ - 0.844 mm, d/sub 2/ = 0.750 mm. Each of these collimators has 20 blades defining 21 horizontal or vertical channels. 4 refs., 6 figs.

  16. Review of the Lujan neutron scattering center: basic energy sciences prereport February 2009

    SciTech Connect

    Hurd, Alan J; Rhyne, James J; Lewis, Paul S

    2009-01-01

    The Lujan Neutron Scattering Center (Lujan Center) at LANSCE is a designated National User Facility for neutron scattering and nuclear physics studies with pulsed beams of moderated neutrons (cold, thermal, and epithermal). As one of five experimental areas at the Los Alamos Neutron Science Center (LANSCE), the Lujan Center hosts engineers, scientists, and students from around the world. The Lujan Center consists of Experimental Room (ER) 1 (ERl) built by the Laboratory in 1977, ER2 built by the Office of Basic Energy Sciences (BES) in 1989, and the Office Building (622) also built by BES in 1989, along with a chem-bio lab, a shop, and other out-buildings. According to a 1996 Memorandum of Agreement (MOA) between the Defense Programs (DP) Office of the National Nuclear Security Agency (NNSA) and the Office of Science (SC, then the Office of Energy Research), the Lujan Center flight paths were transferred from DP to SC, including those in ERI. That MOA was updated in 2001. Under the MOA, NNSA-DP delivers neutron beam to the windows of the target crypt, outside of which BES becomes the 'landlord.' The leveraging nature of the Lujan Center on the LANSCE accelerator is a substantial annual leverage to the $11 M BES operating fund worth approximately $56 M operating cost of the linear accelerator (LINAC)-in beam delivery.

  17. Wavelength-independent constant period spin-echo modulated small angle neutron scattering.

    PubMed

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI. PMID:27370470

  18. Wavelength-independent constant period spin-echo modulated small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI.

  19. New generation of cryogen free advanced superconducting magnets for neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Kirichek, O.; Brown, J.; Adroja, D. T.; Manuel, P.; Kouzmenko, G.; Bewley, R. I.; Wotherspoon, R.

    2012-12-01

    Recent advances in superconducting technology and cryocooler refrigeration have resulted in a new generation of advanced superconducting magnets for neutron beam applications. These magnets have outstanding parameters such as high homogeneity and stability at highest magnetic fields possible, a reasonably small stray field, low neutron scattering background and larger exposure to neutron detectors. At the same time the pulse tube refrigeration technology provides a complete re-condensing regime which allows to minimise the requirements for cryogens without introducing additional noise and mechanical vibrations. The magnets can be used with dilution refrigerator insert which expands the temperature range from 20mK to 300K. Here we are going to present design, test results and the operational data of the 14T magnet for neutron diffraction and the 9T wide angle chopper magnet for neutron spectroscopy developed by Oxford Instruments in collaboration with ISIS neutron source. First scientific results obtained from the neutron scattering experiments with these magnets are also going to be discussed.

  20. Incoherent neutron scattering in acetanilide and three deuterated derivatives

    NASA Astrophysics Data System (ADS)

    Barthes, Mariette; Almairac, Robert; Sauvajol, Jean-Louis; Moret, Jacques; Currat, Roland; Dianoux, José

    1991-03-01

    Incoherent-neutron-scattering measurements of the vibrational density of states of acetanilide and three deuterated derivatives are presented. These data allow one to identify an intense maximum, assigned to the N-H out-of-plane bending mode. The data display the specific behavior of the methyl torsional modes: large isotopic shift and strong low-temperature intensity; confirm our previous inelastic-neutron-scattering studies, indicating no obvious anomalies in the range of frequency of the acoustic phonons. In addition, the data show the existence of thermally activated quasielastic scattering above 100 K, assigned to the random diffusive motion of the methyl protons. These results are discussed in the light of recent theoretical models proposed to explain the anomalous optical properties of this crystal.

  1. Accurate Development of Thermal Neutron Scattering Cross Section Libraries

    SciTech Connect

    Hawari, Ayman; Dunn, Michael

    2014-06-10

    The objective of this project is to develop a holistic (fundamental and accurate) approach for generating thermal neutron scattering cross section libraries for a collection of important enutron moderators and reflectors. The primary components of this approach are the physcial accuracy and completeness of the generated data libraries. Consequently, for the first time, thermal neutron scattering cross section data libraries will be generated that are based on accurate theoretical models, that are carefully benchmarked against experimental and computational data, and that contain complete covariance information that can be used in propagating the data uncertainties through the various components of the nuclear design and execution process. To achieve this objective, computational and experimental investigations will be performed on a carefully selected subset of materials that play a key role in all stages of the nuclear fuel cycle.

  2. A high temperature high pressure cell for quasielastic neutron scattering

    SciTech Connect

    Yang, F.; Meyer, A.; Kaplonski, J.; Unruh, T.; Mamontov, E.

    2011-08-15

    We present our recent development of a high temperature high pressure cell for neutron scattering. Combining a water cooled Nb1Zr pressure cell body with an internal heating furnace, the sample environment can reach temperatures of up to 1500 K at a pressure of up to 200 MPa at the sample position, with an available sample volume of about 700 mm{sup 3}. The cell material Nb1Zr is specifically chosen due to its reasonable mechanical strength at elevated temperatures and fairly small neutron absorption and incoherent scattering cross sections. With this design, an acceptable signal-to-noise ratio of about 10:1 can be achieved. This opens new possibilities for quasielastic neutron scattering studies on different types of neutron spectrometers under high temperature high pressure conditions, which is particularly interesting for geological research on, e.g., water dynamics in silicate melts.

  3. A compact neutron scatter camera for field deployment.

    PubMed

    Goldsmith, John E M; Gerling, Mark D; Brennan, James S

    2016-08-01

    We describe a very compact (0.9 m high, 0.4 m diameter, 40 kg) battery operable neutron scatter camera designed for field deployment. Unlike most other systems, the configuration of the sixteen liquid-scintillator detection cells are arranged to provide omnidirectional (4π) imaging with sensitivity comparable to a conventional two-plane system. Although designed primarily to operate as a neutron scatter camera for localizing energetic neutron sources, it also functions as a Compton camera for localizing gamma sources. In addition to describing the radionuclide source localization capabilities of this system, we demonstrate how it provides neutron spectra that can distinguish plutonium metal from plutonium oxide sources, in addition to the easier task of distinguishing AmBe from fission sources. PMID:27587113

  4. A high temperature high pressure cell for quasielastic neutron scattering.

    PubMed

    Yang, F; Kaplonski, J; Unruh, T; Mamontov, E; Meyer, A

    2011-08-01

    We present our recent development of a high temperature high pressure cell for neutron scattering. Combining a water cooled Nb1Zr pressure cell body with an internal heating furnace, the sample environment can reach temperatures of up to 1500 K at a pressure of up to 200 MPa at the sample position, with an available sample volume of about 700 mm(3). The cell material Nb1Zr is specifically chosen due to its reasonable mechanical strength at elevated temperatures and fairly small neutron absorption and incoherent scattering cross sections. With this design, an acceptable signal-to-noise ratio of about 10:1 can be achieved. This opens new possibilities for quasielastic neutron scattering studies on different types of neutron spectrometers under high temperature high pressure conditions, which is particularly interesting for geological research on, e.g., water dynamics in silicate melts. PMID:21895254

  5. SANS (small-angle neutron scattering) from polymers and colloids

    SciTech Connect

    Hayter, J.B.

    1987-01-01

    Small-angle neutron scattering (SANS) has been remarkably successful in providing detailed quantitative structural information on complex everyday materials, such as polymers and colloids, which are often of considerable industrial as well as academic interest. This paper reviews some recent SANS experiments on polymers and colloids, including ferrofluids, and discusses the use of these apparently complex systems as general physical models of the liquid or solid state.

  6. Quasielastic neutron scattering study of POSS ligand dynamics

    SciTech Connect

    Jalarvo, Niina H; Tyagi, Madhusudan; Crawford, Michael

    2015-01-01

    Polyoligosilsesquioxanes are molecules having cage-like structures composed of silicon and oxygen. These molecules can have a wide variety of functional ligands attached to them. Depending on the nature of the ligand, interesting properties and applications are found. In this work we present results from quasielastic neutron scattering measurements of four different POSS molecules that illustrate the presence of strong coupling between the ligand dynamics and the POSS crystal structures.

  7. Small-angle neutron scattering from micellar solutions

    NASA Astrophysics Data System (ADS)

    Aswal, V. K.; Goyal, P. S.

    2004-07-01

    Micellar solutions are the suspension of the colloidal aggregates of the sur- factant molecules in aqueous solutions. The structure (shape and size) and the interaction of these aggregates, referred to as micelles, depend on the molecular architecture of the surfactant molecule, presence of additives and the solution conditions such as tempera- ture, concentration etc. This paper gives the usefulness of small-angle neutron scattering to the study of micellar solutions with some of our recent results.

  8. Accelerator-based BNCT.

    PubMed

    Kreiner, A J; Baldo, M; Bergueiro, J R; Cartelli, D; Castell, W; Thatar Vento, V; Gomez Asoia, J; Mercuri, D; Padulo, J; Suarez Sandin, J C; Erhardt, J; Kesque, J M; Valda, A A; Debray, M E; Somacal, H R; Igarzabal, M; Minsky, D M; Herrera, M S; Capoulat, M E; Gonzalez, S J; del Grosso, M F; Gagetti, L; Suarez Anzorena, M; Gun, M; Carranza, O

    2014-06-01

    The activity in accelerator development for accelerator-based BNCT (AB-BNCT) both worldwide and in Argentina is described. Projects in Russia, UK, Italy, Japan, Israel, and Argentina to develop AB-BNCT around different types of accelerators are briefly presented. In particular, the present status and recent progress of the Argentine project will be reviewed. The topics will cover: intense ion sources, accelerator tubes, transport of intense beams, beam diagnostics, the (9)Be(d,n) reaction as a possible neutron source, Beam Shaping Assemblies (BSA), a treatment room, and treatment planning in realistic cases. PMID:24365468

  9. Polarised neutron scattering from dynamic polarised targets in biology

    NASA Astrophysics Data System (ADS)

    Knop, W.; Hirai, M.; Olah, G.; Meerwinck, W.; Schink, H.-J.; Stuhrman, H. B.; Wagner, R.; Wenkow-EsSouni, M.; Zhao, J.; Schärpf, O.; Crichton, R. R.; Krumpolc, M.; Nierhaus, K. H.; Niinikoski, T. O.; Rijllart, A.

    1991-10-01

    The contrast giving rise to neutron small-angle scattering can be enhanced considerably by polarisation of the hydrogen nuclei [J. des Coizeaux and G. Jannink, Les Polymères en Solution, Les Editions de Physique, F-91944 Les Ulis, France (1987)]. Using polarised neutrons the scattering from protonated labels in a deuterated matrix will increase by an order of magnitude. This is the basis of nuclear spin contrast variation, a method which is of particular interest for the in situ structure determination of macromolecular components. A new polarised target for neutron scattering has been designed by CERN and tested successfully at FRG-1 of the GKSS research centre. For the purpose of thermal-neutron scattering the frozen solutions of biomolecules are immersed in liquid helium 4, which is thermally coupled to the cooling mixture of helium 3/helium 4 of the dilution refrigerator. The nuclear spins are aligned with respect to the external magnetic field-parallel or antiparallel-by dynamic nuclear polarisation (DNP). The gain in neutron scattering compared to earlier experiments using direct cooling of the sample by helium 3 is a factor of 30. Another factor of 30 arises from the installation of the cold source and the beryllium reflector in FRG-1 [W. Knop et al., J. Appl. Cryst. 22 (1989) 352]. Pure nuclear spin targets are produced from dynamic polarised targets by selective depolarisation. In biological material only the hydrogen isotopes contribute significantly to polarised neutron scattering. Thus, saturation of the proton NMR yields a deuteron target, provided the target material has been enriched by the latter isotope. A proton target is obtained from the dynamic polarised target by saturation of deuteron NMR. This leads to six additional scattering functions reflecting the proton and deuteron spin densities and the correlations between the polarised isotopes. Polarised neutron scattering from nuclear spin targets of apoferritin and various derivatives of the

  10. Neutron scattering facility for the calibration of the response to nuclear recoils

    NASA Astrophysics Data System (ADS)

    Jochum, J.; Chambon, B.; Drain, D.; von Feilitzsch, F.; Gascon, J.; Huber, M.; Jagemann, T.; de Jésus, M.; Lachenmaier, T.; Lanfranchi, J.-C.; Martineau, O.; Potzel, W.; Rüdig, A.; Schnagl, J.; Simon, E.; Stark, M.; Stern, M.; Wulandari, H.

    2002-02-01

    A possibility to search for elementary particles as dark matter candidates is to detect elastic scattering with cryogenic detectors. For the interpretation of the data one has to determine the detector response to nuclear recoils, the so-called quenching factors. They can differ for the heat-, for the scintillation- and for the ionization-signal and can be measured by scattering of neutrons. The CRESST- and the EDELWEISS-collaborations have set up a neutron scattering facility for cryogenic detectors at the tandem-accelerator of the Munich `Maier-Leibniz-Labor.' The scattering angle and the time-of-flight of the neutrons are measured by an array of liquid scintillator cells. The pulsed high energy (11 MeV) neutron beam is created by nuclear reaction of a 11B on a H2-gas target. The set-up and the results of first tests are presented. .

  11. Fractal Approach in Petrology: Combining Ultra-Small Angle (USANA) and Small Angle Neutron Scattering (SANS)

    SciTech Connect

    LoCelso, F.; Triolo, F.; Triolo, A.; Lin, J.S.; Lucido, G.; Triolo, R.

    1999-10-14

    Ultra small angle neutron scattering instruments have recently covered the gap between the size resolution available with conventional intermediate angle neutron scattering and small angle neutron scattering instruments on one side and optical microscopy on the other side. Rocks showing fractal behavior in over two decades of momentum transfer and seven orders of magnitude of intensity are examined and fractal parameters are extracted from the combined USANS and SANS curves.

  12. Quantifying the information measured by neutron scattering instruments

    SciTech Connect

    Johnson, M.W.

    1997-09-01

    The concept of the information content of a scientific measurement is introduced, and a theory is presented which enables the information that may be obtained by a neutron scattering instrument to be calculated. When combined with the time taken to perform the measurement the bandwidth of the instrument is obtained. This bandwidth is effectively a figure of merit which is of use in three respects: in the design of neutron instrumentation, the optimisation of measurements, and in the comparison of one instrument with another.

  13. Solid phases of spatially nanoconfined oxygen: A neutron scattering study

    SciTech Connect

    Kojda, Danny; Wallacher, Dirk; Hofmann, Tommy; Baudoin, Simon; Hansen, Thomas; Huber, Patrick

    2014-01-14

    We present a comprehensive neutron scattering study on solid oxygen spatially confined in 12 nm wide alumina nanochannels. Elastic scattering experiments reveal a structural phase sequence known from bulk oxygen. With decreasing temperature cubic γ-, orthorhombic β- and monoclinic α-phases are unambiguously identified in confinement. Weak antiferromagnetic ordering is observed in the confined monoclinic α-phase. Rocking scans reveal that oxygen nanocrystals inside the tubular channels do not form an isotropic powder. Rather, they exhibit preferred orientations depending on thermal history and the very mechanisms, which guide the structural transitions.

  14. Solid phases of spatially nanoconfined oxygen: a neutron scattering study.

    PubMed

    Kojda, Danny; Wallacher, Dirk; Baudoin, Simon; Hansen, Thomas; Huber, Patrick; Hofmann, Tommy

    2014-01-14

    We present a comprehensive neutron scattering study on solid oxygen spatially confined in 12 nm wide alumina nanochannels. Elastic scattering experiments reveal a structural phase sequence known from bulk oxygen. With decreasing temperature cubic γ-, orthorhombic β- and monoclinic α-phases are unambiguously identified in confinement. Weak antiferromagnetic ordering is observed in the confined monoclinic α-phase. Rocking scans reveal that oxygen nanocrystals inside the tubular channels do not form an isotropic powder. Rather, they exhibit preferred orientations depending on thermal history and the very mechanisms, which guide the structural transitions. PMID:24437900

  15. Thermal Denaturation of DNA Studied with Neutron Scattering

    SciTech Connect

    Wildes, Andrew; Theodorakopoulos, Nikos; Valle-Orero, Jessica; Cuesta-Lopez, Santiago; Peyrard, Michel; Garden, Jean-Luc

    2011-01-28

    The melting transition of DNA, whereby the strands of the double-helix structure completely separate at a certain temperature, has been characterized using neutron scattering. A Bragg peak from B-form fiber DNA has been measured as a function of temperature, and its widths and integrated intensities have been interpreted using the Peyrard-Bishop-Dauxois model with only one free parameter. The experiment is unique, as it gives spatial correlation along the molecule through the melting transition where other techniques cannot.

  16. Contrast variation in spin-echo small angle neutron scattering

    SciTech Connect

    Chen, Wei-Ren; Herwig, Kenneth W; Li, Xin; Liu, Emily; Liu, Yun; Pynn, Roger; Robertson, J. L.; Shew, Chwen-Yang; Smith, Gregory Scott; Wu, Bin

    2012-01-01

    The principle of using contrast variation spin-echo small angle neutron scattering (SESANS) technique for colloidal structural investigation is discussed. Based on the calculations of several model systems, we find that the contrast variation SESANS technique is not sensitive in detecting the structural characteristics of colloidal suspensions consisting of particles with uniform scattering length density profiles. However, its capability of resolving the structural heterogeneity, at both intra- and inter-colloidal length scales, is clearly demonstrated. The prospect of using this new technique to investigate the structural information that is difficult to be probed by other ways is also explored.

  17. Quasi-elastic neutron scattering studies of protein dynamics

    SciTech Connect

    Rorschach, H.E.

    1993-05-25

    Results that shed new light on the study of protein dynamics were obtained by quasi-elastic neutron scattering. The triple axis instrument H-9 supplied by the cold source was used to perform a detailed study of the quasi-elastic spectrum and the Debye-Waller factor for trypsin in powder form, in solution, and in crystals. A preliminary study of myoglobin crystals was also done. A new way to view the results of quasi-elastic scattering experiments is sketched, and the data on trypsin are presented and analyze according to this new picture.

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

    NASA Astrophysics Data System (ADS)

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

    1999-05-01

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

  19. 2010 American Conference on Neutron Scattering (ACNS 2010)

    SciTech Connect

    Billinge, Simon

    2011-06-17

    The ACNS provides a focal point for the national neutron user community to strengthen ties within this diverse group, while at the same time promoting neutron research among colleagues in related disciplines identified as “would-be” neutron users. The American Conference on Neutron Scattering thus serves a dual role as a national user meeting and a scientific meeting. As a venue for scientific exchange, the ACNS showcases recent results and provides forums for scientific discussion of neutron research in diverse fields such as hard and soft condensed matter, liquids, biology, magnetism, engineering materials, chemical spectroscopy, crystal structure, and elementary excitations, fundamental physics and development of neutron instrumentation through a combination of invited talks, contributed talks and poster sessions. As a “super-user” meeting, the ACNS fulfills the main objectives of users' meetings previously held periodically at individual national neutron facilities, with the advantage of a larger and more diverse audience. To this end, each of the major national neutron facilities (NIST, LANSCE, HFIR and SNS) have an opportunity to exchange information and update users, and potential users, of their facility. This is also an appropriate forum for users to raise issues that relate to the facilities. For many of the national facilities, this super-user meeting should obviate the need for separate user meetings that tax the time, energy and budgets of facility staff and the users alike, at least in years when the ACNS is held. We rely upon strong participation from the national facilities. The NSSA intends that the American Conference on Neutron Scattering (ACNS) will occur approximately every two years, but not in years that coincide with the International or European Conferences on Neutron Scattering. The ACNS is to be held in association with one of the national neutron centers in a rotating sequence, with the host facility providing local organization

  20. Fast-neutron scattering cross sections of elemental zirconium

    SciTech Connect

    Smith, A.B.; Guenther, P.T.

    1982-12-01

    Differential neturon-elastic-scattering cross sections of elemental zirconium are measured from 1.5 to 4.0 MeV at intervals of less than or equal to 200 keV. Inelastic-neutron-scattering cross sections corresponding to the excitation of levels at observed energies of: 914 +- 25, 1476 +- 37, 1787 +- 23, 2101 +- 26, 2221 +- 17, 2363 +- 14, 2791 +- 15 and 3101 +- 25 keV are determined. The experimental results are interpreted in terms of the optical-statistical model and are compared with corresponding quantities given in ENDF/B-V.

  1. Event-Based Processing of Neutron Scattering Data

    SciTech Connect

    Peterson, Peter F.; Campbell, Stuart I.; Reuter, Michael A.; Taylor, Russell J.; Zikovsky, Janik L.

    2015-09-16

    Many of the world's time-of-flight spallation neutrons sources are migrating to the recording of individual neutron events. This provides for new opportunities in data processing, the least of which is to filter the events based on correlating them with logs of sample environment and other ancillary equipment. This paper will describe techniques for processing neutron scattering data acquired in event mode that preserve event information all the way to a final spectrum, including any necessary corrections or normalizations. This results in smaller final errors, while significantly reducing processing time and memory requirements in typical experiments. Results with traditional histogramming techniques will be shown for comparison.

  2. Proton dynamics in bacterial spores, a neutron scattering investigation

    NASA Astrophysics Data System (ADS)

    Colas de la Noue, Alexandre; Peters, Judith; Gervais, Patrick; Martinez, Nicolas; Perrier-Cornet, Jean-Marie; Natali, Francesca

    2015-01-01

    Results from first neutron scattering experiments on bacterial spores are reported. The elastic intensities and mean square displacements have a non-linear behaviour as function of temperature, which is in agreement with a model presenting more pronounced variations at around 330 K (57 ∘C) and 400 K (127 ∘C). Based on the available literature on thermal properties of bacterial spores, mainly referring to differential scanning calorimetry, they are suggested to be associated to main endothermic transitions induced by coat and/or core bacterial response to heat treatment.

  3. Studies of 54,56Fe Neutron Scattering Cross Sections

    NASA Astrophysics Data System (ADS)

    Hicks, S. F.; Vanhoy, J. R.; French, A. J.; Henderson, S. L.; Howard, T. J.; Pecha, R. L.; Santonil, Z. C.; Crider, B. P.; Liu, S.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Ross, T. J.; Yates, S. W.

    2015-05-01

    Elastic and inelastic neutron scattering differential cross sections and γ-ray production cross sections have been measured on 54,56Fe at several incident energies in the fast neutron region between 1.5 and 4.7 MeV. All measurements were completed at the University of Kentucky Accelerator Laboratory (UKAL) using a 7-MV Model CN Van de Graaff accelerator, along with the neutron production and neutron and γ-ray detection systems located there. The facilities at UKAL allow the investigation of both elastic and inelastic scattering with nearly mono-energetic incident neutrons. Time-of-flight techniques were used to detect the scattered neutrons for the differential cross section measurements. The measured cross sections are important for fission reactor applications and also for testing global model calculations such as those found at ENDF, since describing both the elastic and inelastic scattering is important for determining the direct and compound components of the scattering mechanism. The γ-ray production cross sections are used to determine cross sections to unresolved levels in the neutron scattering experiments. Results from our measurements and comparisons to model calculations are presented.

  4. Rhodopsin Photoactivation Dynamics Revealed by Quasi-Elastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Bhowmik, Debsindhu; Shrestha, Utsab; Perera, Suchhithranga M. C. D.; Chawla, Udeep; Mamontov, Eugene; Brown, Michael; Chu, Xiang-Qiang

    2015-03-01

    Rhodopsin is a G-protein-coupled receptor (GPCR) responsible for vision. During photoactivation, the chromophore retinal dissociates from protein yielding the opsin apoprotein. What are the changes in protein dynamics that occur during the photoactivation process? Here, we studied the microscopic dynamics of dark-state rhodopsin and the ligand-free opsin using quasielastic neutron scattering (QENS). The QENS technique tracks individual hydrogen atom motion because of the much higher neutron scattering cross-section of hydrogen than other atoms. We used protein with CHAPS detergent hydrated with heavy water. The activation of proteins is confirmed at low temperatures up to 300 K by mean-square displacement (MSD) analysis. The QENS experiments at temperatures ranging from 220 K to 300 K clearly indicate an increase in protein dynamic behavior with temperature. The relaxation time for the ligand-bound protein rhodopsin is faster compared to opsin, which can be correlated with the photoactivation. Moreover, the protein dynamics are orders of magnitude slower than the accompanying CHAPS detergent, which unlike protein, manifests localized motions.

  5. Neutron scattering from the Kondo Insulator SmB6

    NASA Astrophysics Data System (ADS)

    Broholm, Collin

    A review of neutron scattering work probing the Kondo insulator SmB6 is presented with special emphasis on assessing the topology of the underlying strongly renormalized band structure. A 14 meV excition dominates the spectrum and is evidence of strong electron correlations [1]. Though the data generally supports the proposal that SmB6 is a topological Kondo insulator, specific heat and high-resolution neutron scattering data show a continuum of states well below the bulk transport gap, which enrich the problem and may connect to the recent surprising de Haas van Alpen results. ``Interaction Driven Subgap Spin Exciton in the Kondo Insulator SmB6,'' W. T. Fuhrman, J. Leiner, P. Nikolic, G. E. Granroth, M. B. Stone, M. D. Lumsden, L. DeBeer-Schmitt, P. A. Alekseev, J.-M. Mignot, S. M. Koohpayeh, P. Cottingham, W. Adam Phelan, L. Schoop, T. M. McQueen, and C. Broholm, Phys. Rev. Lett. 114, 036401 (2015). Supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Material Sciences and Engineering, under Grant No. DEFG02-08ER46544 and the Gordon and Betty Moore Foundation.

  6. Elastic Neutron Scattering at 96 MeV

    SciTech Connect

    Hildebrand, A.; Blomgren, J.; Atac, A.; Bergenwall, B.; Johansson, C.; Klug, J.; Mermod, P.; Nilsson, L.; Pomp, S.; Esterlund, M.; Dangtip, S.; Tippawan, U.; Phansuke, P.; Jonsson, O.; Renberg, P.-U.; Prokofiev, A.; Nadel-Turonski, P.; Elmgren, K.; Olsson, N.; Blideanu, V.

    2005-05-24

    A facility for detection of scattered neutrons in the energy interval 50-130 MeV, SCANDAL (SCAttered Nucleon Detection AssembLy), has recently been installed at the 20 - 180-MeV neutron beam line of The Svedberg Laboratory, Uppsala. Elastic neutron scattering from 12C, 16O, 56Fe, 89Y, and 208Pb has been studied at 96 MeV in the 10-70 deg. interval. The results from 12C and 208Pb have recently been published,6 while the data from 16O, 56Fe, and 89Y are under analysis. The achieved energy resolution, 3.7 MeV, is about an order of magnitude better than for any previous experiment above 65 MeV incident energy. The present experiment represents the highest neutron energy where the ground state has been resolved from the first excited state in neutron scattering. A novel method for normalization of the absolute scale of the cross section has been used. The estimated normalization uncertainty, 3%, is unprecedented for a neutron-induced differential cross section measurement on a nuclear target. The results are compared with modern optical model predictions, based on phenomenology or microscopic theory. Applications for these measurements are nuclear-waste incineration, single-event upsets in electronics, and fast-neutron therapy.

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

    SciTech Connect

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

    2013-01-01

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

  8. Inelastic neutron scattering studies of novel quantum magnets

    NASA Astrophysics Data System (ADS)

    Plumb, Kemp W.

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

  9. Neutron scattering studies in the actinide region. Progress report, August 1, 1992--July 31, 1993

    SciTech Connect

    Kegel, G.H.R.; Egan, J.J.

    1993-09-01

    This report discusses the following topics: Prompt fission neutron energy spectra for {sup 235}U and {sup 239}Pu; Two-parameter measurement of nuclear lifetimes; ``Black`` neutron detector; Data reduction techniques for neutron scattering experiments; Inelastic neutron scattering studies in {sup 197}Au; Elastic and inelastic scattering studies in {sup 239}Pu; and neutron induced defects in silicon dioxide MOS structures.

  10. The Manuel Lujan Jr. Neutron Scattering Center (LANSCE) experiment reports 1993 run cycle. Progress report

    SciTech Connect

    Farrer, R.; Longshore, A.

    1995-06-01

    This year the Manuel Lujan Jr. Neutron Scattering Center (LANSCE) ran an informal user program because the US Department of Energy planned to close LANSCE in FY1994. As a result, an advisory committee recommended that LANSCE scientists and their collaborators complete work in progress. At LANSCE, neutrons are produced by spallation when a pulsed, 800-MeV proton beam impinges on a tungsten target. The proton pulses are provided by the Clinton P. Anderson Meson Physics Facility (LAMPF) accelerator and a associated Proton Storage Ring (PSR), which can Iter the intensity, time structure, and repetition rate of the pulses. The LAMPF protons of Line D are shared between the LANSCE target and the Weapons Neutron Research (WNR) facility, which results in LANSCE spectrometers being available to external users for unclassified research about 80% of each annual LAMPF run cycle. Measurements of interest to the Los Alamos National Laboratory (LANL) may also be performed and may occupy up to an additional 20% of the available beam time. These experiments are reviewed by an internal program advisory committee. This year, a total of 127 proposals were submitted. The proposed experiments involved 229 scientists, 57 of whom visited LANSCE to participate in measurements. In addition, 3 (nuclear physics) participating research teams, comprising 44 scientists, carried out experiments at LANSCE. Instrument beam time was again oversubscribed, with 552 total days requested an 473 available for allocation.

  11. Neutron scattering studies on chromatin higher-order structure

    SciTech Connect

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V.

    1994-12-31

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist.

  12. Neutron scattering analysis with microscopic optical model potentials

    SciTech Connect

    Hansen, L.F.

    1991-09-03

    A review of microscopic optical model potentials used in the analysis of neutron scattering and analyzing power data below 100 MeV (5 {le}E{sub n}{le}100 MeV) is presented. The quality of the fits to the data over a wide massd ({sup 6}Li-{sup 239}Pu) and energy range is discussed. It is shown that reasonably good agreement with the data is obtained with only three parameters, {lambda}{sub V}, {lambda}{sub W}, and {lambda}{sub SO}, which show a smooth mass and energy dependence. These parameters are normalizing constants to the real (V), and imaginary (W) central potentials and the real spin-orbit (V{sub SO}) potential. 14 refs., 7 figs.

  13. The MCLIB library: Monte Carlo simulation of neutron scattering instruments

    SciTech Connect

    Seeger, P.A.

    1995-09-01

    Monte Carlo is a method to integrate over a large number of variables. Random numbers are used to select a value for each variable, and the integrand is evaluated. The process is repeated a large number of times and the resulting values are averaged. For a neutron transport problem, first select a neutron from the source distribution, and project it through the instrument using either deterministic or probabilistic algorithms to describe its interaction whenever it hits something, and then (if it hits the detector) tally it in a histogram representing where and when it was detected. This is intended to simulate the process of running an actual experiment (but it is much slower). This report describes the philosophy and structure of MCLIB, a Fortran library of Monte Carlo subroutines which has been developed for design of neutron scattering instruments. A pair of programs (LQDGEOM and MC{_}RUN) which use the library are shown as an example.

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

    NASA Astrophysics Data System (ADS)

    Prem, Manfred; Krexner, Gerhard; Peterlik, Herwig

    2006-11-01

    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 °C and a final heat treatment at either 1800 or 2400 °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.

  15. Radiation damage study using small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Rétfalvi, E.; Török, Gy; Rosta, L.

    2000-03-01

    Nuclear radiation provides important changes in the microstructure of metallic components of nuclear power plant and research reactors, influencing their mechanical properties. The investigation of this problem has primary interest for the safety and life-time of such nuclear installations. For the characterization of this kind of nanostructures small angle neutron scattering technique is a very useful tool. We have carried out experiments on samples of irradiated reactor vessel material and welded components of VVER-440-type reactors on the SANS instrument at the Budapest Research Reactor. In our measurements irradiated as well as non-irradiated samples were compared and magnetic field was applied for viewing the magnetic structure effects of the materials. A clear modification of the structure due to irradiation was obtained. Our data were analyzed by the ITP92 code, the inverse Fourier transform program of O. Glatter [1].

  16. Quasielastic neutron scattering study of water confined in carbon nanopores

    SciTech Connect

    Chathoth, S. M.; Mamontov, E.; Kolesnikov, A. I.; Gogotsi, Y.; Wesolowski, D. J.

    2011-07-26

    Microscopic dynamics of water confined in nanometer and sub-nanometer pores of carbide-derived carbon (CDC) were investigated using quasielastic neutron scattering (QENS). The temperature dependence of the average relaxation time, ‹τ›, exhibits super-Arrhenius behavior that could be described by Vogel-Fulcher-Tammann (VFT) law in the range from 250 K to 190 K; below this temperature, ‹τ› follows Arrhenius temperature dependence. The temperature of the dynamic crossover between the two regimes in water confined in the CDC pores is similar to that observed for water in hydrophobic confinement of the larger size, such as 14 Å ordered mesoporous carbon (CMK) and 16 Å double-wall carbon nanotubes. Thus, the dynamical behavior of water remains qualitatively unchanged even in the very small hydrophobic pores.

  17. High-pressure neutron scattering of Prussian blue analogue magnets

    NASA Astrophysics Data System (ADS)

    Pajerowski, Daniel

    Pressure sensitive magnetism is known to be useful in sensors, and while applications tend to use metallic alloys, molecule based magnets (MBMs) have been shown to have large inverse magnetostrictive (IMS) response. A promising group of MBMs are the Prussian blue analogues (PBAs), in which magnetic ordering can be tuned by external stimuli such as light, electric field, and pressure. Previously, high pressure neutron scattering of nickel hexacyanochromate hydrate has shown direct evidence for isomerization of the cyanide linkage with applied pressure. Other probes have suggested a similar effect in iron hexacyanochromate hydrate, although there has yet to be direct crystallographic evidence. Neutron diffraction is sensitive to organic elements, even while in the presence of metals, and we have performed experiments above 1 GPa to look for linkage isomerism in iron hexacyanochromate. These results are supported by bulk probes and calculations.

  18. Quasielastic neutron scattering study of water confined in carbon nanopores

    SciTech Connect

    Mavila Chathoth, Suresh; Mamontov, Eugene; Kolesnikov, Alexander I; Gogotsi, Yury G.; Wesolowski, David J

    2011-01-01

    Microscopic dynamics of water confined in nanometer and sub-nanometer pores of carbide-derived carbon (CDC) were investigated using quasielastic neutron scattering (QENS). The temperature dependence of the average relaxation time, {tau}, exhibits super-Arrhenius behavior that could be described by Vogel-Fulcher-Tammann (VFT) law in the range from 250 K to 190 K; below this temperature, {tau} follows Arrhenius temperature dependence. The temperature of the dynamic crossover between the two regimes in water confined in the CDC pores is similar to that observed for water in hydrophobic confinement of the larger size, such as 14 {angstrom} ordered mesoporous carbon (CMK) and 16 {angstrom} double-wall carbon nanotubes. Thus, the dynamical behavior of water remains qualitatively unchanged even in the very small hydrophobic pores.

  19. The role of neutron scattering in molecular and cellular biology

    NASA Astrophysics Data System (ADS)

    Worcester, D. L.

    1982-09-01

    Neutron scattering measurements of biological macromolecules and materials have provided answers to numerous questions about molecular assemblies and arrangements. Studies of ribosomes, viruses, membranes, and other biological structures are reviewed, with emphasis on the importance of both deuterium labelling and contrast variation with H2O/D2O exchange. Although many studies of biological molecules have been made using contrast variation alone, it is the deuterium labelling experiments that have provided the most precise information and answers to major biological questions. This is largely the result of the low resolution of scattering data and the consequent rapid increase of information content that specific deuterium labelling provides. Procedures for specific deuterium labelling `in vivo' are described for recent work on myelin membranes together with basic aspects of such labelling useful for future research.

  20. Event-Based Processing of Neutron Scattering Data

    DOE PAGESBeta

    Peterson, Peter F.; Campbell, Stuart I.; Reuter, Michael A.; Taylor, Russell J.; Zikovsky, Janik L.

    2015-09-16

    Many of the world's time-of-flight spallation neutrons sources are migrating to the recording of individual neutron events. This provides for new opportunities in data processing, the least of which is to filter the events based on correlating them with logs of sample environment and other ancillary equipment. This paper will describe techniques for processing neutron scattering data acquired in event mode that preserve event information all the way to a final spectrum, including any necessary corrections or normalizations. This results in smaller final errors, while significantly reducing processing time and memory requirements in typical experiments. Results with traditional histogramming techniquesmore » will be shown for comparison.« less

  1. Asymptotic neutron scattering laws for anomalously diffusing quantum particles

    NASA Astrophysics Data System (ADS)

    Kneller, Gerald R.

    2016-07-01

    The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝tα, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.

  2. Asymptotic neutron scattering laws for anomalously diffusing quantum particles.

    PubMed

    Kneller, Gerald R

    2016-07-28

    The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t(α), with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers. PMID:27475344

  3. The use of neutron scattering in nuclear weapons research

    SciTech Connect

    Juzaitis, R.J.

    1995-10-01

    We had a weapons science breakout session last week. Although it would have been better to hold it closer in time to this workshop, I think that it was very valuable. it may have been less of a {open_quotes}short-sleeve{close_quotes} workshop environment than we would have liked, but as the first time two communities-the weapons community and the neutron scattering community- got together, it was a wonderful opportunity to transfer information during the 24 presentations that were made. This report contains discussions on the fundamental analysis of documentation of the enduring stockpile; LANSCE`s contribution to weapons; spallation is critical to understanding; weapons safety assessments; applied nuclear physics requires cross section information; fission models need refinement; and establishing teams on collaborative projects.

  4. Neutron scatter studies of chromatin structures related to functions

    SciTech Connect

    Bradbury, E.M.

    1992-01-01

    Despite of setbacks in the lack of neutrons for the proposed We have made considerable progress in chromatin reconstitution with the VLR histone H1/H5 and in understanding the dynamics of nucleosomes. A ferromagnetic fluid was developed to align biological molecules for structural studies using small-angle-neutron-scattering. We have also identified and characterized an intrinsically bent DNA region flanking the RNA polymerase I binding site of the ribosomal RNA gene in Physarum Polycephalum. Finally projects in progress are in the areas of studying the interatctions of histone H4 amino-terminus peptide 1-23 and acetylated 1-23 peptide with DNA using thermal denaturation; study of GGAAT repeats found in human centromeres using high resolution Nuclear magnetic Resonance and nuclease sentivity assay; and the role of histones and other sperm specific proteins with sperm chromatin.

  5. Neutron scatter studies of chromatin structures related to functions

    SciTech Connect

    Bradbury, E.M.

    1992-01-01

    We have made considerable progress in chromatin reconstitution with very lysine rich histone H1/H5 and in understanding the dynamics of nucleosomes. A ferromagnetic fluid was developed to align biological molecules for structural studies using small-angle-neutron-scattering. We have also identified and characterized in intrinsically bent DNA region flaking the RNA polymerase I binding site of the ribosomal RNA gene in Physarum Polycephalum. Finally projects in progress are in the areas of studying the interactions of histone H4 amino-terminus peptide 1-23 and acetylated 1-23 peptide with DNA using thermal denaturation; study of GGAAT repeats found in human centromeres using high resolution Nuclear Magnetic Resonance and nuclease sentivity assay; and the role of histones and other sperm specific proteins with sperm chromatin.

  6. Nonspecular neutron scattering from highly aligned phospholipid membranes

    NASA Astrophysics Data System (ADS)

    Münster, C.; Salditt, T.; Vogel, M.; Siebrecht, R.; Peisl, J.

    1999-05-01

    We report a neutron scattering study of multilamellar membranes supported on solid substrates. In contrast to previous work, the high degree of orientational alignment allows for a clear distinction between specular and nonspecular reflectivity contributions. In particular, we demonstrate that by using the specific advantages of neutron optics the nonspecular scattering can be mapped over a wide range of reciprocal space. Several orders of magnitude in scattering signal and parallel momentum transfer can easily be recorded in multilamellar stacks of lipid membranes. This opens up the possibility to study fluctuations, and more generally lateral structure parameters of membrane on length scales between a few Å up to several μm. The first results obtained for a system of partially hydrated 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine (DMPC) indicate strong deviations from the predictions of the standard Caillé model.

  7. Small angle neutron scattering from high impact polystyrene

    SciTech Connect

    Pringle, O.A.

    1981-01-01

    High impact polystyrene (HIPS) is a toughened plastic composed of a polystyrene matrix containing a few percent rubber in the form of dispersed 0.1 to 10 micron diameter rubber particles. Some commercial formulations of HIPS include the addition of a few percent mineral oil, which improves the toughness of the plastic. Little is known about the mechanism by which the mineral oil helps toughen the plastic. It is hypothesized that the oil is distributed only in the rubber particles, but whether this hypothesis is correct was not known prior to this work. The size of the rubber particles in HIPS and their neutron scattering length density contrast with the polystyrene matrix cause HIPS samples to scatter neutrons at small angles. The variation of this small angle neutron scattering (SANS) signal with mineral oil content has been used to determine the location of the oil in HIPS. The SANS spectrometer at the University of Missouri Research Reactor Facility (MURR) was used to study plastic samples similar in composition to commercial HIPS. The MURR SANS spectrometer is used to study the small angle scattering of a vertical beam of 4.75 A neutrons from solid and liquid samples. The scattered neutrons are detected in a 54 x 60 cm/sup 2/ position sensitive detector designed and built at MURR. A series of plastic samples of varying rubber and oil content and different rubber domain sizes and shapes were examined on the MURR SANS spectrometer. Analysis of the scattering patterns showed that the mineral oil is about eight to ten times more likely to be found in the rubber particles than in the polystyrene matrix. This result confirmed the hypothesis that the mineral oil is distributed primarily in the rubber particles.

  8. Neutron Scattering Cross Section Measurements for 169Tm via the (n,n') Technique

    SciTech Connect

    Alimeti, Afrim; Kegel, Gunter H.R.; Egan, James J.; DeSimone, David J.; McKittrick, Thomas M.; Ji, Chuncheng; Tremblay, Steven E.; Roldan, Carlos; Chen Xudong; Kim, Don S.

    2005-05-24

    The neutron physics group at the University of Massachusetts Lowell (UML) has been involved in a program of scattering cross-section measurements for highly deformed nuclei such as 159Tb, 169Tm, 232Th, 235U, 238U, and 239Pu. Ko et al. have reported neutron inelastic scattering data from 169Tm for states above 100 keV via the (n,n'{gamma}) reaction at incident energies in the 0.2 MeV to 1.0 MeV range. In the present research, in which the time-of-flight method was employed, direct (n,n') measurements of neutrons scattered from 169Tm in the 0.2 to 1.0 MeV range were taken. It requires that our 5.5-MeV Van de Graaff accelerator be operated in the pulsed and bunched beam mode producing subnanosecond pulses at a 5-MHz repetition frequency. Neutrons are produced by the 7Li(p,n)7Be reaction using a thin metallic elemental lithium target.

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

    NASA Astrophysics Data System (ADS)

    Remmes, Nicholas B.

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

  10. 2009 International Conference on Neutron Scattering (ICNS 2009)

    SciTech Connect

    Gopal Rao, PhD; Gillespie, Donna

    2010-08-05

    The ICNS provides a focal point for the worldwide neutron user community to strengthen ties within this diverse group, while at the same time promoting neutron research among colleagues in related disciplines identified as would-be neutron users. The International Conference on Neutron Scattering thus serves a dual role as an international user meeting and a scientific meeting. As a venue for scientific exchange, the ICNS showcases recent results and provides forums for scientific discussion of neutron research in diverse fields such as hard and soft condensed matter, liquids, biology, magnetism, engineering materials, chemical spectroscopy, crystal structure, and elementary excitations, fundamental physics and development of neutron instrumentation through a combination of invited talks, contributed talks and poster sessions. Each of the major national neutron facilities (NIST, LANSCE, ANL, HFIR and SNS), along with their international counterparts, has an opportunity to exchange information with each other and to update users, and potential users, of their facility. This is also an appropriate forum for users to raise issues that relate to the facilities.

  11. Coherent neutron scattering and collective dynamics on mesoscale

    SciTech Connect

    Novikov, Vladimir; Schweizer, Kenneth S; Sokolov, Alexei P

    2013-01-01

    By combining, and modestly extending, a variety of theoretical concepts for the dynamics of liquids in the supercooled regime, we formulate a simple analytic model for the temperature and wavevector dependent collective density fluctuation relaxation time that is measurable using coherent dynamic neutron scattering. Comparison with experiments on the ionic glass-forming liquid Ca K NO3 in the lightly supercooled regime suggests the model captures the key physics in both the local cage and mesoscopic regimes, including the unusual wavevector dependence of the collective structural relaxation time. The model is consistent with the idea that the decoupling between diffusion and viscosity is reflected in a different temperature dependence of the collective relaxation time at intermediate wavevectors and near the main (cage) peak of the static structure factor. More generally, our analysis provides support for the ideas that decoupling information and growing dynamic length scales can be at least qualitatively deduced by analyzing the collective relaxation time as a function of temperature and wavevector, and that there is a strong link between dynamic heterogeneity phenomena at the single and many particle level. Though very simple, the model can be applied to other systems, such as molecular liquids.

  12. Neutron Scattering Simulations at the University of Kentucky Accelerator Laboratory

    NASA Astrophysics Data System (ADS)

    Nguyen, Thienan; Jackson, Daniel; Hicks, S. F.; Rice, Ben; Vanhoy, J. R.

    2015-10-01

    The Monte-Carlo N-Particle Transport code (MCNP) has many applications ranging from radiography to reactor design. It has particle interaction capabilities, making it useful for simulating neutron collisions on surfaces of varying compositions. The neutron flux within the accelerator complex at the University of Kentucky was simulated using MCNP. With it, the complex's capabilities to contain and thermalize 7 MeV neutrons produced via 2H(d,n)3He source reaction to an acceptable level inside the neutron hall and adjoining rooms were analyzed. This will aid in confirming the safety of researchers who are working in the adjacent control room. Additionally, the neutron transport simulation was used to analyze the impact of the collimator copper shielding on various detectors located around the neutron scattering hall. The purpose of this was to attempt to explain any background neutrons that are observed at these detectors. The simulation shows that the complex performs very well with regards to neutron containment and thermalization. Also, the tracking information for the paths taken by the neutrons show that most of the neutrons' lives are spent inside the neutron hall. Finally, the neutron counts were analyzed at the positions of the neutron monitor detectors located at 90 and 45 degrees relative to the incident beam direction. This project was supported in part by the DOE NEUP Grant NU-12-KY-UK-0201-05 and the Donald A. Cowan Physics Institute at the University of Dallas.

  13. Small Angle Neutron Scattering of Solutions of Arborescent Graft Polymers

    NASA Astrophysics Data System (ADS)

    Choi, Sangwook; Briber, R. M.; Bauer, B. J.; Topp, Andreas; Gauthier, Mario

    1998-03-01

    Arborescent graft polymers are branched macromolecules resulting from successive cycles of chloromethylation and anionic grafting reactions. Small angle neutron scattering (SANS) was used to measure the size and shape of arborescent graft polymers in solution. Guinier plots were used to analyze the data at small q. The radius of gyration of arborescent graft polymers was found to be almost independent of temperature as the solution was cooled towards the phase separation temperature. The optical cloud point temperature was found to be 15 ^0C. At the phase separation temperature two peaks were observed in the I versus q SANS data. The first peak is due to the interference between molecules while the second peak comes from the single particle form factor. The value of q at the peak from the form factor was almost constant as temperature was changed from 40 ^0C to 20 ^0C. The peak position shifted to higher q at the phase separation temperature. This indicates that the size of molecules decreased as the molecules began to aggregate below the phase separation temperature. The value of A2 for arborescent graft polymers was found to be independent of temperature and close to zero.

  14. Characterization of photosynthetic supramolecular assemblies using small angle neutron scattering

    SciTech Connect

    Tiede, D.M.; Marone, P.; Wagner, A.M.; Thiyagarajan, P.

    1995-12-31

    We are using small angle neutron scattering (SANS) to resolve structural features of supramolecular assemblies of photosynthetic proteins in liquid and frozen solutions. SANS resolves the size, shape, and structural homogeneity of macromolecular assemblies in samples identical to those used for spectroscopic assays of photosynthetic function. Likely molecular structures of the supramolecular assemblies can be identified by comparing experimental scattering data with scattering profiles calculated for model supramolecular assemblies built from crystal structures of the individual proteins. SANS studies of the Rhodobacter sphaeroides reaction center, RC, presented here, show that the detergent solubilized RC exists in a variety of monomeric and aggregation states. The distribution between monomer and aggregate was found to depend strongly upon detergent, temperature and nature of additives, such as ethylene glycol used for low temperature spectroscopy and polyethylene glycol used for crystallization. Likely aggregate structures are being identified by fitting the experimental scattering profiles with those calculated for model aggregates built-up using the RC crystal structure. This work establishes the foundation for using SANS to identify intermediates in the RC crystallization pathways, and for determining likely structures of complexes formed between the RC and its physiological reaction partners, cytochrome c, and the LHI antenna complex.

  15. Measurement of the Coherent Neutron Scattering Length of 3He

    PubMed Central

    Ketter, W.; Heil, W.; Badurek, G.; Baron, M.; Loidl, R.; Rauch, H.

    2005-01-01

    By means of neutron interferometry the s-wave neutron scattering length of the 3He nucleus was re-measured at the Institut Laue-Langevin (ILL). Using a skew symmetrical perfect crystal Si-interferometer and a linear twin chamber cell, false phase shifts due to sample misalignment were reduced to a negligible level. Simulation calculations suggest an asymmetrically alternating measuring sequence in order to compensate for systematic errors caused by thermal phase drifts. There is evidence in the experiment’s data that this procedure is indeed effective. The neutron refractive index in terms of Sears’ exact expression for the scattering amplitude has been analyzed in order to evaluate the measured phase shifts. The result of our measurement, b′c = (6.000 ± 0.009) fm, shows a deviation towards a greater value compared to the presently accepted value of b′c = (5.74 ± 0.07) fm, confirming the observation of the partner experiment at NIST. On the other hand, the results of both precision measurements at NIST and ILL exhibit a serious 12σ (12 standard uncertainties) deviation, the reason for which is not clear yet.

  16. The bound coherent neutron scattering lengths of the oxygen isotopes

    NASA Astrophysics Data System (ADS)

    Fischer, Henry E.; Simonson, J. Mike; Neuefeind, Jörg C.; Lemmel, Hartmut; Rauch, Helmut; Zeidler, Anita; Salmon, Philip S.

    2012-12-01

    The technique of neutron interferometry was used to measure the bound coherent neutron scattering length bcoh of the oxygen isotopes 17O and 18O. From the measured difference in optical path between two water samples, either H217O or H218O versus H2natO, where nat denotes the natural isotopic composition, we obtain bcoh,17O = 5.867(4) fm and bcoh,18O = 6.009(5) fm, based on the accurately known value of bcoh,natO = 5.805(4) fm which is equal to bcoh,16O within the experimental uncertainty. Our results for bcoh,17O and bcoh,18O differ appreciably from the standard tabulated values of 5.6(5) fm and 5.84(7) fm, respectively. In particular, our measured scattering-length contrast of 0.204(3) fm between 18O and natO is nearly a factor of 6 greater than the tabulated value, which renders feasible neutron diffraction experiments using 18O isotope substitution and thereby offers new possibilities for measuring the partial structure factors of oxygen-containing compounds, such as water.

  17. Physical characteristics of human transferrin from small angle neutron scattering.

    PubMed Central

    Martel, P; Kim, S M; Powell, B M

    1980-01-01

    The technique of small angle neutron scattering has been used to determine the molecular shape, the volume, and the molecular weight of pooled human transferrin in an aqueous solution isotonic with blood. Analysis of the measurements assuming a spheroidal molecular shape indicates that an oblate spheroid with semi-axes of length 46.6 +/- 1.4, 46.6 +/- 1.4 and 15.8 +/- 3.8 A, and a molecular volume of (144 +/- 45) X 10(3) A3 is the best simple approximation to the shape of the transferrin molecule. The radius of gyration, Rg, determined from a Guinier plot is 30.25 +/- 0.49 A, in agreement with Rg calculated for the oblate spheroidal shape. The molecular weight is determined to be (75 +/- 5) X 10(3). The shape-independent molecular volume is found to be (98 +/- 10) X 10(3) A3. The difference in the two volumes suggests that transferrin is not a uniform spheroid but may have a more complex shape. PMID:7260293

  18. Ultra-small-angle neutron scattering with azimuthal asymmetry

    PubMed Central

    Gu, X.; Mildner, D. F. R.

    2016-01-01

    Small-angle neutron scattering (SANS) measurements from thin sections of rock samples such as shales demand as great a scattering vector range as possible because the pores cover a wide range of sizes. The limitation of the scattering vector range for pinhole SANS requires slit-smeared ultra-SANS (USANS) measurements that need to be converted to pinhole geometry. The desmearing algorithm is only successful for azimuthally symmetric data. Scattering from samples cut parallel to the plane of bedding is symmetric, exhibiting circular contours on a two-dimensional detector. Samples cut perpendicular to the bedding show elliptically dependent contours with the long axis corresponding to the normal to the bedding plane. A method is given for converting such asymmetric data collected on a double-crystal diffractometer for concatenation with the usual pinhole-geometry SANS data. The aspect ratio from the SANS data is used to modify the slit-smeared USANS data to produce quasi-symmetric contours. Rotation of the sample about the incident beam may result in symmetric data but cannot extract the same information as obtained from pinhole geometry. PMID:27275140

  19. The bound coherent neutron scattering length of the oxygen isotopes

    SciTech Connect

    Fischer, Henry E; Simonson, J Michael {Mike}; Neuefeind, Joerg C; Lemmel, Hartmut; Rauch, Helmut; Zeidler, Anita; Salmon, Phil

    2012-01-01

    The technique of neutron interferometry was used to measure the bound coherent neutron scattering length bcoh of the oxygen isotopes 17O and 18O. From the measured difference in optical path between two water samples, either H2 17O or H2 18O versus H2 natO, where nat denotes the natural isotopic composition, we obtain bcoh , 17O = 5.867(4) fm and bcoh , 18O = 6.009(5) fm, based on the accurately known value of bcoh , natO = 5.805(4) fm which is equal to bcoh , 16O within the experimental uncertainty. Our results for bcoh , 17O and bcoh , 18O differ appreciably from the standard tabulated values of 5.6(5) fm and 5.84(7) fm, respectively. In particular, our measured scattering length contrast of 0.204(3) fm between 18O and natO is nearly a factor of 6 greater than the tabulated value, which renders feasible neutron diffraction experiments using 18O isotope substitution and thereby offers new possibilites for measuring the partial structure factors of oxygen-containing compounds, such as water.

  20. Coherent quasielastic neutron scattering from NbDx

    NASA Astrophysics Data System (ADS)

    Dosch, H.; Peisl, J.; Dorner, B.

    1987-03-01

    The quasistatic local lattice distortions around individual interstitial deuterium defects in niobium have been investigated by means of coherent quasielastic neutron scattering. The important experimental issues of this study are discussed in detail. We compare the observed absolute scattering cross section with various model calculations in which many different defect locations and the associated Kanzaki forces are tested. The results show that the heretofore anticipated defect models are insufficient to describe the local defect environment. A new model which takes into account the occurrence of diffusion-induced nonequilibrium distortions is able to describe virtually all of our experimental findings. By this analysis we confirm on one hand that D in Nb is preferentially located at tetrahedral sites. We demonstrate on the other hand that a partial triangular site occupancy has to be taken into account, which is associated with a perturbed flight phase of the highly mobile defect. The evidence in our study of local nonequilibrium distortions sheds new light on the cubic symmetry of the force dipole moment and on other distortion-mediated defect properties.

  1. A neutron scattering study of the structure of amorphous glucose

    NASA Astrophysics Data System (ADS)

    Tromp, R. Hans; Parker, Roger; Ring, Steve G.

    1997-10-01

    Wide angle neutron scattering combined with H/D substitution has been applied to determine the hydrogen bond structure in glassy and liquid glucose [C6H7O(OH)5]. H/D substitution involved only the H atoms belonging to OH groups. The resulting radial distribution function gHH(r) clearly shows the ordering of H atoms, in a way expected from hydrogen bonding. At -10 °C and 35 °C, at which temperatures glucose is in the glassy state, temperature dependence of the hydrogen bond structure is clearly observed. The number of hydrogen bonds in the glassy state is similar to that in the crystalline state. At 80 °C, in the undercooled liquid state, the number of hydrogen bonds is 20% lower and the hydrogen bond structure much less pronounced. The hydrogen bond H-H distance is found to be in the range of 2.4-2.6 Å, similar to the values found in the crystal (2.40 Å) and water at room temperature (2.44 Å). At the lower temperatures, preliminary GROMOS molecular dynamics simulation results of gHH(r) are in reasonable agreement with the experimental data. However, at 80 °C, the simulations seriously overestimate intermolecular structure.

  2. Neutron Scattering Study of Low Dimensional Quantum Magnets

    NASA Astrophysics Data System (ADS)

    Broholm, Collin

    1997-03-01

    I review three neutron scattering experiments which have uncovered unusual magnetic phenomena in non-metallic low dimensional quantum antiferromagnets. (Work done in collaboration with M. Adams, G. Aeppli, C. Carlile, S.-W. Cheong, D. Davidović), D. C. Dender, J. F. DiTusa, P. R. Hammar, B. Hessen, T. Ito, S. H. Lee, K. Lefmann, K. Oka, T. G. Perring, A. P. Ramirez, Daniel H. Reich, H. Takagi, A. Taylor, and Guangyong Xu. I present evidence that the low temperature short-range ordered spin configuration in the kagomé bi-layer system SrCr_9pGa_12-9pO_19 is composed of small groups of spins whose dipole moments cancel. I report the first observation of field induced incommensurate spin correlations in the uniform spin 1/2 antiferromagnetic chain copper benzoate, and I discuss new results concerning sub-gap excitations in a spin 1 antiferromagnetic chain with impurity bonds, (Y_1-xCa_x)_2BaNiO_5.

  3. Modeling neutron scattering in disperse, nonuniformly labeled commercial polyolefins

    NASA Astrophysics Data System (ADS)

    Habersberger, Brian; Hart, Kyle; Gillespie, David; Huang, Tianzi

    In spite of their chemically simple monomer elements, understanding of many structural, thermodynamic, and other aspects of polyolefins has remained elusive. Scattering studies on polyolefins are challenged by their nearly identical density in the melt, requiring the use of deuterium-labeling to provide contrast for small-angle neutron scattering (SANS). Until recently, labeling of commercial polyolefins has been prohibitively costly, leading SANS investigations on polyolefins to focus on non-disperse model systems. Commercial polyolefins often have broad molecular weight and composition distributions, and such dispersity plays an important role in their rheology, crystallization, and mechanical properties. Recent reports have described facile hydrogen-deuterium exchange reactions that preserve the chain architecture of polyolefins. However, such exchange is not uniformly distributed across the chain population. Here, we report a generalized application of the Random Phase Approximation prediction for SANS from homogeneous polymer blends to account for such dispersity. A Monte-Carlo method is used to calculate the deuterium distribution that corresponds to SANS measurements. These methods provide powerful tools for probing the structure of disperse polymer architectures.

  4. Phonon dynamics and inelastic neutron scattering of sodium niobate

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  5. Practical applications of small-angle neutron scattering.

    PubMed

    Hollamby, Martin J

    2013-07-14

    Recent improvements in beam-line accessibility and technology have led to small-angle neutron scattering (SANS) becoming more frequently applied to materials problems. SANS has been used to study the assembly, dispersion, alignment and mixing of nanoscale condensed matter, as well as to characterise the internal structure of organic thin films, porous structures and inclusions within steel. Using time-resolved SANS, growth mechanisms in materials systems and soft matter phase transitions can also be explored. This review is intended for newcomers to SANS as well as experts. Therefore, the basic knowledge required for its use is first summarised. After this introduction, various examples are given of the types of soft and hard matter that have been studied by SANS. The information that can be extracted from the data is highlighted, alongside the methods used to obtain it. In addition to presenting the findings, explanations are provided on how the SANS measurements were optimised, such as the use of contrast variation to highlight specific parts of a structure. Emphasis is placed on the use of complementary techniques to improve data quality (e.g. using other scattering methods) and the accuracy of data analysis (e.g. using microscopy to separately determine shape and size). This is done with a view to providing guidance on how best to design and analyse future SANS measurements on materials not listed below. PMID:23552189

  6. Inelastic neutron scattering from tetramethylammonium cations occluded within zeolites

    SciTech Connect

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

    1987-06-24

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

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

    PubMed Central

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

    2013-01-01

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

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

    SciTech Connect

    Niimura, Nobuo

    1994-12-31

    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.

  9. Current applications of neutron scattering in condensed matter physics, materials science and engineering

    NASA Astrophysics Data System (ADS)

    Cywinski, R.

    1997-02-01

    A brief review is presented of the current applications of neutron scattering in the fields of magnetism, highly correlated electron systems, materials science and industrial applications, as represented by presentations at ECNS'96.

  10. Small-angle neutron scattering of nanocrystalline terbium with random paramagnetic susceptibility.

    PubMed

    Balaji, G; Ghosh, S; Döbrich, F; Eckerlebe, H; Weissmüller, J

    2008-06-01

    We report magnetic small-angle neutron scattering (SANS) data for the nanocrystalline rare earth metal Terbium in its paramagnetic state. Whereas critical scattering dominates at large momentum transfer, q, the (magnetic-) field response of the scattering at small q arises from the spatial nonuniformity of the paramagnetic susceptibility tensor. The finding of an interrelation between SANS and the susceptibility suggests a way for characterizing the nonuniform magnetic interactions in hard magnets by neutron scattering. PMID:18643454

  11. Progesterone and testosterone studies by neutron-scattering methods and quantum chemistry calculations

    NASA Astrophysics Data System (ADS)

    Holderna-Natkaniec, K.; Szyczewski, A.; Natkaniec, I.; Khavryutchenko, V. D.; Pawlukojc, A.

    Inelastic incoherent neutron scattering (IINS) and neutron diffraction spectra of progesterone and testosterone were measured simultaneously on the NERA spectrometer at the IBR-2 pulsed reactor in Dubna. Both studied samples do not indicate any phase transition in the temperature range from 20 to 290K. The IINS spectra have been transformed to the phonon density of states (PDS) in the one-phonon scattering approximation. The PDS spectra display well-resolved peaks of low-frequency internal vibration modes up to 600cm-1. The assignment of these modes was proposed taking into account the results of calculations of the structure and dynamics of isolated molecules of the investigated substances. The quantum chemistry calculations were performed by the semi-empirical PM3 method and at the restricted Hartree-Fock level with the 6-31* basis set. The lower internal modes assigned to torsional vibration of the androstane skeleton mix with the lattice vibrations. The intense bands in the PDS spectra in the frequency range from 150 to 300cm-1 are related to librations of structurally inequivalent methyl groups.

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

    SciTech Connect

    Hilleke, Russell Otto

    1983-01-01

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

  13. Using Java to visualize and manipulate large arrays of neutron scattering data

    SciTech Connect

    Mikkelson, D.; Worlton, T.; Chatterjee, A.; Hammonds, J.; Chen, D.

    2000-02-02

    The Intense Pulsed Neutron Source at Argonne National Laboratory is a world class pulsed neutron source with thirteen instruments designed to characterize materials using time-of-flight neutron scattering techniques. For each instrument, a collimated pulse of neutrons is directed to a material sample. The neutrons are scattered by the sample and detected by arrays of detectors. The type, number and arrangement of detectors vary widely from instrument to instrument, depending on which properties of materials are being studied. In all cases, the faster, higher energy neutrons reach the detectors sooner than the lower energy neutrons. This produces a time-of-flight spectrum at each detector element. The time-of-flight spectrum produced by each detector element records the scattering intensity at hundreds to thousands of discrete time intervals. Since there are typically between two hundred and ten thousand distinct detector elements, a single set of raw data can include millions of points. Often many such datasets are collected for a single sample to determine the effect of different conditions on the microscopic structure and dynamics of the sample. In this project, Java was used to construct a portable highly interactive system for viewing and operating on large collections of time-of-flight spectra. Java performed surprisingly well in handling large amounts of data quickly was fast enough even with standard PC hardware. Although Java may not be the choice at this time for applications where computational efficiency is the primary refinement, any disadvantages in this case were outweighed by the advantages of a clean object oriented language with a portable set of GUI components. The authors anticipate that Java will prove useful for scientific computing and data visualization in situations where portability, case of use and effective use of software development manpower are critical.

  14. Hierarchical Pore Morphology of Cretaceous Shale: A Small-Angle Neutron Scattering and Ultrasmall-Angle Neutron Scattering Study

    SciTech Connect

    Bahadur, J.; Melnichenko, Y. B.; Mastalerz, Maria; Furmann, Agnieszka; Clarkson, Chris R.

    2014-09-25

    Shale reservoirs are becoming an increasingly important source of oil and natural gas supply and a potential candidate for CO2 sequestration. Understanding the pore morphology in shale may provide clues to making gas extraction more efficient and cost-effective. The porosity of Cretaceous shale samples from Alberta, Canada, collected from different depths with varying mineralogical compositions, has been investigated by small- and ultrasmall-angle neutron scattering. Moreover these samples come from the Second White Specks and Belle Fourche formations, and their organic matter content ranges between 2 and 3%. The scattering length density of the shale specimens has been estimated using the chemical composition of the different mineral components. Scattering experiments reveal the presence of fractal and non-fractal pores. It has been shown that the porosity and specific surface area are dominated by the contribution from meso- and micropores. The fraction of closed porosity has been calculated by comparing the porosities estimated by He pycnometry and scattering techniques. There is no correlation between total porosity and mineral components, a strong correlation has been observed between closed porosity and major mineral components in the studied specimens.

  15. Hierarchical Pore Morphology of Cretaceous Shale: A Small-Angle Neutron Scattering and Ultrasmall-Angle Neutron Scattering Study

    DOE PAGESBeta

    Bahadur, J.; Melnichenko, Y. B.; Mastalerz, Maria; Furmann, Agnieszka; Clarkson, Chris R.

    2014-09-25

    Shale reservoirs are becoming an increasingly important source of oil and natural gas supply and a potential candidate for CO2 sequestration. Understanding the pore morphology in shale may provide clues to making gas extraction more efficient and cost-effective. The porosity of Cretaceous shale samples from Alberta, Canada, collected from different depths with varying mineralogical compositions, has been investigated by small- and ultrasmall-angle neutron scattering. Moreover these samples come from the Second White Specks and Belle Fourche formations, and their organic matter content ranges between 2 and 3%. The scattering length density of the shale specimens has been estimated using themore » chemical composition of the different mineral components. Scattering experiments reveal the presence of fractal and non-fractal pores. It has been shown that the porosity and specific surface area are dominated by the contribution from meso- and micropores. The fraction of closed porosity has been calculated by comparing the porosities estimated by He pycnometry and scattering techniques. There is no correlation between total porosity and mineral components, a strong correlation has been observed between closed porosity and major mineral components in the studied specimens.« less

  16. Dynamical transition of myoglobin revealed by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Doster, Wolfgang; Cusack, Stephen; Petry, Winfried

    1989-02-01

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

  17. Dynamics of water in prussian blue analogues: Neutron scattering study

    NASA Astrophysics Data System (ADS)

    Sharma, V. K.; Mitra, S.; Thakur, N.; Yusuf, S. M.; Juranyi, Fanni; Mukhopadhyay, R.

    2014-07-01

    Dynamics of crystal water in Prussian blue (PB), Fe(III)4[Fe(II)(CN)6]3.14H2O and its analogue Prussian green (PG), ferriferricynaide, Fe(III)4[Fe(III)(CN)6]4.16H2O have been investigated using Quasielastic Neutron Scattering (QENS) technique. PB and its analogue compounds are important materials for their various interesting multifunctional properties. It is known that crystal water plays a crucial role towards the multifunctional properties of Prussian blue analogue compounds. Three structurally distinguishable water molecules: (i) coordinated water molecules at empty nitrogen sites, (ii) non-coordinated water molecules in the spherical cavities, and (iii) at interstitial sites exist in PB. Here spherical cavities are created due to the vacant sites of Fe(CN)6 units. However, PG does not have any such vacant N or Fe(CN)6 units, and only one kind of water molecules, exists only at interstitial sites. QENS experiments have been carried out on both the compounds in the temperature range of 260-360 K to elucidate the dynamical behavior of different kinds of water molecules. Dynamics is found to be much more pronounced in case of PB, compared to PG. A detailed data analysis showed that localized translational diffusion model could describe the observed data for both PB and PG systems. The average diffusion coefficient is found to be much larger in the PB than PG. The obtained domain of dynamics is found to be consistent with the geometry of the structure of the two systems. Combining the data of the two systems, a quantitative estimate of the dynamics, corresponding to the water molecules at different locations is made.

  18. Dynamics of water in prussian blue analogues: Neutron scattering study

    SciTech Connect

    Sharma, V. K.; Mitra, S.; Thakur, N.; Yusuf, S. M.; Mukhopadhyay, R.; Juranyi, Fanni

    2014-07-21

    Dynamics of crystal water in Prussian blue (PB), Fe(III){sub 4}[Fe(II)(CN){sub 6}]{sub 3}.14H{sub 2}O and its analogue Prussian green (PG), ferriferricynaide, Fe(III){sub 4}[Fe(III)(CN){sub 6}]{sub 4}.16H{sub 2}O have been investigated using Quasielastic Neutron Scattering (QENS) technique. PB and its analogue compounds are important materials for their various interesting multifunctional properties. It is known that crystal water plays a crucial role towards the multifunctional properties of Prussian blue analogue compounds. Three structurally distinguishable water molecules: (i) coordinated water molecules at empty nitrogen sites, (ii) non-coordinated water molecules in the spherical cavities, and (iii) at interstitial sites exist in PB. Here spherical cavities are created due to the vacant sites of Fe(CN){sub 6} units. However, PG does not have any such vacant N or Fe(CN){sub 6} units, and only one kind of water molecules, exists only at interstitial sites. QENS experiments have been carried out on both the compounds in the temperature range of 260–360 K to elucidate the dynamical behavior of different kinds of water molecules. Dynamics is found to be much more pronounced in case of PB, compared to PG. A detailed data analysis showed that localized translational diffusion model could describe the observed data for both PB and PG systems. The average diffusion coefficient is found to be much larger in the PB than PG. The obtained domain of dynamics is found to be consistent with the geometry of the structure of the two systems. Combining the data of the two systems, a quantitative estimate of the dynamics, corresponding to the water molecules at different locations is made.

  19. Innovative wavelet protocols in analyzing elastic incoherent neutron scattering.

    PubMed

    Magazù, S; Migliardo, F; Caccamo, M T

    2012-08-01

    Wavelet analysis has recently found a wide range of applications in Physics, Mathematics, and signal processing. This is mainly due to its ability to locally resolve a nonstationary signal in terms of functional forms, called mother wavelets, and to firmly locate trend anomalies in the signal. In the present paper, some examples of the application of wavelet analysis to elastic incoherent neutron scattering (EINS) data collected by the IN13 spectrometer at the Institute Laue Langevin (ILL) on water mixtures of the three homologous disaccharides, trehalose, maltose, and sucrose, and on literature data of dry and hydrated lysozyme and myoglobine as a function of temperature and of exchanged wave vector are presented. The experimental findings have been analyzed by means of a wavelet analysis that allows one to characterize the scattered elastic intensity behavior on different scales and to locate the discontinuities and the trend anomalies in the registered signal. This latter procedure is made possible thanks to the multiscale analysis, which allows, by decreasing the scale, one to localize the peculiar trend features. The entire body of the experimental findings reveals different transition temperatures for the three investigated disaccharides together with a stronger temperature dependence of the maltose/H(2)O and sucrose/H(2)O systems in comparison with the trehalose/H(2)O mixture, which signals a stronger character of this latter in comparison with the other two homologous disaccharides. These results justify the better ability of trehalose, with respect to maltose and sucrose, to encapsulate biostructures in a more rigid matrix. PMID:22793379

  20. Concept for a time-of-flight Small Angle Neutron Scattering instrument at the European Spallation Source

    NASA Astrophysics Data System (ADS)

    Jaksch, S.; Martin-Rodriguez, D.; Ostermann, A.; Jestin, J.; Duarte Pinto, S.; Bouwman, W. G.; Uher, J.; Engels, R.; Frielinghaus, H.

    2014-10-01

    A new Small Angle Neutron Scattering instrument is proposed for the European Spallation Source. The pulsed source requires a time-of-flight analysis of the gathered neutrons at the detector. The optimal instrument length is found to be rather large, which allows for a polarizer and a versatile collimation. The polarizer allows for studying magnetic samples and incoherent background subtraction. The wide collimation will host VSANS and SESANS options that increase the resolution of the instrument towards μm and tens of μm, respectively. Two 1 m2 area detectors will cover a large solid angle simultaneously. The expected gains for this new instrument will lie in the range between 20 and 36, depending on the assessment criteria, when compared to up-to-date reactor based instruments. This will open new perspectives for fast kinetics, weakly scattering samples, and multi-dimensional contrast variation studies.

  1. New opportunities provided by modernized small-angle neutron scattering two-detector system instrument (YuMO)

    NASA Astrophysics Data System (ADS)

    Kuklin, A. I.; Soloviov, D. V.; Rogachev, A. V.; Utrobin, P. K.; Kovalev, Yu S.; Balasoiu, M.; Ivankov, O. I.; Sirotin, A. P.; Murugova, T. N.; Petukhova, T. B.; Gorshkova, Yu E.; Erhan, R. V.; Kutuzov, S. A.; Soloviev, A. G.; Gordeliy, V. I.

    2011-04-01

    Main features of the modernized small-angle neutron scattering spectrometer (YuMO) at IBR-2M pulsed reactor are described. New installations for sample environment of the spectrometer are highlighted. The modernized SANS instrument (YuMO) is equipped with a new type of position sensitive detector as well as two detector system which provide a unique dynamic range (Qmax/Qmin ratio is about 90). Sample environment is extended with a magnetic system (magnetic field about 2.5 Tesla), automated high pressure setup which allows simultaneous SANS and volumetric high pressure studies and light illumination system. In particular, these developments led to considerable improvements of resolution of the instrument (about 1%) and opened the possibility to study anisotropic materials and perform efficient high pressure studies.

  2. A National Spallation Neutron Source for neutron scattering

    SciTech Connect

    Appleton, B.R.

    1996-10-01

    The National Spallation Neutron Source is a collaborative project or perform the conceptual design for a next generation neutron source for the Department of Energy. This paper reviews the need and justification for a new neutron source, the origins and structure of the collaboration formed to address this need, and the community input leading up to the current design approach. A reference design is presented for an accelerator based spallation neutron source that would begin operation at about 1 megawatt of power but designed so that it could be upgraded to significantly higher powers in the future. The technology approach, status, and progress on the conceptual design to date are presented.

  3. Proceedings of a workshop on methods for neutron scattering instrumentation design

    SciTech Connect

    Hjelm, R.P.

    1997-09-01

    The future of neutron and x-ray scattering instrument development and international cooperation was the focus of the workshop. The international gathering of about 50 participants representing 15 national facilities, universities and corporations featured oral presentations, posters, discussions and demonstrations. Participants looked at a number of issues concerning neutron scattering instruments and the tools used in instrument design. Objectives included: (1) determining the needs of the neutron scattering community in instrument design computer code and information sharing to aid future instrument development, (2) providing for a means of training scientists in neutron scattering and neutron instrument techniques, and (3) facilitating the involvement of other scientists in determining the characteristics of new instruments that meet future scientific objectives, and (4) fostering international cooperation in meeting these needs. The scope of the meeting included: (1) a review of x-ray scattering instrument design tools, (2) a look at the present status of neutron scattering instrument design tools and models of neutron optical elements, and (3) discussions of the present and future needs of the neutron scattering community. Selected papers were abstracted separately for inclusion to the Energy Science and Technology Database.

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

    SciTech Connect

    Dai, Pengcheng

    2014-02-18

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

  5. Neutron scattering instrumentation for biology at spallation neutron sources

    SciTech Connect

    Pynn, R.

    1994-12-31

    Conventional wisdom holds that since biological entities are large, they must be studied with cold neutrons, a domain in which reactor sources of neutrons are often supposed to be pre-eminent. In fact, the current generation of pulsed spallation neutron sources, such as LANSCE at Los Alamos and ISIS in the United Kingdom, has demonstrated a capability for small angle scattering (SANS) - a typical cold- neutron application - that was not anticipated five years ago. Although no one has yet built a Laue diffractometer at a pulsed spallation source, calculations show that such an instrument would provide an exceptional capability for protein crystallography at one of the existing high-power spoliation sources. Even more exciting is the prospect of installing such spectrometers either at a next-generation, short-pulse spallation source or at a long-pulse spallation source. A recent Los Alamos study has shown that a one-megawatt, short-pulse source, which is an order of magnitude more powerful than LANSCE, could be built with today`s technology. In Europe, a preconceptual design study for a five-megawatt source is under way. Although such short-pulse sources are likely to be the wave of the future, they may not be necessary for some applications - such as Laue diffraction - which can be performed very well at a long-pulse spoliation source. Recently, it has been argued by Mezei that a facility that combines a short-pulse spallation source similar to LANSCE, with a one-megawatt, long-pulse spallation source would provide a cost-effective solution to the global shortage of neutrons for research. The basis for this assertion as well as the performance of some existing neutron spectrometers at short-pulse sources will be examined in this presentation.

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

    NASA Astrophysics Data System (ADS)

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

    1994-12-01

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

  7. In vivo deuteration strategies for neutron scattering analysis of bacterial polyhydroxyoctanoate.

    PubMed

    Russell, Robert A; Holden, Peter J; Wilde, Karyn L; Garvey, Christopher J; Hammerton, Kerie M; Foster, L John R

    2008-06-01

    The cultivation of microorganisms on deuterated substrates has allowed us to control deuterium incorporation into biopolymer systems which is important for characterisation using neutron scattering techniques. Bacterial polyhydroxyoctanoate (PHO) is a polyester formed within inclusions inside bacterial cells and was deuterated in vivo under various conditions to characterise the formation of these inclusions by neutron scattering. Manipulation of deuterated media during microbial growth and PHO production phases resulted in polymer with partial or complete substitution of hydrogen by deuterium, as shown by gas chromatography. Sequential feeding of hydrogenated and deuterated forms of the same precursor was used to demonstrate that neutron scattering analysis could be used to differentiate between chemically similar phases in these polymer inclusions. PMID:18481053

  8. Report on the workshop on Monte Carlo simulation of neutron scattering instruments

    SciTech Connect

    Crawford, R.K.

    1998-01-09

    The main purpose of this workshop was to reach a consensus concerning the desired features of a general computer program for source-to-detector Monte Carlo simulation of neutron scattering instruments. A second goal was to decide on a strategy for achieving this and to begin to portion out the tasks involved to avoid duplication of efforts among the various groups. The meeting was organized by Kent Crawford (Argonne National Laboratory) and attended by representatives of all the major US neutron scattering facilities and several of the European neutron scattering facilities. This document is a summary of the discussions that took place during the workshop. A copy of the meeting schedule is attached, as well as a list of participants.

  9. Dynamic neutron scattering on incoherent systems using efficient resonance spin flip techniques

    SciTech Connect

    Häussler, Wolfgang; Kredler, Lukas

    2014-05-15

    We have performed numerical ray-tracing Monte-Carlo-simulations of incoherent dynamic neutron scattering experiments. We intend to optimize the efficiency of incoherent measurements depending on the fraction of neutrons scattered without and with spin flip at the sample. In addition to conventional spin echo, we have numerically and experimentally studied oscillating intensity techniques. The results point out the advantages of these different spin echo variants and are an important prerequisite for neutron resonance spin echo instruments like RESEDA (FRM II, Munich), to choose the most efficient technique depending on the scattering vector range and the properties of the sample system under study.

  10. Superfluidity, Bose condensation and neutron scattering in liquid {sup 4}He

    SciTech Connect

    Silver, R.N.

    1997-04-01

    The relation between superfluidity and Bose condensation in {sup 4}He provides lessons that may be valuable in understanding the strongly correlated electron system of high {Tc} superconductivity. Direct observation of a Bose condensate in the superfluid by deep inelastic neutron scattering measurements has been attempted over many years. But the impulse approximation, which relates momentum distributions to neutron scattering structure functions, is broadened by final state effects. Nevertheless, the excellent quantitative agreement between ab initio quantum many body theory and high precision neutron experiments provides confidence in the connection between superfluidity and Bose condensation.

  11. Evaluation of diffuse neutron scattering at elevated temperatures and local decomposition in Ni-Au

    NASA Astrophysics Data System (ADS)

    Portmann, M. J.; Schönfeld, B.; Kostorz, G.; Altorfer, F.; Kohlbrecher, J.

    2003-07-01

    It is demonstrated that in the diffuse neutron scattering of alloys at elevated temperatures (i) the temperature dependence of the linear absorption coefficient is the reason for problems encountered hitherto in the evaluation of diffuse wide-angle scattering and (ii) small-angle neutron scattering has to be corrected for thermal diffuse scattering. These corrections are applied to published data of Ni-8.4 at. % Au and Ni-9.6 at. % Ti and are used to firmly establish that local decomposition is also present in Au-rich Ni-Au above the miscibility gap.

  12. Magnetic Structure of NiCr2O4 Studied by Neutron Scattering and Magnetization Measurements

    NASA Astrophysics Data System (ADS)

    Tomiyasu, Keisuke; Kagomiya, Isao

    2004-09-01

    The magnetic ordering of the normal spinel ferrimagnet NiCr2O4 below TC = 74 K was reinvestigated by neutron scattering and magnetization measurements on a powder specimen. We found another magnetic transition at TS = 31 K besides TC in both experiments. The ordering of a ferrimagnetic (longitudinal) component and that of an antiferromagnetic (transverse) component occur at TC and TS, separately. A new magnetic structure model of NiCr2O4 below TS with a spontaneous magnetization of about 0.3 μB/formula is proposed based on experimental neutron scattering intensity.

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

    NASA Astrophysics Data System (ADS)

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

    2006-01-01

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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  17. The Manuel Lujan, Jr. Neutron Scattering Center LANSCE experiment reports 1989 run cycle

    SciTech Connect

    Hyer, D.K.; DiStravolo, M.A.

    1990-10-01

    This report contains a listing and description of experiments carried on at the LANSCE neutron scattering facility in the following areas: High Density Powder Diffraction; Neutron Powder Diffractometer, (NPD); Single Crystal Diffractometer, (SCD); Low-Q Diffractometer, (LQD); Surface Profile Analysis Reflectometer, (SPEAR); Filter Difference Spectrometer, (FDS); and Constant-Q Spectrometer.

  18. Extracting hadron-neutron scattering amplitudes from hadron-proton and hadron-deuteron measurements

    NASA Technical Reports Server (NTRS)

    Franco, V.

    1977-01-01

    A method is presented for extracting hadron-neutron scattering amplitudes from hadron-proton and hadron-deuteron measurements within the framework of the Glauber approximation. This method, which involves the solution of a linear integral equation, is applied to pn collisions between 15 and 275 GeV/c. Effects arising from inelastic intermediate states are estimated.

  19. Neutron Scattering at Highest Magnetic Fields at the Helmholtz Centre Berlin

    NASA Astrophysics Data System (ADS)

    Smeibidl, P.; Tennant, A.; Ehmler, H.; Bird, M.

    2010-04-01

    The Helmholtz Centre Berlin (HZB), formerly Hahn-Meitner Institute is a user facility for the study of structure and dynamics with neutrons and synchrotron radiation with special emphasis on experiments under extreme conditions. Neutron scattering is uniquely suited to study magnetic properties on a microscopic length scale, because neutrons have comparable wavelengths and, due to their magnetic moment, they interact with the atomic magnetic moments. At HZB a dedicated instrument for neutron scattering at extreme fields is under construction, the Extreme Environment Diffractometer ExED. It is projected according to the “time-of-flight” principle for elastic and inelastic neutron scattering and for the special geometric constraints of analysing samples in a high field magnet. The new magnet will not only allow for novel experiments, it will be at the forefront of development in magnet technology itself. The design of the magnet will follow the Series Connected Hybrid System Technology (SCH) developed at the National High Magnetic Field Laboratory (NHMFL) in Tallahassee, Florida. To compromise between the needs of the magnet design for highest fields and the concept of the neutron instrument, the magnetic field will be generated by means of a coned solenoid with horizontal field orientation. By using resistive insert coils, which are mounted in the room temperature bore of a superconducting cable-in-conduit (CIC) magnet, fields above 30 Tesla can be obtained in a geometry optimised for the demands of neutron scattering.

  20. Mantid-Data analysis and visualization package for neutron scattering and μ SR experiments

    NASA Astrophysics Data System (ADS)

    Arnold, O.; Bilheux, J. C.; Borreguero, J. M.; Buts, A.; Campbell, S. I.; Chapon, L.; Doucet, M.; Draper, N.; Ferraz Leal, R.; Gigg, M. A.; Lynch, V. E.; Markvardsen, A.; Mikkelson, D. J.; Mikkelson, R. L.; Miller, R.; Palmen, K.; Parker, P.; Passos, G.; Perring, T. G.; Peterson, P. F.; Ren, S.; Reuter, M. A.; Savici, A. T.; Taylor, J. W.; Taylor, R. J.; Tolchenov, R.; Zhou, W.; Zikovsky, J.

    2014-11-01

    The Mantid framework is a software solution developed for the analysis and visualization of neutron scattering and muon spin measurements. The framework is jointly developed by software engineers and scientists at the ISIS Neutron and Muon Facility and the Oak Ridge National Laboratory. The objectives, functionality and novel design aspects of Mantid are described.

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

    PubMed

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

    2016-03-01

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

  2. Neutron Scattering Studies of Fundamental Processes in Earth Materials, Final Report

    SciTech Connect

    McCall, K. R.

    2007-06-11

    The aim of this work was to use neutron scattering techniques to explore the dynamics and structure of water in rock samples. The dynamics of water in rock at low (residual) saturation are directly related to the transport properties of fluids within the host rock. The structure of water in rock may be related to the elastic behavior of the rock, which in many cases is nonlinear and hysteretic. Neutron scattering techniques allow us to study water in intact rock samples at both the molecular and microstructural scales. Our samples were Berea sandstone, Calico Hills and Prow Pass tuffs from Yucca Mountain, NV, and pure samples of the tuff constituents, specifically mordenite and clinoptilolite. We chose Berea sandstone because its macroscopic elastic behavior is known to be highly unusual, and the microscopic mechanisms producing this behavior are not understood. We chose Yucca Mountain tuff, because the fluid transport properties of the geologic structure at Yucca Mountain, Nevada could be relevant to the performance of a high level nuclear waste repository at that site. Neutron scattering methods have a number of properties that are extremely useful for the study of earth materials. In contrast to X-rays, neutrons have very low absorption cross-sections for most elements so that entire bulk samples of considerable size can be 'illuminated' by the neutron beam. Similarly, samples that are optically opaque can be readily investigated by inelastic neutron scattering techniques. Neutrons are equally sensitive to light atoms as to heavy atoms, and can, for example, readily distinguish between Al and Si, neighboring atoms in the periodic table that are difficult to tell apart by X-ray diffraction. Finally, neutrons are particularly sensitive to hydrogen and thus can be used to study the motions, both vibrational and diffusive, of H-containing molecules in rocks, most notably of course, water. Our studies were primarily studies of guest molecules (in our case, water) in

  3. Neutron scattering studies of crude oil viscosity reduction with electric field

    NASA Astrophysics Data System (ADS)

    Du, Enpeng

    Small-angle neutron scattering (SANS) is a very powerful laboratory technique for micro structure research which is similar to the small angle X-ray scattering (SAXS) and light scattering for microstructure investigations in various materials. In small-angle neutron scattering (SANS) technique, the neutrons are elastically scattered by changes of refractive index on a nanometer scale inside the sample through the interaction with the nuclei of the atoms present in the sample. Because the nuclei of all atoms are compact and of comparable size, neutrons are capable of interacting strongly with all atoms. This is in contrast to X-ray techniques where the X-rays interact weakly with hydrogen, the most abundant element in most samples. The SANS refractive index is directly related to the scattering length density and is a measure of the strength of the interaction of a neutron wave with a given nucleus. It can probe inhomogeneities in the nanometer scale from 1nm to 1000nm. Since the SANS technique probes the length scale in a very useful range, this technique provides valuable information over a wide variety of scientific and technological applications, including chemical aggregation, defects in materials, surfactants, colloids, ferromagnetic correlations in magnetism, alloy segregation, polymers, proteins, biological membranes, viruses, ribosome and macromolecules. Quoting the Nobel committee, when awarding the prize to C. Shull and B. Brockhouse in 1994: "Neutrons tell you where the atoms are and what the atoms do". At NIST, there is a single beam of neutrons generated from either reactor or pulsed neutron source and selected by velocity selector. The beam passes through a neutron guide then scattered by the sample. After the sample chamber, there are 2D gas detectors to collect the elastic scattering information. SANS usually uses collimation of the neutron beam to determine the scattering angle of a neutron, which results in an even lower signal-to-noise ratio for

  4. Early Years of Neutron Scattering and Its Manpower Development in Indonesia

    NASA Astrophysics Data System (ADS)

    Marsongkohadi

    2008-03-01

    In this paper I shall give a short history of the development of neutron scattering at the Research Centre for Nuclear Techniques (PPTN), in Bandung, and the early development of a more advanced facilities at the Neutron Scattering Laboratory (NSL BATAN), Centre of Technology for Nuclear Industrial Materials, in Serpong. The first research reactor in Indonesia was the TRIGA MARK II in Bandung, which became operational in 1965, with a power of 250 KW, upgraded to 1 MW in 1971, and to 2 MW in 2000. The neutron scattering activities was started in 1967, with the design and construction of the first powder diffractometer, and put in operation in 1970. It was followed by the second instrument, the filter detector spectrometer built in 1975 in collaboration with the Bhabha Atomic Research Centre (BARC), India. A powder diffractometer for magnetic studies was built in 1980, and finally, a modification of the filter detector spectrometer to measure textures was made in 1986. A brief description of the design and construction of the instruments, and a highlight of some research topics will be presented. Early developments of neutron scattering activities at the 30 MW, RSG-GAS reactor in Serpong in choosing suitable research program, which will be mainly centred around materials testing/characterization, and materials/condensed matter researches has been agreed. Instrument planning and layout which were appropriate to carry out the program had been decided. Manpower development for the neutron scattering laboratory is a severe problem. The efforts to overcome this problem has been solved. International Cooperation through workshops and on the job trainings also support the supply of qualified manpower.

  5. Early Years of Neutron Scattering and Its Manpower Development in Indonesia

    SciTech Connect

    Marsongkohadi

    2008-03-17

    In this paper I shall give a short history of the development of neutron scattering at the Research Centre for Nuclear Techniques (PPTN), in Bandung, and the early development of a more advanced facilities at the Neutron Scattering Laboratory (NSL BATAN), Centre of Technology for Nuclear Industrial Materials, in Serpong. The first research reactor in Indonesia was the TRIGA MARK II in Bandung, which became operational in 1965, with a power of 250 KW, upgraded to 1 MW in 1971, and to 2 MW in 2000. The neutron scattering activities was started in 1967, with the design and construction of the first powder diffractometer, and put in operation in 1970. It was followed by the second instrument, the filter detector spectrometer built in 1975 in collaboration with the Bhabha Atomic Research Centre (BARC), India. A powder diffractometer for magnetic studies was built in 1980, and finally, a modification of the filter detector spectrometer to measure textures was made in 1986. A brief description of the design and construction of the instruments, and a highlight of some research topics will be presented. Early developments of neutron scattering activities at the 30 MW, RSG-GAS reactor in Serpong in choosing suitable research program, which will be mainly centred around materials testing/characterization, and materials/condensed matter researches has been agreed. Instrument planning and layout which were appropriate to carry out the program had been decided. Manpower development for the neutron scattering laboratory is a severe problem. The efforts to overcome this problem has been solved. International Cooperation through workshops and on the job trainings also support the supply of qualified manpower.

  6. A neutron detector to monitor the intensity of transmitted neutrons for small-angle neutron scattering instruments

    NASA Astrophysics Data System (ADS)

    De Lurgio, Patrick M.; Klann, Raymond T.; Fink, Charles L.; McGregor, Douglas S.; Thiyagarajan, Pappannan; Naday, Istvan

    2003-06-01

    A semiconductor-based neutron detector was developed at Argonne National Laboratory (ANL) for use as a neutron beam monitor for small-angle neutron scattering instruments. The detector is constructed using a coating of 10B on a gallium-arsenide semiconductor detector and is mounted directly within a cylindrical (2.2 cm dia. and 4.4 cm long) enriched 10B 4C beam stop in the time-of-flight Small Angle Neutron Diffractometer (SAND) instrument at the Intense Pulsed Neutron Source (IPNS) facility at ANL. The neutron beam viewed by the SAND is from a pulsed spallation source moderated by a solid methane moderator that produces useful neutrons in the wavelength range of 0.5-14 Å. The SAND instrument uses all detected neutrons in the above wavelength range sorted by time-of-flight into 68 constant Δ T/ T=0.05 channels. This new detector continuously monitors the transmitted neutron beam through the sample during scattering measurements and takes data concurrently with the other detectors in the instrument. The 10B coating on the GaAs detector allows the detection of the cold neutron spectrum with reasonable efficiency. This paper describes the details of the detector fabrication, the beam stop monitor design, and includes a discussion of results from preliminary tests using the detector during several run cycles at the IPNS.

  7. Charge-dependent conformations and dynamics of pamam dendrimers revealed by neutron scattering and molecular dynamics

    NASA Astrophysics Data System (ADS)

    Wu, Bin

    Neutron scattering and fully atomistic molecular dynamics (MD) are employed to investigate the structural and dynamical properties of polyamidoamine (PAMAM) dendrimers with ethylenediamine (EDA) core under various charge conditions. Regarding to the conformational characteristics, we focus on scrutinizing density profile evolution of PAMAM dendrimers as the molecular charge of dendrimer increases from neutral state to highly charged condition. It should be noted that within the context of small angle neutron scattering (SANS), the dendrimers are composed of hydrocarbon component (dry part) and the penetrating water molecules. Though there have been SANS experiments that studied the charge-dependent structural change of PAMAM dendrimers, their results were limited to the collective behavior of the aforementioned two parts. This study is devoted to deepen the understanding towards the structural responsiveness of intra-molecular polymeric and hydration parts separately through advanced contrast variation SANS data analysis scheme available recently and unravel the governing principles through coupling with MD simulations. Two kinds of acids, namely hydrochloric and sulfuric acids, are utilized to tune the pH condition and hence the molecular charge. As far as the dynamical properties, we target at understanding the underlying mechanism that leads to segmental dynamic enhancement observed from quasielstic neutron scattering (QENS) experiment previously. PAMAM dendrimers have a wealth of potential applications, such as drug delivery agency, energy harvesting medium, and light emitting diodes. More importantly, it is regarded as an ideal system to test many theoretical predictions since dendrimers conjugate both colloid-like globular shape and polymer-like flexible chains. This Ph.D. research addresses two main challenges in studying PAMAM dendrimers. Even though neutron scattering is an ideal tool to study this PAMAM dendrimer solution due to its matching temporal and

  8. Characteristic Features of Water Dynamics in Restricted Geometries Investigated with Quasi-Elastic Neutron Scattering

    DOE PAGESBeta

    Osti, Naresh C.; Mamontov, Eugene; Ramirez-cuesta, A.; Wesolowski, David J.; Diallo, S. O.

    2015-12-10

    Understanding the molecular behavior of water in spatially restricted environments is important to better understanding its role in many biological, chemical and geological processes. Here we examine the translational diffusion of water confined to a variety of substrates, from flat surfaces to nanoporous media, in the context of a recently proposed universal scaling law (Chiavazzo 2014) [1]. Using over a dozen previous neutron scattering results, we test the validity of this law, evaluating separately the influence of the hydration amount, and the effects of the size and morphology of the confining medium. Additionally, we investigate the effects of changing instrumentmore » resolutions and fitting models on the applicability of this law. Finally, we perform quasi-elastic neutron scattering measurements on water confined inside nanoporous silica to further evaluate this predictive law, in the temperature range 250≤T≤290 K.« less

  9. X-ray and neutron scattering studies of complex confined fluids.

    SciTech Connect

    Sinha, S. K.

    1999-08-04

    We review recent X-ray and neutron scattering studies of the structure and dynamics of confined complex fluids. This includes the study of polymer conformations and binary fluid phase transitions in porous media using Small Angle Neutron scattering, and the use of synchrotrons radiation to study ordering and fluctuation phenomena at solid/liquid and liquid/air interfaces. Ordering of liquids near a solid surface or in confinement will be discussed, and the study, via specular and off-specular X-ray reflectivity, of capillary wave fluctuations on liquid polymer films. Finally, we shall discuss the use of high-brilliance beams from X-ray synchrotrons to study via photon correlation spectroscopy the slow dynamics of soft condensed matter systems.

  10. Development of the methods for simulating the neutron spectrometers and neutron-scattering experiments

    NASA Astrophysics Data System (ADS)

    Manoshin, S. A.; Belushkin, A. V.; Ioffe, A. I.

    2016-07-01

    Reviewed are the results of simulating the neutron scattering instruments with the program package VITESS upgraded by the routines for treating the polarized neutrons, as developed by the authors. The reported investigations have been carried out at the Frank Laboratory for Neutron Physics at JINR in collaboration with the Juelich research center (Germany). The performance of the resonance and gradient adiabatic spin flippers, the Drabkin resonator, the classical and resonance spin-echo spectrometers, the spin-echo diffractometer for the small-angle neutron scattering, and the spin-echo spectrometer with rotating magnetic fields is successfully modeled. The methods for using the 3D map of the magnetic field from the input file, either mapped experimentally or computed using the finite-elements technique, in the VITESS computer code, are considered in detail. The results of neutron-polarimetry experiments are adequately reproduced by our simulations.

  11. Characteristic Features of Water Dynamics in Restricted Geometries Investigated with Quasi-Elastic Neutron Scattering

    SciTech Connect

    Osti, Naresh C.; Mamontov, Eugene; Ramirez-cuesta, A.; Wesolowski, David J.; Diallo, S. O.

    2015-12-10

    Understanding the molecular behavior of water in spatially restricted environments is important to better understanding its role in many biological, chemical and geological processes. Here we examine the translational diffusion of water confined to a variety of substrates, from flat surfaces to nanoporous media, in the context of a recently proposed universal scaling law (Chiavazzo 2014) [1]. Using over a dozen previous neutron scattering results, we test the validity of this law, evaluating separately the influence of the hydration amount, and the effects of the size and morphology of the confining medium. Additionally, we investigate the effects of changing instrument resolutions and fitting models on the applicability of this law. Finally, we perform quasi-elastic neutron scattering measurements on water confined inside nanoporous silica to further evaluate this predictive law, in the temperature range 250≤T≤290 K.

  12. Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Osti, N. C.; Coté, A.; Mamontov, E.; Ramirez-Cuesta, A.; Wesolowski, D. J.; Diallo, S. O.

    2016-02-01

    Understanding the molecular behavior of water in spatially restricted environments is key to better understanding its role in many biological, chemical and geological processes. Here we examine the translational diffusion of water confined to a variety of substrates, from flat surfaces to nanoporous media, in the context of a recently proposed universal scaling law (Chiavazzo 2014) [1]. Using over a dozen previous neutron scattering results, we test the validity of this law, evaluating separately the influence of the hydration amount, and the effects of the size and morphology of the confining medium. Additionally, we investigate the effects of changing instrument resolutions and fitting models on the applicability of this law. Finally, we perform quasi-elastic neutron scattering measurements on water confined inside nanoporous silica to further evaluate this predictive law, in the temperature range 250 ⩽ T ⩽ 290 K.

  13. Neutron scattering study of the phases of TTF-TCNQ below 5 kbar

    SciTech Connect

    Fincher, C.R. Jr.; Shirane, G.; Comes, R.; Garito, A.F.

    1980-06-01

    Recent transport data by Friend et al. and elastic neutron scattering data from Megtert et al. have shown a variety of interesting changes in the low-temperature properties of tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) when under high pressure. As a further elucidation of this problem, we have used elastic neutron scattering to make a more detailed study of the pressure-temperature phase diagram up to pressures of 4.75 kbar. We report the pressure dependence of the structural transitions which occur at 49 and 38 K at P=1 bar. In addition, we describe a new low-temperature phase found for 3.25

  14. Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation

    SciTech Connect

    Chen, Wei-Ren; Do, Changwoo; Hong, Kunlun; Liu, Emily; Liu, Yun; Porcar, L.; Smith, Gregory Scott; Wu, Bin; Egami, T; Smith, Sean C

    2012-01-01

    Based on atomistic molecular dynamics (MD) simulations, the small angle neutron scattering (SANS) intensity behavior of a single generation-4 (G4) polyelectrolyte polyamidoamine (PAMAM) starburst dendrimer is investigated at different levels of molecular protonation. The SANS form factor, P(Q), and Debye autocorrelation function, (r), are calculated from the equilibrium MD trajectory based on a mathematical approach proposed in this work which provides a link between the neutron scattering experiment and MD computation. The simulations enable scattering calculations of not only the hydrocarbons, but also the contribution to the scattering length density fluctuations caused by structured, confined water within the dendrimer. Based on our computational results, we question the validity of using radius of gyration RG for microstructure characterization of a polyelectrolyte dendrimer from the scattering perspective.

  15. Quasielastic neutron scattering experiments including activation energies and mathematical modeling of methyl halide dynamics

    NASA Astrophysics Data System (ADS)

    Kirstein, O.; Prager, M.; Grimm, H.; Buchsteiner, A.; Wischnewski, A.

    2007-09-01

    Quasielastic neutron scattering experiments were carried out using the multichopper time-of-flight spectrometer V3 at the Hahn-Meitner Institut, Germany and the backscattering spectrometer at Forschungszentrum Jülich, Germany. Activation energies for CH3X, X =F, Cl, Br, and I, were obtained. In combination with results from previous inelastic neutron scattering experiments the data were taken to describe the dynamics of the halides in terms of two different models, the single particle model and the coupling model. Coupled motions of methyl groups seem to explain the dynamics of the methyl fluoride and chloride; however, the coupling vanishes with the increase of the mass of the halide atom in CH3Br and CH3I.

  16. Development and prospects of Very Small Angle Neutron Scattering (VSANS) techniques

    NASA Astrophysics Data System (ADS)

    Xuo, Tai-Sen; Cheng, He; Chen, Yuan-Bo; Wang, Fang-Wei

    2016-07-01

    Very Small Angle Neutron Scattering (VSANS) is an upgrade of the traditional Small Angle Neutron Scattering (SANS) technique which can cover three orders of magnitude of length scale from one nanometer to one micrometer. It is a powerful tool for structure calibration in polymer science, biology, material science and condensed matter physics. Since the first VSANS instrument, D11 in Grenoble, was built in 1972, new collimation techniques, focusing optics (multi-beam converging apertures, material or magnetic lenses, and focusing mirrors) and higher resolution detectors combined with the long flight paths and long incident neutron wavelengths have been developed. In this paper, a detailed review is given of the development, principles and application conditions of various VSANS techniques. Then, beam current gain factors are calculated to evaluate those techniques. A VSANS design for the China Spallation Neutron Source (CSNS) is thereby presented. Supported by National Natural Science Foundation of China (21474119, 11305191)

  17. Solution properties of a CO{sub 2}-soluble fluoropolymer via small angle neutron scattering

    SciTech Connect

    McClain, J.B.; Combes, J.R.; Romack, T.J.; Canelas, D.A.; Betts, D.E.; Samulski, E.T.; DeSimone, J.M.; Londono, D.; Wignall, G.D.

    1996-01-31

    In this communication, we report the first characterization of solutions of a high molecular weight polymer in supercritical CO{sub 2} by small-angle neutron scattering (SANS). It is shown that small-angle neutron scattering gives key molecular parameters of an amorphous fluoropolymer in supercritical CO{sub 2}, i.e., the molecular weight, radius of gyration, and second virial coefficient, and thereby gives insights into a polymer chain`s behavior in this unique solvent. The positive sign of the second virial coefficients indicate that this medium is a good solvent - there is no evidence of a collapsed chain conformation. In fact, we conclude from the SANS data that, in CO{sub 2}, the poly(FOA) chain dimensions are expanded relative to those characteristic of its melt. 29 refs., 2 figs., 1 tab.

  18. Effects of Pressure on Stability of Biomolecules in Solutions Studied by Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Bellissent-Funel, Marie-Claire-; Appavou, Marie-Sousai; Gibrat, Gabriel

    Studies of the pressure dependence on protein structure and dynamics contribute not only to the basic knowledge of biological molecules but have also a considerable relevance in full technology, like in food sterilization and pharmacy. Conformational changes induced by pressure as well as the effects on the protein stability have been mostly studied by optical techniques (optical absorption, fluorescence, phosphorescence), and by NMR. Most optical techniques used so far give information related to the local nature of the used probe (fluorescent or phosphorescent tryptophan). Small angle neutron scattering and quasi-elastic neutron scattering provide essential complementary information to the optical data, giving quantitative data on change of conformation of soluble globular proteins such as bovine pancreatic trypsin inhibitor (BPTI) and on the mobility of protons belonging to the protein surface residues.

  19. Elastic properties of polymer-doped dilute lamellar phases: A small-angle neutron scattering study

    NASA Astrophysics Data System (ADS)

    Ficheux, M.-F.; Bellocq, A.-M.; Nallet, F.

    2001-03-01

    We investigate experimentally, using small-angle neutron scattering the elastic properties of polymer-doped dilute lamellar phases. In our system the polymer is water-soluble but nevertheless partially adsorbs onto the negatively charged surfactant bilayers. The effective polymer-mediated interaction between bilayers is less repulsive than the weakly screened electrostatic interaction that prevails at zero polymer content. It even becomes attractive in some regions of the phase diagram. Small-angle neutron scattering allows us to measure directly the Caillé exponent η characterizing the bilayer fluctuations in lamellar (smectic A) phases, and thus indirectly estimate the compression modulus bar{B} as a measure of the strength of the bilayer-bilayer interactions. The compression modulus appears to be vanishing at a point located on the lamellar-lamellar phase separation boundary, a candidate critical point.

  20. Outline of a proposal for a new neutron source: The pulsed neutron research facility

    SciTech Connect

    Brown, B.S.; Carpenter, J.M.; Kustom, R.L.

    1992-04-01

    Accelerator-based, pulsed spallation neutron sources have been performing neutron scattering research for about fifteen years. During this time beam intensities have increased by a factor of 100 and more than 50 spectrometers are now operating on four major sources worldwide. The pulsed sources have proven to be highly effective and complementary to reactor-based sources in that there are important scientific areas for which each type of source has unique capabilities. We describe a proposal for a new pulsed neutron facility based on a Fixed Field Alternating Gradient synchrotron. The specifications for this new machine, which are now only being formulated, are for an accelerator that will produce (100 {divided_by} 200) {mu}A of time-averaged proton current at (500 {divided_by} 1000) MeV, in short pulses at 30 Hz. Appropriate target and moderator systems and an array of scattering instruments will be provided to make the facility a full-blown research installation. The neutron source, named the Pulsed Neutron Research Facility (PNRF), will be as powerful as any pulsed source now operating in the world and will also act as a test bed for the Fixed Field Alternating Gradient Synchrotron concept as a basis for more powerful sources in the future. The peak thermal neutron flux in PNRF will be about 5{center_dot}10{sup 15}n/cm{sup 2}{center_dot}s.

  1. Outline of a proposal for a new neutron source: The pulsed neutron research facility

    SciTech Connect

    Brown, B.S.; Carpenter, J.M.; Kustom, R.L.

    1992-04-01

    Accelerator-based, pulsed spallation neutron sources have been performing neutron scattering research for about fifteen years. During this time beam intensities have increased by a factor of 100 and more than 50 spectrometers are now operating on four major sources worldwide. The pulsed sources have proven to be highly effective and complementary to reactor-based sources in that there are important scientific areas for which each type of source has unique capabilities. We describe a proposal for a new pulsed neutron facility based on a Fixed Field Alternating Gradient synchrotron. The specifications for this new machine, which are now only being formulated, are for an accelerator that will produce (100 {divided by} 200) {mu}A of time-averaged proton current at (500 {divided by} 1000) MeV, in short pulses at 30 Hz. Appropriate target and moderator systems and an array of scattering instruments will be provided to make the facility a full-blown research installation. The neutron source, named the Pulsed Neutron Research Facility (PNRF), will be as powerful as any pulsed source now operating in the world and will also act as a test bed for the Fixed Field Alternating Gradient Synchrotron concept as a basis for more powerful sources in the future. The peak thermal neutron flux in PNRF will be about 5{center dot}10{sup 15}n/cm{sup 2}{center dot}s.

  2. Neutron scattering effects on fusion ion temperature measurements.

    SciTech Connect

    Ziegler, Lee; Starner, Jason R.; Cooper, Gary Wayne; Ruiz, Carlos L.; Franklin, James Kenneth; Casey, Daniel T.

    2006-06-01

    To support the nuclear fusion program at Sandia National Laboratories (SNL), a consistent and verifiable method to determine fusion ion temperatures needs to be developed. Since the fusion temperature directly affects the width in the spread of neutron energies produced, a measurement of the neutron energy width can yield the fusion temperature. Traditionally, the spread in neutron energies is measured by using time-of-flight to convert a spread in neutron energies at the source to a spread in time at detector. One potential obstacle to using this technique at the Z facility at SNL is the need to shield the neutron detectors from the intense bremsstrahlung produced. The shielding consists of eight inches of lead and the concern is that neutrons will scatter in the lead, artificially broaden the neutron pulse width and lead to an erroneous measurement. To address this issue, experiments were performed at the University of Rochester's Laboratory for Laser Energetics, which demonstrated that a reliable ion temperature measurement can be achieved behind eight inches of lead shielding. To further expand upon this finding, Monte Carlo N-Particle eXtended (MCNPX) was used to simulate the experimental geometric conditions and perform the neutron transport. MCNPX was able to confidently estimate results observed at the University of Rochester.

  3. Neutron scattering studies in the actinide region. Progress report, August 1, 1988--July 31, 1991

    SciTech Connect

    Beghian, L.E.; Kegel, G.H.R.

    1991-08-01

    During the report period we have investigated the following areas: Neutron elastic and inelastic scattering measurements on {sup 14}N, {sup 181}Ta, {sup 232}Th, {sup 238}U and {sup 239}Pu; Prompt fission spectra for {sup 232}Th, {sup 235}U, {sup 238}U and {sup 239}Pu; Theoretical studies of neutron scattering; Neutron filters; New detector systems; and Upgrading of neutron target assembly, data acquisition system, and accelerator/beam-line apparatus.

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

    NASA Astrophysics Data System (ADS)

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

    1992-10-01

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

  5. Reversible membrane reorganizations during photosynthesis in vivo: revealed by small-angle neutron scattering.

    PubMed

    Nagy, Gergely; Posselt, Dorthe; Kovács, László; Holm, Jens K; Szabó, Milán; Ughy, Bettina; Rosta, László; Peters, Judith; Timmins, Peter; Garab, Gyozo

    2011-06-01

    In the present study, we determined characteristic repeat distances of the photosynthetic membranes in living cyanobacterial and eukaryotic algal cells, and in intact thylakoid membranes isolated from higher plants with time-resolved small-angle neutron scattering. This non-invasive technique reveals light-induced reversible reorganizations in the seconds-to-minutes time scale, which appear to be associated with functional changes in vivo. PMID:21473741

  6. Characterization of `strong-fragile' behaviour of glass-forming aqueous solutions by neutron scattering

    NASA Astrophysics Data System (ADS)

    Branca, C.; Faraone, A.; Galli, G.; Magazu', S.; Maisano, G.; Migliardo, F.

    Neutron-scattering measurements have been performed on trehalose/H2O and sucrose/H2O mixtures by using the spectrometer MIBEMOL at the Laboratoire Leon Brillouin (LLB, Saclay) as a function of temperature and concentration. In order to characterize the different rigidities of both the disaccharide/H2O mixtures, we have evaluated the R1(Tg) parameter connected to the `strong-fragile' classification of the systems according to Angell's nomenclature.

  7. Neutron Scattering and the 30 S Ribosomal Subunit of E. Coli

    DOE R&D Accomplishments Database

    Moore, P. B.; Engelman, D. M.; Langer, J. A.; Ramakrishnan, V. R.; Schindler, D. G.; Schoenborn, B. P.; Sillers, I. Y.; Yabuki, S.

    1982-06-01

    This paper reviews the progress made in the study of the internal organization of the 30 S ribosomal subunit of E. coli by neutron scattering since 1975. A map of that particle showing the position of 14 of the subunit's 21 proteins is presented, and the methods currently used for collecting and analyzing such data are discussed. Also discussed is the possibility of extending the interpretation of neutron mapping data beyond the limits practical today.

  8. Effect of the concentration of inhomogeneities on the multiple small-angle neutron scattering

    SciTech Connect

    Abov, Yu. G.; Dzheparov, F. S.; Elyutin, N. O.; Lvov, D. V. Tyulyusov, A. N.

    2013-03-15

    The interference effects manifested during multiple small-angle neutron scattering (MSANS) on a chaotically arranged close-packed ensemble of scatterers have been studied. MSANS measurements have been performed for mixtures of Al and Ti-Zr alloy powders. It is shown that the results can be satisfactorily described based on a theory that takes into account spatial correlations in the arrangement of powder grains.

  9. Pore size distribution of shaley rock by small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Hall, P. L.; Mildner, D. F. R.; Borst, R. L.

    1983-08-01

    Information concerning pore microstructure of shaly rocks is of considerable relevance to petroleum exploration and production. Pore sizes and distributions within shaly samples have been determined by small angle neutron scattering. The data are indicative of a considerable spread of pore dimension, showing inhomogeneities with a range from 20 Å and greater. The cumulative pore volumes are compared with those derived from mercury intrusion porosimetry and nitrogen adsorption and desorption isotherms.

  10. Pore size distribution of shaly rock by small angle neutron scattering

    SciTech Connect

    Hall, P.L.; Mildner, D.F.R.; Borst, R.L.

    1983-08-01

    Information concerning pore microstructure of shaly rocks is of considerable relevance to petroleum exploration and production. Pore sizes and distributions within shaly samples have been determined by small angle neutron scattering. The data are indicative of a considerable spread of pore dimension, showing inhomogeneities with a range from 20 A and greater. The cumulative pore volumes are compared with those derived from mercury intrusion porosimetry and nitrogen adsorption and desorption isotherms.

  11. Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation

    SciTech Connect

    Petridis, Loukas; Pingali, Sai Venkatesh; Urban, Volker; Heller, William T; O'Neill, Hugh Michael; Foston, Marcus B; Ragauskas, Arthur J; Smith, Jeremy C

    2011-01-01

    Lignin, a major polymeric component of plant cell walls, forms aggregates in vivo and poses a barrier to cellulosic ethanol production. Here, neutron scattering experiments and molecular dynamics simulations reveal that lignin aggregates are characterized by a surface fractal dimension that is invariant under change of scale from 1 1000 A. The simulations also reveal extensive water penetration of the aggregates and heterogeneous chain dynamics corresponding to a rigid core with a fluid surface.

  12. Functional materials analysis using in situ and in operando X-ray and neutron scattering.

    PubMed

    Peterson, Vanessa K; Papadakis, Christine M

    2015-03-01

    In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering and analysis. Examples are given covering a number of important materials areas, alongside a description of the types of information that can be obtained and the experimental setups used to acquire them. PMID:25866665

  13. Neutron beam characterization measurements at the Manuel Lujan Jr. neutron scattering center

    SciTech Connect

    Mocko, Michal; Muhrer, Guenter; Daemen, Luke L; Kelsey, Charles T; Duran, Michael A; Tovesson, Fredrik K

    2010-01-01

    We have measured the neutron beam characteristics of neutron moderators at the Manuel Lujan Jr. Neutron Scattering Center at LANSCE. The absolute thermal neutron flux, energy spectra and time emission spectra were measured for the high resolution and high intensity decoupled water, partially coupled liquid hydrogen and partially coupled water moderators. The results of our experimental study will provide an insight into aging of different target-moderator-reflector-shield components as well as new experimental data for benchmarking of neutron transport codes.

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

    SciTech Connect

    Niedziela, Jennifer L; Stone, Matthew B

    2014-01-01

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

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

    SciTech Connect

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

    2014-09-08

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

  16. Two-dimensional position-sensitive detectors for small-angle neutron scattering

    SciTech Connect

    McElhaney, S.A.; Vandermolen, R.I.

    1990-05-01

    In this paper, various detectors available for small angle neutron scattering (SANS) are discussed, along with some current developments being actively pursued. A section has been included to outline the various methodologies of position encoding/decoding with discussions on trends and limitations. Computer software/hardware vary greatly from institute and experiment and only a general discussion is given to this area. 85 refs., 33 figs.

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

    PubMed

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

    2016-01-01

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

  18. Quasielastic neutron scattering from adsorbed water molecules on pyrogenic silica surfaces

    NASA Astrophysics Data System (ADS)

    Tumanov, A. A.; Zarko, V. I.

    1994-04-01

    Quasielastic neutron scattering (QNS) from hydrated samples of high dispersion (Aerosil) and of porous dioxide silicon was investigated. The broadening of the QNS peak analysis permits one to obtain the effective diffusion coefficient D of adsorbed water molecules. It was obtained that the D-value increases with silica hydration. The mean square displacement of the water molecules from equilibrium < x2> equals approximately 0.1 Å 2 and does not depend on the quantity of adsorbed water.

  19. Functional materials analysis using in situ and in operando X-ray and neutron scattering

    PubMed Central

    Peterson, Vanessa K.; Papadakis, Christine M.

    2015-01-01

    In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering and analysis. Examples are given covering a number of important materials areas, alongside a description of the types of information that can be obtained and the experimental setups used to acquire them. PMID:25866665

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

    NASA Astrophysics Data System (ADS)

    Murasik, A.; Furrer, A.

    1980-10-01

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

  1. Diffraction limit of the theory of multiple small-angle neutron scattering by a dense system of scatterers

    NASA Astrophysics Data System (ADS)

    Dzheparov, F. S.; Lvov, D. V.

    2016-02-01

    Multiple small-angle neutron scattering by a high-density system of inhomogeneities has been considered. A combined approach to the analysis of multiple small-angle neutron scattering has been proposed on the basis of the synthesis of the Zernike-Prince and Moliére formulas. This approach has been compared to the existing multiple small-angle neutron scattering theory based on the eikonal approximation. This comparison has shown that the results in the diffraction limit coincide, whereas differences exist in the refraction limit because the latter theory includes correlations between successive scattering events. It has been shown analytically that the existence of correlations in the spatial position of scatterers results in an increase in the number of unscattered neutrons. Thus, the narrowing of spectra of multiple small-angle neutron scattering observed experimentally and in numerical simulation has been explained.

  2. ACCELERATOR BASED CONTINUOUS NEUTRON SOURCE.

    SciTech Connect

    SHAPIRO,S.M.; RUGGIERO,A.G.; LUDEWIG,H.

    2003-03-25

    Until the last decade, most neutron experiments have been performed at steady-state, reactor-based sources. Recently, however, pulsed spallation sources have been shown to be very useful in a wide range of neutron studies. A major review of neutron sources in the US was conducted by a committee chaired by Nobel laureate Prof. W. Kohn: ''Neutron Sources for America's Future-BESAC Panel on Neutron Sources 1/93''. This distinguished panel concluded that steady state and pulsed sources are complementary and that the nation has need for both to maintain a balanced neutron research program. The report recommended that both a new reactor and a spallation source be built. This complementarity is recognized worldwide. The conclusion of this report is that a new continuous neutron source is needed for the second decade of the 20 year plan to replace aging US research reactors and close the US neutron gap. it is based on spallation production of neutrons using a high power continuous superconducting linac to generate protons impinging on a heavy metal target. There do not appear to be any major technical challenges to the building of such a facility since a continuous spallation source has been operating in Switzerland for several years.

  3. An investigation of mathematical tools for data reduction techniques in neutron scattering experiments

    SciTech Connect

    Venugopal, R.

    1992-01-01

    Advanced mathematical tools have been developed for calculating corrections that are applied to neutron scattering data in order to account for the finite size of the scattering samples. The multiple scattering events (due to finite size) that occur in a neutron scattering experiment typically comprise 8 to 10% of the total measured scattering events. A Monte Carlo program was developed to simulate the disk geometry arrangement used in the Lowell neutron scattering experiments. A modern random number generator which passes all known randomness tests was implemented in the Monte Carlo program. A direction-biasing method was applied in order to improve the statistical results of the Monte Carlo simulation. The ratio of the probability of n + 1 scatterings to n scatterings was investigated for the disk geometry. The Monte Carlo calculation was also used to simulate the time-of-flight spectra and energy spectra. Corrections for multiple scattering were calculated for two sets of data; one at 128 keV and the other at 200 keV. The Monte Carlo results provided significant improvement over previous results. A parallel study was carried out to determine the feasibility of calculating the corrections analytically. Analytical techniques involving eigenfunction expansion, sparse matrix method and the Rayliegh-Ritz variational method were found to be inadequate to solve the problem.

  4. Neutron scattering studies in the actinide region. Progress report, August 1, 1991--July 31, 1994

    SciTech Connect

    Kegel, G.H.R.; Egan, J.J.

    1994-09-01

    During the period August 1, 1991 to July 31, 1994 the authors report progress on the following: (a) prompt fission neutron energy spectra for {sup 235}U and {sup 239}Pu; (b) two-parameter measurement of nuclear lifetimes; (c) `black` neutron detector; (d) data reduction techniques for neutron scattering experiments; (e) elastic and inelastic neutron scattering studies in {sup 197}Au; (f) elastic and inelastic neutron scattering studies in {sup 239}Pu; (g) neutron induced defects in silicon dioxide MOS structures; (h) response of a {sup 235}U fission chamber near reaction thresholds; (i) efficiency calibration of a liquid scintillation detector using the WNR facility at LAMPF; (j) prompt fission neutron energy spectrum measurements below the incident neutron energy; (k) multi-parameter data acquisition system; (l) accelerator improvements; (m) non-DOE supported research. Eight Ph.D. dissertations and two M.S. theses were completed during the report period. Publications consisted of 6 journal articles, 10 conference proceedings, and 19 abstracts of presentations at scientific meetings. One invited talk was given.

  5. Optimizing moderator dimensions for neutron scattering at the spallation neutron source

    SciTech Connect

    Zhao, J. K.; Robertson, J. L.; Herwig, Kenneth W.; Gallmeier, Franz X.; Riemer, Bernard W.

    2013-12-15

    In this work, we investigate the effect of neutron moderator dimensions on the performance of neutron scattering instruments at the Spallation Neutron Source (SNS). In a recent study of the planned second target station at the SNS facility, we have found that the dimensions of a moderator play a significant role in determining its surface brightness. A smaller moderator may be significantly brighter over a smaller viewing area. One of the immediate implications of this finding is that for modern neutron scattering instrument designs, moderator dimensions and brightness have to be incorporated as an integrated optimization parameter. Here, we establish a strategy of matching neutron scattering instruments with moderators using analytical and Monte Carlo techniques. In order to simplify our treatment, we group the instruments into two broad categories: those with natural collimation and those that use neutron guide systems. For instruments using natural collimation, the optimal moderator selection depends on the size of the moderator, the sample, and the moderator brightness. The desired beam divergence only plays a role in determining the distance between sample and moderator. For instruments using neutron optical systems, the smallest moderator available that is larger than the entrance dimension of the closest optical element will perform the best (assuming, as is the case here that smaller moderators are brighter)

  6. Optimizing Moderator Dimensions for Neutron Scattering at the Spallation Neutron Source

    SciTech Connect

    Zhao, Jinkui; Robertson, Lee; Herwig, Kenneth W; Gallmeier, Franz X; Riemer, Bernie

    2013-01-01

    In this work, we investigate the effect of neutron moderator dimensions on the performance of neutron scattering instruments at the Spallation Neutron Source. In a recent study of the planned second target station at the Spallation Neutron Source (SNS) facility [1,2], we have found that the dimensions of a moderator play a significant role in determining its surface brightness. A smaller moderator may be significantly brighter for a smaller viewing area [4]. One of the immediate implications of this finding is that for modern neutron scattering instrument designs, moderator dimensions and brightness have to be incorporated as an integrated optimization parameter. Here, we establish a strategy of matching neutron scattering instruments with moderators using analytical and Monte Carlo techniques. In order to simplify our treatment, we group the instruments into two broad categories, those with natural collimation and those that use neutron guide systems. We found that the cross-sections of the sample and the neutron guide, respectively, are the deciding factors for choosing the moderator. Beam divergence plays no role as long as it is within the reach of practical constraints. Namely, the required divergence is not too large for the guide or sample to be located close enough to the moderator on an actual spallation source.

  7. Optimizing moderator dimensions for neutron scattering at the spallation neutron source.

    PubMed

    Zhao, J K; Robertson, J L; Herwig, Kenneth W; Gallmeier, Franz X; Riemer, Bernard W

    2013-12-01

    In this work, we investigate the effect of neutron moderator dimensions on the performance of neutron scattering instruments at the Spallation Neutron Source (SNS). In a recent study of the planned second target station at the SNS facility, we have found that the dimensions of a moderator play a significant role in determining its surface brightness. A smaller moderator may be significantly brighter over a smaller viewing area. One of the immediate implications of this finding is that for modern neutron scattering instrument designs, moderator dimensions and brightness have to be incorporated as an integrated optimization parameter. Here, we establish a strategy of matching neutron scattering instruments with moderators using analytical and Monte Carlo techniques. In order to simplify our treatment, we group the instruments into two broad categories: those with natural collimation and those that use neutron guide systems. For instruments using natural collimation, the optimal moderator selection depends on the size of the moderator, the sample, and the moderator brightness. The desired beam divergence only plays a role in determining the distance between sample and moderator. For instruments using neutron optical systems, the smallest moderator available that is larger than the entrance dimension of the closest optical element will perform the best (assuming, as is the case here that smaller moderators are brighter). PMID:24387465

  8. Dynamics of crystalline acetanilide: Analysis using neutron scattering and computer simulation

    NASA Astrophysics Data System (ADS)

    Hayward, R. L.; Middendorf, H. D.; Wanderlingh, U.; Smith, J. C.

    1995-04-01

    The unusual temperature dependence of several optical spectroscopic vibrational bands in crystalline acetanilide has been interpreted as providing evidence for dynamic localization. Here we examine the vibrational dynamics of crystalline acetanilide over a spectral range of ˜20-4000 cm-1 using incoherent neutron scattering experiments, phonon normal mode calculations and molecular dynamics simulations. A molecular mechanics energy function is parametrized and used to perform the normal mode analyses in the full configurational space of the crystal i.e., including the intramolecular and intermolecular degrees of freedom. One- and multiphonon incoherent inelastic neutron scattering intensities are calculated from harmonic analyses in the first Brillouin zone and compared with the experimental data presented here. Phonon dispersion relations and mean-square atomic displacements are derived from the harmonic model and compared with data derived from coherent inelastic neutron scattering and neutron and x-ray diffraction. To examine the temperature effects on the vibrations the full, anharmonic potential function is used in molecular dynamics simulations of the crystal at 80, 140, and 300 K. Several, but not all, of the spectral features calculated from the molecular dynamics simulations exhibit temperature-dependent behavior in agreement with experiment. The significance of the results for the interpretation of the optical spectroscopic results and possible improvements to the model are discussed.

  9. Prospect for characterizing interacting soft colloidal structures using spin-echo small angle neutron scattering

    SciTech Connect

    Chen, Wei-Ren; Herwig, Kenneth W; Li, Xin; Liu, Emily; Liu, Yun; Pynn, Roger; Robertson, J. L.; Shew, Chwen-Yang; Smith, Gregory Scott

    2011-01-01

    Spin-echo small angle neutron scattering (SESANS) presents a new experimental tool for structural investigation. Regarding the material study using neutron scattering it is of particular novel: Due to the action of spin echo encoding, SESANS registers the spatial correlations function in real space, which is distinct from the measurables of conventional elastic neutron scattering techniques. To make viable the use of SESANS in structural characterization, particularly for the interacting colloidal suspensions, we have conducted a theoretical study focusing on understanding the essential features of the SESANS correlation functions obtained from different model systems consisting of particles with uniform density profile (J. Chem. Phys. 132, 174509 (2010)). Within the same framework, we continue to explore the prospect of using SESANS to investigate the structural characteristics of colloid systems consisting of particle with non-uniform intra-particle mass distribution. As an example, a Gaussian model of interacting soft colloids is put forward in our mean-field calculations to investigate the manifestation of structural softness in SESANS measurement. The exploration shows a characteristically different SESANS correlation function for interacting soft colloids, in comparison to that of the referential uniform hard sphere system, due to the Abel transform imbedded in the mathematical formalism bridging the SESANS spectra and the spatial autocorrelation.

  10. New high field magnet for neutron scattering at Hahn-Meitner Institute

    NASA Astrophysics Data System (ADS)

    Steiner, M.; Tennant, D. A.; Smeibidl, P.

    2006-11-01

    The Berlin Neutron Scattering Center BENSC at the Hahn-Meitner-Institute (HMI) is a user facility for the study of structure and dynamics of condensed matter with neutrons and synchrotron radiation with special emphasis on experiments under extreme conditions. Neutron scattering is uniquely suited to study magnetic properties on a microscopic length scale, because neutrons have comparable wavelengths and, due to their magnetic moment, they interact with the atomic magnetic moments. Magnetic interactions and magnetic phenomena depend on thermodynamic parameters like magnetic field, temperature and pressure. At HMI special efforts are being made to offer outstanding sample environments such as very low temperatures or high magnetic fields or combination of both. For the future a dedicated instrument for neutron scattering at extreme fields is under construction, the Extreme Environment Diffractometer ExED. For this instrument the existing superconducting magnets as well as a future hybrid system can be used. The highest fields, above 30 T will be produced by the planned series-connected hybrid magnet system, designed and constructed in collaboration with the National High Magnetic Field Laboratory, Tallahassee, FL.

  11. Object-oriented data analysis framework for neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Suzuki, Jiro; Nakatani, Takeshi; Ohhara, Takashi; Inamura, Yasuhiro; Yonemura, Masao; Morishima, Takahiro; Aoyagi, Tetsuo; Manabe, Atsushi; Otomo, Toshiya

    2009-02-01

    Materials and Life Science Facility (MLF) of Japan Proton Accelerator Research Complex (J-PARC) is one of the facilities that provided the highest intensity pulsed neutron and muon beams. The MLF computing environment design group organizes the computing environments of MLF and instruments. It is important that the computing environment is provided by the facility side, because meta-data formats, the analysis functions and also data analysis strategy should be shared among many instruments in MLF. The C++ class library, named Manyo-lib, is a framework software for developing data reduction and analysis softwares. The framework is composed of the class library for data reduction and analysis operators, network distributed data processing modules and data containers. The class library is wrapped by the Python interface created by SWIG. All classes of the framework can be called from Python language, and Manyo-lib will be cooperated with the data acquisition and data-visualization components through the MLF-platform, a user interface unified in MLF, which is working on Python language. Raw data in the event-data format obtained by data acquisition systems will be converted into histogram format data on Manyo-lib in high performance, and data reductions and analysis are performed with user-application software developed based on Manyo-lib. We enforce standardization of data containers with Manyo-lib, and many additional fundamental data containers in Manyo-lib have been designed and developed. Experimental and analysis data in the data containers can be converted into NeXus file. Manyo-lib is the standard framework for developing analysis software in MLF, and prototypes of data-analysis softwares for each instrument are being developed by the instrument teams.

  12. Neutron scattering facility for continuous high magnetic fields up to 40 T at Hahn-Meitner-Institut Berlin

    NASA Astrophysics Data System (ADS)

    Smeibidl, P.; Mezei, F.; Meissner, M.; Prokes, K.; Schröder-Smeibidl, B.; Steiner, M.

    2003-05-01

    The neutron scattering facility BENSC at Hahn-Meitner-Institut offers outstanding research opportunities to the international scientific user community. Experiments on an advanced suite of instruments can be performed in uniquely high magnetic fields up to 17.5 T at temperatures down to 30 mK simultaneously. To further extend the range of continuous magnetic fields for neutron scattering, HMI has proposed a new facility with resistive magnets up to 40 T.

  13. Current Status of the Experiment on Direct Measurement of Neutron-Neutron Scattering Length at the Reactor YAGUAR

    NASA Astrophysics Data System (ADS)

    Furman, W. I.; Muzichka, A. Yu.; Crawford, B. E.; Howell, C. R.; Kandiev, Ya.; Levakov, B. G.; Litvin, V. I.; Lychagin, E. V.; Lyzhin, A. E.; Mitchell, G. E.; Nekhaev, G. V.; Sharapov, E. I.; Shvetsov, V. N.; Stephenson, S. L.; Strelkov, A. V.; Tchernukhin, Yu. I.; Tornow, W.

    2009-03-01

    A new experiment was proposed in 2002 to perform the first direct measurement of neutron-neutron scattering on the powerful pulsed reactor YAGUAR located at Snezhinsk, Ural region, Russia. Extensive efforts were made to model the background conditions and to optimize the set-up design. To make the experiment feasible it was necessary to suppress the background from various origins by more than 16 orders of magnitude for thermal neutrons and 14 orders of magnitude for fast neutrons. In 2003 a channel was drilled under the reactor and equipped for time-of-flight measurements. During the next two years at this channel there were carried out a series of test experiments aimed at verifying the accuracy of the background modeling. Good agreement of the measured results with the calculated values enabled us to make the final design of the full scale set-up. During 2005-2006 the experimental system was manufactured. After vacuum tests at JINR the set-up was mounted at the YAGUAR reactor hall. In 2006-2007 calibration measurements with noble gases were performed. The results confirmed the validity of the modeling of the full scale experiment and verified the calibration. The first preliminary experiments for nn-scattering were performed in April 2008. These recent results are discussed.

  14. Current Status of the Experiment on Direct Measurement of Neutron-Neutron Scattering Length at the Reactor YAGUAR

    SciTech Connect

    Furman, W. I.; Muzichka, A. Yu.; Lychagin, E. V.; Nekhaev, G. V.; Sharapov, E. I.; Shvetsov, V. N.; Strelkov, A. V.; Crawford, B. E.; Stephenson, S. L.; Howell, C. R.; Tornow, W.; Kandiev, Ya.; Levakov, B. G.; Litvin, V. I.; Lyzhin, A. E.; Tchernukhin, Yu. I.; Mitchell, G. E.

    2009-03-31

    A new experiment was proposed in 2002 to perform the first direct measurement of neutron-neutron scattering on the powerful pulsed reactor YAGUAR located at Snezhinsk, Ural region, Russia. Extensive efforts were made to model the background conditions and to optimize the set-up design. To make the experiment feasible it was necessary to suppress the background from various origins by more than 16 orders of magnitude for thermal neutrons and 14 orders of magnitude for fast neutrons. In 2003 a channel was drilled under the reactor and equipped for time-of-flight measurements. During the next two years at this channel there were carried out a series of test experiments aimed at verifying the accuracy of the background modeling. Good agreement of the measured results with the calculated values enabled us to make the final design of the full scale set-up. During 2005-2006 the experimental system was manufactured. After vacuum tests at JINR the set-up was mounted at the YAGUAR reactor hall. In 2006-2007 calibration measurements with noble gases were performed. The results confirmed the validity of the modeling of the full scale experiment and verified the calibration. The first preliminary experiments for nn-scattering were performed in April 2008. These recent results are discussed.

  15. Neutron scattering studies of crude oil viscosity reduction with electric field

    NASA Astrophysics Data System (ADS)

    Du, Enpeng

    Small-angle neutron scattering (SANS) is a very powerful laboratory technique for micro structure research which is similar to the small angle X-ray scattering (SAXS) and light scattering for microstructure investigations in various materials. In small-angle neutron scattering (SANS) technique, the neutrons are elastically scattered by changes of refractive index on a nanometer scale inside the sample through the interaction with the nuclei of the atoms present in the sample. Because the nuclei of all atoms are compact and of comparable size, neutrons are capable of interacting strongly with all atoms. This is in contrast to X-ray techniques where the X-rays interact weakly with hydrogen, the most abundant element in most samples. The SANS refractive index is directly related to the scattering length density and is a measure of the strength of the interaction of a neutron wave with a given nucleus. It can probe inhomogeneities in the nanometer scale from 1nm to 1000nm. Since the SANS technique probes the length scale in a very useful range, this technique provides valuable information over a wide variety of scientific and technological applications, including chemical aggregation, defects in materials, surfactants, colloids, ferromagnetic correlations in magnetism, alloy segregation, polymers, proteins, biological membranes, viruses, ribosome and macromolecules. Quoting the Nobel committee, when awarding the prize to C. Shull and B. Brockhouse in 1994: "Neutrons tell you where the atoms are and what the atoms do". At NIST, there is a single beam of neutrons generated from either reactor or pulsed neutron source and selected by velocity selector. The beam passes through a neutron guide then scattered by the sample. After the sample chamber, there are 2D gas detectors to collect the elastic scattering information. SANS usually uses collimation of the neutron beam to determine the scattering angle of a neutron, which results in an even lower signal-to-noise ratio for

  16. Measurement of the 477.6-keV γ -ray production cross section following inelastic neutron scattering by 7Li

    NASA Astrophysics Data System (ADS)

    Nyman, M.; Belloni, F.; Ichinkhorloo, D.; Pirovano, E.; Plompen, A. J. M.; Rouki, C.

    2016-02-01

    The γ -ray production cross section for the 477.6-keV 1 /2-→3 /2g.s . - transition in 7Li following inelastic neutron scattering has been measured from the reaction threshold up to 18 MeV. This cross section is interesting as a possible standard for other γ -ray production cross-section measurements. The experiment was conducted at the GELINA pulsed white neutron source with the GAINS spectrometer consisting of 12 high-purity germanium detectors. The time-of-flight method was used for neutron energy determination. The sample was an optical-quality lithium fluoride disk and the neutron flux was monitored using a 235U fission chamber. Previous measurements of this cross section are reviewed and compared with our results. Recently, the examined cross section has been calculated using the continuum-discretized coupled-channels method. The results are found to be in reasonable agreement with the experimental data.

  17. Pore accessibility by methane and carbon dioxide in coal as determined by neutron scattering

    SciTech Connect

    He, Lilin; Melnichenko, Yuri B; Mastalerz, Maria; Sakurovs, Richard; Radlinski, Andrzej Pawell; Blach, Tomasz P

    2012-01-01

    Contrast-matching ultrasmall-angle neutron scattering (USANS) and small-angle neutron scattering (SANS) techniques were used for the first time to determine both the total pore volume and the fraction of the pore volume that is inaccessible to deuterated methane, CD{sub 4}, in four bituminous coals in the range of pore sizes between {approx}10 {angstrom} and {approx}5 {micro}m. Two samples originated from the Illinois Basin in the U.S.A., and the other two samples were commercial Australian bituminous coals from the Bowen Basin. The total and inaccessible porosity were determined in each coal using both Porod invariant and the polydisperse spherical particle (PDSP) model analysis of the scattering data acquired from coals both in vacuum and at the pressure of CD{sub 4}, at which the scattering length density of the pore-saturating fluid is equal to that of the solid coal matrix (zero average contrast pressure). The total porosity of the coals studied ranged from 7 to 13%, and the volume of pores inaccessible to CD{sub 4} varied from {approx}13 to {approx}36% of the total pore volume. The volume fraction of inaccessible pores shows no correlation with the maceral composition; however, it increases with a decreasing total pore volume. In situ measurements of the structure of one coal saturated with CO{sub 2} and CD{sub 4} were conducted as a function of the pressure in the range of 1-400 bar. The neutron scattering intensity from small pores with radii less than 35 {angstrom} in this coal increased sharply immediately after the fluid injection for both gases, which demonstrates strong condensation and densification of the invading subcritical CO{sub 2} and supercritical methane in small pores.

  18. High-pressure/low-temperature neutron scattering of gas inclusion compounds: progress and prospects.

    PubMed

    Zhao, Yusheng; Xu, Hongwu; Daemen, Luke L; Lokshin, Konstantin; Tait, Kimberly T; Mao, Wendy L; Luo, Junhua; Currier, Robert P; Hickmott, Donald D

    2007-04-01

    Alternative energy resources such as hydrogen and methane gases are becoming increasingly important for the future economy. A major challenge for using hydrogen is to develop suitable materials to store it under a variety of conditions, which requires systematic studies of the structures, stability, and kinetics of various hydrogen-storing compounds. Neutron scattering is particularly useful for these studies. We have developed high-pressure/low-temperature gas/fluid cells in conjunction with neutron diffraction and inelastic neutron scattering instruments allowing in situ and real-time examination of gas uptake/release processes. We studied the formation of methane and hydrogen clathrates, a group of inclusion compounds consisting of frameworks of hydrogen-bonded H(2)O molecules with gas molecules trapped inside the cages. Our results reveal that clathrate can store up to four hydrogen molecules in each of its large cages with an intermolecular H(2)-H(2) distance of only 2.93 A. This distance is much shorter than that in the solid/metallic hydrogen (3.78 A), suggesting a strong densification effect of the clathrate framework on the enclosed hydrogen molecules. The framework-pressurizing effect is striking and may exist in other inclusion compounds such as metal-organic frameworks (MOFs). Owing to the enormous variety and flexibility of their frameworks, inclusion compounds may offer superior properties for storage of hydrogen and/or hydrogen-rich molecules, relative to other types of compounds. We have investigated the hydrogen storage properties of two MOFs, Cu(3)[Co(CN)(6)](2) and Cu(3)(BTC)(2) (BTC = benzenetricarboxylate), and our preliminary results demonstrate that the developed neutron-scattering techniques are equally well suited for studying MOFs and other inclusion compounds. PMID:17389387

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

    DOE PAGESBeta

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

    2015-11-16

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

  20. Pores in Marcellus Shale: A Neutron Scattering and FIB-SEM Study

    DOE PAGESBeta

    Gu, Xin; Cole, David R.; Rother, Gernot; Mildner, David F. R.; Brantley, Susan L.

    2015-01-26

    The production of natural gas has become more and more important in the United States because of the development of hydraulic fracturing techniques, which significantly increase the permeability and fracture network of black shales. The pore structure of shale is a controlling factor for hydrocarbon storage and gas migration. In this work, we investigated the porosity of the Union Springs (Shamokin) Member of the Marcellus Formation from a core drilled in Centre County, PA, USA, using ultrasmall-angle neutron scattering (USANS), small-angle neutron scattering (SANS), focused ion beam scanning electron microscopy (FIB-SEM), and nitrogen gas adsorption. The scattering of neutrons bymore » Marcellus shale depends on the sample orientation: for thin sections cut in the plane of bedding, the scattering pattern is isotropic, while for thin sections cut perpendicular to the bedding, the scattering pattern is anisotropic. The FIB-SEM observations allow attribution of the anisotropic scattering patterns to elongated pores predominantly associated with clay. The apparent porosities calculated from scattering data from the bedding plane sections are lower than those calculated from sections cut perpendicular to the bedding. A preliminary method for estimating the total porosity from the measurements made on the two orientations is presented. This method is in good agreement with nitrogen adsorption for both porosity and specific surface area measurements. Neutron scattering combined with FIB-SEM reveals that the dominant nanosized pores in organic-poor, clay-rich shale samples are water-accessible sheetlike pores within clay aggregates. In contrast, bubble-like organophilic pores in kerogen dominate organic-rich samples. Lastly, developing a better understanding of the distribution of the water-accessible pores will promote more accurate models of water–mineral interactions during hydrofracturing.« less

  1. Pores in Marcellus Shale: A Neutron Scattering and FIB-SEM Study

    SciTech Connect

    Gu, Xin; Cole, David R.; Rother, Gernot; Mildner, David F. R.; Brantley, Susan L.

    2015-01-26

    The production of natural gas has become more and more important in the United States because of the development of hydraulic fracturing techniques, which significantly increase the permeability and fracture network of black shales. The pore structure of shale is a controlling factor for hydrocarbon storage and gas migration. In this work, we investigated the porosity of the Union Springs (Shamokin) Member of the Marcellus Formation from a core drilled in Centre County, PA, USA, using ultrasmall-angle neutron scattering (USANS), small-angle neutron scattering (SANS), focused ion beam scanning electron microscopy (FIB-SEM), and nitrogen gas adsorption. The scattering of neutrons by Marcellus shale depends on the sample orientation: for thin sections cut in the plane of bedding, the scattering pattern is isotropic, while for thin sections cut perpendicular to the bedding, the scattering pattern is anisotropic. The FIB-SEM observations allow attribution of the anisotropic scattering patterns to elongated pores predominantly associated with clay. The apparent porosities calculated from scattering data from the bedding plane sections are lower than those calculated from sections cut perpendicular to the bedding. A preliminary method for estimating the total porosity from the measurements made on the two orientations is presented. This method is in good agreement with nitrogen adsorption for both porosity and specific surface area measurements. Neutron scattering combined with FIB-SEM reveals that the dominant nanosized pores in organic-poor, clay-rich shale samples are water-accessible sheetlike pores within clay aggregates. In contrast, bubble-like organophilic pores in kerogen dominate organic-rich samples. Lastly, developing a better understanding of the distribution of the water-accessible pores will promote more accurate models of water–mineral interactions during hydrofracturing.

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

    SciTech Connect

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

    2015-11-16

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

  3. Neutrons for Catalysis: A Workshop on Neutron Scattering Techniques for Studies in Catalysis

    SciTech Connect

    Overbury, Steven {Steve} H; Coates, Leighton; Herwig, Kenneth W; Kidder, Michelle

    2011-10-01

    This report summarizes the Workshop on Neutron Scattering Techniques for Studies in Catalysis, held at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on September 16 and 17, 2010. The goal of the Workshop was to bring experts in heterogeneous catalysis and biocatalysis together with neutron scattering experimenters to identify ways to attack new problems, especially Grand Challenge problems in catalysis, using neutron scattering. The Workshop locale was motivated by the neutron capabilities at ORNL, including the High Flux Isotope Reactor (HFIR) and the new and developing instrumentation at the SNS. Approximately 90 researchers met for 1 1/2 days with oral presentations and breakout sessions. Oral presentations were divided into five topical sessions aimed at a discussion of Grand Challenge problems in catalysis, dynamics studies, structure characterization, biocatalysis, and computational methods. Eleven internationally known invited experts spoke in these sessions. The Workshop was intended both to educate catalyst experts about the methods and possibilities of neutron methods and to educate the neutron community about the methods and scientific challenges in catalysis. Above all, it was intended to inspire new research ideas among the attendees. All attendees were asked to participate in one or more of three breakout sessions to share ideas and propose new experiments that could be performed using the ORNL neutron facilities. The Workshop was expected to lead to proposals for beam time at either the HFIR or the SNS; therefore, it was expected that each breakout session would identify a few experiments or proof-of-principle experiments and a leader who would pursue a proposal after the Workshop. Also, a refereed review article will be submitted to a prominent journal to present research and ideas illustrating the benefits and possibilities of neutron methods for catalysis research.

  4. High-pressure/low-temperature neutron scattering of gas inclusion compounds: Progress and prospects

    PubMed Central

    Zhao, Yusheng; Xu, Hongwu; Daemen, Luke L.; Lokshin, Konstantin; Tait, Kimberly T.; Mao, Wendy L.; Luo, Junhua; Currier, Robert P.; Hickmott, Donald D.

    2007-01-01

    Alternative energy resources such as hydrogen and methane gases are becoming increasingly important for the future economy. A major challenge for using hydrogen is to develop suitable materials to store it under a variety of conditions, which requires systematic studies of the structures, stability, and kinetics of various hydrogen-storing compounds. Neutron scattering is particularly useful for these studies. We have developed high-pressure/low-temperature gas/fluid cells in conjunction with neutron diffraction and inelastic neutron scattering instruments allowing in situ and real-time examination of gas uptake/release processes. We studied the formation of methane and hydrogen clathrates, a group of inclusion compounds consisting of frameworks of hydrogen-bonded H2O molecules with gas molecules trapped inside the cages. Our results reveal that clathrate can store up to four hydrogen molecules in each of its large cages with an intermolecular H2–H2 distance of only 2.93 Å. This distance is much shorter than that in the solid/metallic hydrogen (3.78 Å), suggesting a strong densification effect of the clathrate framework on the enclosed hydrogen molecules. The framework-pressurizing effect is striking and may exist in other inclusion compounds such as metal-organic frameworks (MOFs). Owing to the enormous variety and flexibility of their frameworks, inclusion compounds may offer superior properties for storage of hydrogen and/or hydrogen-rich molecules, relative to other types of compounds. We have investigated the hydrogen storage properties of two MOFs, Cu3[Co(CN)6]2 and Cu3(BTC)2 (BTC = benzenetricarboxylate), and our preliminary results demonstrate that the developed neutron-scattering techniques are equally well suited for studying MOFs and other inclusion compounds. PMID:17389387

  5. An inner-crystal neutron-scatter camera: Monte carlo simulation

    NASA Astrophysics Data System (ADS)

    Jo, Ajin; Lee, Wonho

    2016-05-01

    Neutron energy emitted from special nuclear materials (SNMs) can be measured by using neutronproton scattering; also, the scattering angle can be calculated from the ratio of the scattered energy to the incident energy. By using position and energy information, we can image the original source position by using the backprojection and list-mode maximum-likelihood expectation maximization (MLEM) method. In this paper, we propose an inner-crystal neutron scatter camera system in which the detectors are not separated to obtain interactions at a variety of scatter angles; based on this system, we analyzed the characteristics of the corresponding neutron-scattering camera. The factors that affected the neutron-scatter image were the neutron velocity after scattering, the cut-off level of the time of flight (ToF), and the width of the cones used for image reconstruction. To determine the optimal point for the reconstruction of an image, we estimated the performance of the system by using the figure of merit (FoM). The optimal neutron-velocity (d/ToF) was ~0.3 × 107 m/s according to our simulation result, while the optimal cut-off level of the ToF was 4 ns as the latter minimized the noise while maintaining the required efficiency. The widths of the cones ( ɛ) also affected the full width at half maximum (FWHM) and the noise of the image. In terms of a simple source-geometry, whereby concepts such as "point source" were used, a large e value was suitable to achieve noise reduction; however, regarding the complicated source geometry, a small e value was favorable for precise reconstruction of the original source geometry for both the backprojection and the list-mode MLEM methods.

  6. Structure and morphology of charged graphene platelets in solution by small-angle neutron scattering.

    PubMed

    Milner, Emily M; Skipper, Neal T; Howard, Christopher A; Shaffer, Milo S P; Buckley, David J; Rahnejat, K Adam; Cullen, Patrick L; Heenan, Richard K; Lindner, Peter; Schweins, Ralf

    2012-05-23

    Solutions of negatively charged graphene (graphenide) platelets were produced by intercalation of nanographite with liquid potassium-ammonia followed by dissolution in tetrahydrofuran. The structure and morphology of these solutions were then investigated by small-angle neutron scattering. We found that >95 vol % of the solute is present as single-layer graphene sheets. These charged sheets are flat over a length scale of >150 Å in solution and are strongly solvated by a shell of solvent molecules. Atomic force microscopy on drop-coated thin films corroborated the presence of monolayer graphene sheets. Our dissolution method thus offers a significant increase in the monodispersity achievable in graphene solutions. PMID:22574888

  7. Small angle neutron scattering data of polymer electrolyte membranes partially swollen in water

    PubMed Central

    Zhao, Yue; Yoshida, Miru; Oshima, Tatsuya; Koizumi, Satoshi; Rikukawa, Masahiro; Szekely, Noemi; Radulescu, Aurel; Richter, Dieter

    2016-01-01

    In this article, we show the small-angle neutron scattering (SANS) data obtained from the polymer electrolyte membranes (PEMs) equilibrated at a given relative humidity. We apply Hard-Sphere (HS) structure model with Percus–Yervick interference interactions to analyze the dataset. The molecular structure of these PEMs and the morphologies of the fully water-swollen membranes have been elucidated by Zhao et al. “Elucidation of the morphology of the hydrocarbon multi-block copolymer electrolyte membranes for proton exchange fuel cells” [1]. PMID:27054164

  8. Neutron Scattering Study on spin dynamics in superconducting (TlRb)2Fe4Se5

    SciTech Connect

    Chi, Songxue; Ye, Feng; Bao, Wei; Fang, Dr. Minghu; Wang, H.D.; Dong, C.H.; Savici, Andrei T; Granroth, Garrett E; Stone, Matthew B; Fishman, Randy Scott

    2013-01-01

    Spin dynamics in superconducting (Tl,Rb)2Fe4Se5 was investigated using the inelastic neutron scattering technique. Spin wave branches that span an energy range from 6.5 to 209 meV are success- fully described by a Heisenberg model whose dominant interactions include only the in-plane nearest (J1 and J0 1) and next nearest neighbor (J2 and J0 2) exchange terms within and between the tetramer spin blocks, respectively. These exchange constants, experimentally determined in this work, would crucially constrain the diverse theoretical viewpoints on magnetism and superconductivity in the Fe-based materials.

  9. Dynamics of biopolymers on nanomaterials studied by quasielastic neutron scattering and MD simulations

    NASA Astrophysics Data System (ADS)

    Dhindsa, Gurpreet K.

    Neutron scattering has been proved to be a powerful tool to study the dynamics of biological systems under various conditions. This thesis intends to utilize neutron scattering techniques, combining with MD simulations, to develop fundamental understanding of several biologically interesting systems. Our systems include a drug delivery system containing Nanodiamonds with nucleic acid (RNA), and two specific model proteins, beta-Casein and Inorganic Pyrophosphatase (IPPase). RNA and nanodiamond (ND) both are suitable for drug-delivery applications in nano-biotechnology. The architecturally flexible RNA with catalytic functionality forms nanocomposites that can treat life-threatening diseases. The non-toxic ND has excellent mechanical and optical properties and functionalizable high surface area, and thus actively considered for biomedical applications. In this thesis, we utilized two tools, quasielastic neutron scattering (QENS) and Molecular Dynamics Simulations to probe the effect of ND on RNA dynamics. Our work provides fundamental understanding of how hydrated RNA motions are affected in the RNA-ND nanocomposites. From the experimental and Molecular Dynamics Simulation (MD), we found that hydrated RNA motion is faster on ND surface than a freestanding one. MD Simulation results showed that the failure of Stokes Einstein relation results the presence of dynamic heterogeneities in the biomacromolecules. Radial pair distribution function from MD Simulation confirmed that the hydrophilic nature of ND attracts more water than RNA results the de-confinement of RNA on ND. Therefore, RNA exhibits faster motion in the presence of ND than freestanding RNA. In the second project, we studied the dynamics of a natively disordered protein beta-Casein which lacks secondary structures. In this study, the temperature and hydration effects on the dynamics of beta-Casein are explored by Quasielastic Neutron Scattering (QENS). We investigated the mean square displacement (MSD) of

  10. Amorphous soft-magnetic ribbons studied by ultra-small-angle polarized neutron scattering

    NASA Astrophysics Data System (ADS)

    Badurek, G.; Jericha, E.; Grössinger, R.; Sato-Turtelli, R.

    2010-02-01

    When we investigated the magnetic structure of a variety of soft-magnetic amorphous ribbons by means of ultra-small-angle neutron scattering (USANSPOL) we were confronted with one particularly interesting Fe65.7Co18Si0.8B15.5 ribbon, provided by VAC Hanau. Due to a special thermal treatment during production a field- and stress-induced transverse domain texture was expected. Although the USANSPOL technique encountered its resolution limits during the investigation of this specific sample ribbon, such a texture could indeed be verified.

  11. Effective Long-Range Attraction between Protein Molecules in Solutions Studied by Small Angle Neutron Scattering

    SciTech Connect

    Liu Yun; Chen, W.-R.; Chen, S.-H.; Fratini, Emiliano; Baglioni, Piero

    2005-09-09

    Small angle neutron scattering intensity distributions taken from cytochrome C and lysozyme protein solutions show a rising intensity at a very small wave vector Q, which can be interpreted in terms of the presence of a weak long-range attraction between protein molecules. This interaction has a range several times that of the diameter of the protein molecule, much greater than the range of the screened electrostatic repulsion. We show evidence that this long-range attraction is closely related to the type of anion present and ion concentration in the solution.

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

    PubMed

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

    2016-06-29

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

  13. Study of chemically unfolded β-casein by means of small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Aschi, Adel; Gharbi, Abdelhafidh; Daoud, Mohamed; Douillard, Roger; Calmettes, Patrick

    2007-01-01

    β-casein is a flexible amphiphilic milk protein which forms an unfolded conformation in presence of very high denaturant concentrations. The structure of β-casein formed at the bulk was studied by small-angle neutron scattering (SANS). The value of the second virial coefficient of the protein solutions indicates that the interactions between the polypeptide chain and solvent are repulsive. The protein conformation is similar to an excluded volume chain. The corresponding values of the contour length, L, the statistical length, b and the apparent radius of the chain cross-section, Rc are given.

  14. Hydrogen motion in lanthanum hydrides by means of quasielastic neutron scattering

    SciTech Connect

    Karmonik, C.; Udovic, T.J.; Rush, J.J.

    1998-12-31

    The hydrogen dynamics in LaH{sub x} was studied for different concentrations x {ge} 2.5 at different temperatures by quasielastic neutron scattering. The neutron spectra show the existence of both long-range translational diffusion and localized motion. The prefactor of the jump rate for the first process exhibits a maximum around x = 2.75. The radius for the second motion is in agreement with neutron powder diffraction measurements which support a localized motion of H confined in an octahedral site.

  15. Form fluctuations of polymer loaded spherical microemulsions studied by neutron scattering and dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Kuttich, B.; Falus, P.; Grillo, I.; Stühn, B.

    2014-08-01

    We investigate the structure and shell dynamics of the droplet phase in water/AOT/octane microemulsions with polyethyleneglycol (MW = 1500) molecules loaded in the droplets. Size and polydispersity of the droplets is determined with small angle X-ray scattering and small angle neutron scattering experiments. Shell fluctuations are measured with neutron spin echo spectroscopy and related to the dynamic percolation seen in dielectric spectroscopy. Shell fluctuations are found to be well described by the bending modulus of the shell and the viscosities inside and outside the droplets. Addition of the polymer decreases the modulus for small droplets. For large droplets the opposite is found as percolation temperature shifts to higher values.

  16. Neutron Scattering Studies of Pre-Transitional Effects in Solid-Solid Phase Transformations

    SciTech Connect

    Shapiro, S. M.

    1999-06-30

    Neutron scattering studies have played a fundamental role in understanding solid-solid phase transformations, particularly in studying the lattice dynamical behavior associated with precursor effects. A review of the studies performed on solids exhibiting Martensitic transformations is given below. The mode softening and associated elastic diffuse scattering, previously observed in NiAl alloys, will be discussed as well as more recent work on Ni{sub 2}MnGa, a system exhibiting magnetic order as well as a Martensitic transformation. Also, new results on the precursor effects in ordered and disordered FePt alloys will be presented.

  17. Small angle X-ray and neutron scattering on cadmium sulfide nanoparticles in silicate glass

    NASA Astrophysics Data System (ADS)

    Kuznetsova, Yu. V.; Rempel, A. A.; Meyer, M.; Pipich, V.; Gerth, S.; Magerl, A.

    2016-08-01

    Small angle X-ray and neutron scattering on Cd and S doped glass annealed at 600 °C shows after the first 12 h nucleation and growth of spherical CdS nanoparticles with a radius of up to 34±4 Å. After the nucleation is completed after 24 h, further growth in this amorphous environment is governed by oriented particle attachment mechanism as found for a liquid medium. Towards 48 h the particle shape has changed into spheroidal with short and long axis of 40±2 Å and 120±2 Å, respectively.

  18. Polarized Nuclei: From Fundamental Nuclear Physics To Applications In Neutron Scattering and Magnetic Resonance Imaging

    SciTech Connect

    Brandt, B. van den; Hautle, P.; Konter, J. A.; Kurdzesau, F.; Piegsa, F. M.; Urrego-Blanco, J.-P.

    2008-02-06

    The methods of dynamically polarizing nuclei (DNP) have not only lead to the development of increasingly sophisticated polarized targets with which the role of spin in nuclear and particle interactions is investigated, but have also opened new possibilities in neutron science by exploiting the strong spin dependence of the neutron scattering. Very recently NMR and MRI have been a driving force behind a surge of interest in DNP methods, considering its tremendous potential for sensitivity enhancement. An overview of our current projects with dynamically polarized nuclei is given.

  19. Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein

    SciTech Connect

    Hong, Liang; Lindner, Benjamin; Smolin, Nikolai; Sokolov, Alexei P; Smith, Jeremy C

    2011-01-01

    A simplified description of the 295 K dynamics of a globular protein over a wide frequency range (1 1000 GHz) is obtained by combining neutron scattering of lysozyme with molecular dynamics simulation. The molecular dynamics simulation agrees quantitatively with experiment for both the protein and the hydration water and shows that, whereas the hydration water molecules subdiffuse, the protein atoms undergo confined motion decomposable into three distinct classes: localized diffusion, methyl group rotations, and jumps. Each of the three classes gives rise to a characteristic neutron susceptibility signal.

  20. International Conference on Surface X-ray and Neutron Scattering (SXNS-11)

    SciTech Connect

    Michael J. Bedzyk

    2011-06-17

    The 11th International Surface X-ray and Neutron Scattering (SXNS) Conference was held on July 13-17, 2010, on the Northwestern University (NU) campus, in Evanston Illinois and hosted by the NU Materials Research Science and Engineering Center. This biennial conference brought together a community of 164 attendees from 16 countries. The field now makes use of a broad range of new experimental capabilities that have been made possible through the development of increasingly brilliant X-ray and neutron sources around the world, including third generation synchrotron sources, neutron reactor and spallation sources, as well as the recent development of X-ray lasers.

  1. Small angle neutron scattering data of polymer electrolyte membranes partially swollen in water.

    PubMed

    Zhao, Yue; Yoshida, Miru; Oshima, Tatsuya; Koizumi, Satoshi; Rikukawa, Masahiro; Szekely, Noemi; Radulescu, Aurel; Richter, Dieter

    2016-06-01

    In this article, we show the small-angle neutron scattering (SANS) data obtained from the polymer electrolyte membranes (PEMs) equilibrated at a given relative humidity. We apply Hard-Sphere (HS) structure model with Percus-Yervick interference interactions to analyze the dataset. The molecular structure of these PEMs and the morphologies of the fully water-swollen membranes have been elucidated by Zhao et al. "Elucidation of the morphology of the hydrocarbon multi-block copolymer electrolyte membranes for proton exchange fuel cells" [1]. PMID:27054164

  2. Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

    SciTech Connect

    Sakuma, Takashi Makhsun,; Sakai, Ryutaro; Xianglian; Takahashi, Haruyuki; Basar, Khairul; Igawa, Naoki; Danilkin, Sergey A.

    2015-04-16

    Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

  3. Direct Observation Of Nanoparticle-Surfactant Interactions Using Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kumar, Sugam; Aswal, V. K.

    2010-12-01

    Interactions of anionic silica nanoparticles with anionic, cationic and nonionic surfactants have directly been studied by contrast variation small angle neutron scattering (SANS). The measurements are performed on 1 wt% of both silica nanoparticles and surfactants of anionic sodium dodecyle sulphate (SDS), cationic dodecyltrimethyl ammonium bromide (DTAB) and non-ionic polyoxyethylene 10 lauryl ether (C12E10) in aqueous solution. We show that there is no direct interaction in the case of SDS with silica particles, whereas strong interaction for DTAB leads to the aggregation of silica particles. The interaction of C12E10 is found through the micelles adsorbed on the silica particles.

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

    PubMed

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

    2016-07-01

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

  5. Biopolymer deuteration for neutron scattering and other isotope-sensitive techniques.

    PubMed

    Russell, Robert A; Garvey, Christopher J; Darwish, Tamim A; Foster, L John R; Holden, Peter J

    2015-01-01

    The use of microbial biosynthesis to produced deuterated recombinant proteins is a well-established practice in investigations of the relationship between molecular structure and function using neutron scattering and nuclear magnetic resonance spectroscopy. However, there have been few reports of using microbial synthetic capacity to produce labeled native biopolymers. Here, we describe methods for the production of deuterated polyhydroxyalkanoate biopolyesters in bacteria, the polysaccharide chitosan in the yeast Pichia pastoris, and cellulose in the bacterium Gluconacetobacter xylinus. The resulting molecules offer not only multiple options in creating structural contrast in polymer blends and composites in structural studies but also insight into the biosynthetic pathways themselves. PMID:26577729

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

    SciTech Connect

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

    2006-03-01

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

  7. Synthesis and characterization of nanophase zirconia : reverse micelle method and neutron scattering study.

    SciTech Connect

    Li, X.

    1998-11-23

    Zirconia is an important transition-metal oxide for catalytic applications. It has been widely used in automotive exhaust treatment, methanol synthesis, isomerization, alkylation, etc. [1]. Nanophase materials have unique physiochemical properties such as quantum size effects, high surface area, uniform morphology, narrow size distribution, and improvement of sintering rates[2]. Microemulsion method provides the means for controlling the microenvironment under which specific chemical reactions may occur in favoring the formation of homogeneous, nanometer-size particles. In this paper, we report the synthesis of nanophase zirconia and the characterization of the microemulsions as well as the powders by small- and wide-angle neutron scattering techniques.

  8. Estimation of Force Constants of Al from Diffuse Neutron Scattering Measurement

    NASA Astrophysics Data System (ADS)

    Makhsun; Hashimoto, Takuya; Sakuma, Takashi; Takahashi, Haruyuki; Kamishima, Osamu; Igawa, Naoki; Danilkin, Sergey A.

    2014-07-01

    Neutron diffraction measurement of an aluminum powder sample at 290 K was carried out at the high resolution powder diffractometer installed at JRR-3. Broad oscillations of the diffuse scattering intensity were observed and explained by the correlation effects among the thermal displacements of atoms. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.

  9. Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

    SciTech Connect

    Specht, Eliot D; Ma, Jie; Delaire, Olivier A; Budai, John D; May, Andrew F; Karapetrova, Evguenia A.

    2015-01-01

    Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

  10. Cross-helix separation of tropomyosin molecules in acto-tropomyosin as determined by neutron scattering.

    PubMed Central

    Bivin, D B; Stone, D B; Schneider, D K; Mendelson, R A

    1991-01-01

    The cross-helix separation of Tm molecules in acto-tropomyosin has been determined using neutron scattering. Deuterated Dictyostelium discoideum actin was density matched in a 93% D2O buffer so that effectively only the protonated tropomyosin was "visible" to neutrons. Analysis of the solution scattering pattern in the region of the first oscillation yielded a value for the cross-helix separation of 7.9 +/- 0.3 nm. The implications of this value for the mechanism of the regulation of muscle contraction are discussed in light of recent results by others. Images FIGURE 2 PMID:1829644

  11. Small Angle Neutron Scattering Observation of Chain Retraction after a Large Step Deformation

    SciTech Connect

    Blanchard, A.; Heinrich, M.; Pyckhout-Hintzen, W.; Richter, D.; Graham, R.S.; Likhtman, A.E.; McLeish, T.C.B.; Read, D.J.; Straube, E.; Kohlbrecher, J.

    2005-10-14

    The process of retraction in entangled linear chains after a fast nonlinear stretch was detected from time-resolved but quenched small angle neutron scattering (SANS) experiments on long, well-entangled polyisoprene chains. The statically obtained SANS data cover the relevant time regime for retraction, and they provide a direct, microscopic verification of this nonlinear process as predicted by the tube model. Clear, quantitative agreement is found with recent theories of contour length fluctuations and convective constraint release, using parameters obtained mainly from linear rheology. The theory captures the full range of scattering vectors once the crossover to fluctuations on length scales below the tube diameter is accounted for.

  12. Mantid - Data Analysis and Visualization Package for Neutron Scattering and $\\mu SR$ Experiments

    SciTech Connect

    Arnold, Owen; Bilheux, Jean-Christophe; Borreguero Calvo, Jose M; Buts, Alex; Campbell, Stuart I; Doucet, Mathieu; Draper, Nicholas J; Ferraz Leal, Ricardo F; Gigg, Martyn; Lynch, Vickie E; Mikkelson, Dennis J; Mikkelson, Ruth L; Miller, Ross G; Perring, Toby G; Peterson, Peter F; Ren, Shelly; Reuter, Michael A; Savici, Andrei T; Taylor, Jonathan W; Taylor, Russell J; Zhou, Wenduo; Zikovsky, Janik L

    2014-11-01

    The Mantid framework is a software solution developed for the analysis and visualization of neutron scattering and muon spin measurements. The framework is jointly developed by a large team of software engineers and scientists at the ISIS Neutron and Muon Facility and the Oak Ridge National Laboratory. The objective of the development is to improve software quality, both in terms of performance and ease of use, for the the user community of large scale facilities. The functionality and novel design aspects of the framework are described.

  13. Analysis of magnetic neutron-scattering data of two-phase ferromagnets

    NASA Astrophysics Data System (ADS)

    Honecker, Dirk; Dewhurst, Charles D.; Suzuki, Kiyonori; Erokhin, Sergey; Michels, Andreas

    2013-09-01

    We have analyzed magnetic-field-dependent small-angle neutron scattering (SANS) data of soft magnetic two-phase nanocomposite ferromagnets in terms of a recent micromagnetic theory for the magnetic SANS cross section [Honecker and Michels, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.87.224426 87, 224426 (2013)]. The approach yields a value for the average exchange-stiffness constant and provides the Fourier coefficients of the magnetic anisotropy field and the magnetostatic field, which is related to jumps of the magnetization at internal interfaces.

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

    NASA Astrophysics Data System (ADS)

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

    2012-01-01

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

  15. A small angle neutron scattering study of mica based glass-ceramics with applications in dentistry

    NASA Astrophysics Data System (ADS)

    Kilcoyne, S. H.; Bentley, P. M.; Al-Jawad, M.; Bubb, N. L.; Al-Shammary, H. A. O.; Wood, D. J.

    2004-07-01

    We are currently developing machinable and load-bearing mica-based glass-ceramics for use in restorative dental surgery. In this paper we present the results of an ambient temperature small angle neutron scattering (SANS) study of several such ceramics with chemical compositions chosen to optimise machinability and strength. The SANS spectra are all dominated by scattering from the crystalline-amorphous phase interface and exhibit Q-4 dependence (Porod scattering) indicating that, on a 100Å scale, the surface of the crystals is smooth.

  16. Neutron Scattering Studies of Vortex Matter in Type-II Superconductors

    SciTech Connect

    Xinsheng Ling

    2012-02-02

    The proposed program is an experimental study of the fundamental properties of Abrikosov vortex matter in type-II superconductors. Most superconducting materials used in applications such as MRI are type II and their transport properties are determined by the interplay between random pinning, interaction and thermal fluctuation effects in the vortex state. Given the technological importance of these materials, a fundamental understanding of the vortex matter is necessary. The vortex lines in type-II superconductors also form a useful model system for fundamental studies of a number of important issues in condensed matter physics, such as the presence of a symmetry-breaking phase transition in the presence of random pinning. Recent advances in neutron scattering facilities such as the major upgrade of the NIST cold source and the Spallation Neutron Source are providing unprecedented opportunities in addressing some of the longstanding issues in vortex physics. The core component of the proposed program is to use small angle neutron scattering and Bitter decoration experiments to provide the most stringent test of the Bragg glass theory by measuring the structure factor in both the real and reciprocal spaces. The proposed experiments include a neutron reflectometry experiment to measure the precise Q-dependence of the structure factor of the vortex lattice in the Bragg glass state. A second set of SANS experiments will be on a shear-strained Nb single crystal for testing a recently proposed theory of the stability of Bragg glass. The objective is to artificially create a set of parallel grain boundaries into a Nb single crystal and use SANS to measure the vortex matter diffraction pattern as a function of the changing angle between the applied magnetic field to the grain boundaries. The intrinsic merits of the proposed work are a new fundamental understanding of type-II superconductors on which superconducting technology is based, and a firm understanding of phases

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

    SciTech Connect

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

    2013-04-19

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

  18. Equilibrium Structure of a Triblock Copolymer System Revealed by Mesoscale Simulation and Neutron Scattering

    SciTech Connect

    Do, Changwoo; Chen, Wei-Ren; Hong, Kunlun; Smith, Gregory Scott

    2013-01-01

    We have performed both mesoscale simulations and neutron scattering experiments on Pluronic L62, a poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymer system in aqueous solution. The influence of simulation variables such PEO/PPO block ratio, interaction parameters, and coarse-graining methods is extensively investigated by covering all permutations of parameters found in the literatures. Upon increasing the polymer weight fraction from 50 wt% to 90 wt%, the equilibrium structure of the isotropic, reverse micellar, bicontinuous, worm-like micelle network, and lamellar phases are respectively predicted from the simulation depending on the choices of simulation parameters. Small angle neutron scattering (SANS) measurements show that the same polymer systems exhibit the spherical micellar, lamellar, and reverse micellar phases with the increase of the copolymer concentration at room temperature. Detailed structural analysis and comparison with simulations suggest that one of the simulation parameter sets can provide reasonable agreement with the experimentally observed structures.

  19. Equilibrium structure of a triblock copolymer system revealed by mesoscale simulation and neutron scattering

    NASA Astrophysics Data System (ADS)

    Do, Changwoo; Chen, Wei-Ren; Hong, Kunlun; Smith, Gregory S.

    2013-12-01

    We have performed both mesoscale simulations and neutron scattering experiments on Pluronic L62, a poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymer system in aqueous solution. The influence of simulation variables such PEO/PPO block ratio, interaction parameters, and coarse-graining methods is extensively investigated by covering all permutations of parameters found in the literatures. Upon increasing the polymer weight fraction from 50 wt% to 90 wt%, the equilibrium structure of the isotropic, reverse micellar, bicontinuous, worm-like micelle network, and lamellar phases are respectively predicted from the simulation depending on the choices of simulation parameters. Small angle neutron scattering (SANS) measurements show that the same polymer systems exhibit the spherical micellar, lamellar, and reverse micellar phases with the increase of the copolymer concentration at room temperature. Detailed structural analysis and comparison with simulations suggest that one of the simulation parameter sets can provide reasonable agreement with the experimentally observed structures.

  20. Neutron scattering characterization of pure and rare-earth modified zirconia catalysis.

    SciTech Connect

    Loong, C.-K.; Ozawa, M.; Richardson, J. W., Jr.; Suzuki, S.; Thiyagarajan, P.

    1997-11-18

    The combined application of neutron powder diffraction, small angle neutron scattering and neutron inelastic scattering has led to improved understanding of the crystal phases, defect structure, microstructure and hydroxyl/water dynamics in pure and lanthanide-modified zirconia catalysts. Powder diffraction experiments quantified the degree of stabilization and provided evidence for static, oxygen vacancy-induced atomic displacements in stabilized zirconia. Quantitative assessment of Bragg peak breadths led to measurements of ''grain size'', representing coherency length of long-range ordered atomic arrangements (crystals). Small angle neutron scattering provided a separate measurement of ''grain size'', representing the average size of the primary particles in the aggregates, and the evolution of porosity (micro- versus meso-) and surface roughness caused by RE modification and heat treatment. Finally, the dynamics of hydrogen atoms associated with surface hydroxyls and adsorbed water was investigated by neutron-inelastic scattering, revealing changes in frequency and band breadth of O-H stretch, H-O-H bend, and librational motion of water molecules.

  1. Laser desorption mass spectrometry and small angle neutron scattering of heavy fossil materials

    SciTech Connect

    Hunt, J.E.; Winans, R.E.; Thiyagarajan, P.

    1997-09-01

    The determination of the structural building blocks and the molecular weight range of heavy hydrocarbon materials is of crucial importance in research on their reactivity and for their processing. The chemically and physically heterogenous nature of heavy hydrocarbon materials, such as coals, heavy petroleum fractions, and residues, dictates that their structure and reactivity patterns be complicated. The problem is further complicated by the fact that the molecular structure and molecular weight distribution of these materials is not dependent on a single molecule, but on a complex mixture of molecules which vary among coals and heavy petroleum samples. Laser Desorption mass spectrometry (LDMS) is emerging as a technique for molecular weight determination having found widespread use in biological polymer research, but is still a relatively new technique in the fossil fuel area. Small angle neutron scattering (SANS) provides information on the size and shape of heavy fossil materials. SANS offers the advantages of high penetration power even in thick cells at high temperatures and high contrast for hydrocarbon systems dispersed in deuterated solvents. LDMS coupled with time of flight has the advantages of high sensitivity and transmission and high mass range. We have used LDMS to examine various heavy fossil-derived materials including: long chain hydrocarbons, asphaltenes from petroleum vacuum resids, and coals. This paper describes the application of laser desorption and small angle neutron scattering techniques to the analysis of components in coals, petroleum resids and unsaturated polymers.

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

    NASA Astrophysics Data System (ADS)

    Zorn, Reiner

    2015-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

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

  4. Br diffusion in molten NaBr explored by coherent quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Demmel, F.; Alcaraz, O.; Trullas, J.

    2016-04-01

    Molten sodium bromide has been investigated by quasielastic neutron scattering focusing on the wave vector range around the first structure factor peak. The linewidth of the scattering function shows a narrowing around the wave number of the structure factor peak, known as deGennes narrowing. In a monatomic system, this narrowing or in the time domain slowing down, has been related to a self-diffusion process of the caged particle. Here we show that this methodology can be applied to the molten alkali halide NaBr. The incoherent scattering from the sodium ions at small wave vectors provides the self-diffusion coefficient of sodium and the dynamics of bromine ions can be studied at wave numbers around the structure factor peak. With input from molecular dynamics simulations on the partial structure factors, diffusion coefficients of the bromine ions can be obtained. These experimentally derived diffusion coefficients are in good agreement with molecular dynamics simulation results. This methodology to extract self-diffusion coefficients from coherent quasielastic neutron scattering is applicable to binary fluids in general when one particle dominates the scattering response at the structure factor maximum.

  5. A novel approach to neutron scattering instrumentation for probing multiscale dynamics in soft and biological matter

    DOE PAGESBeta

    Mamontov, Eugene

    2016-06-29

    We present a concept and ray-tracing simulation results of a mechanical device that will enable inelastic neutron scattering measurements where the data at energy transfers from a few eV to several hundred meV can be collected in a single, gapless spectrum. Besides covering 5 orders of magnitude on the energy (time) scale, the device provides data over 2 orders of magnitude on the scattering momentum (length) scale in a single measurement. Such capabilities are geared primarily toward soft and biological matter, where the broad dynamical features of relaxation origin largely overlap with vibration features, thus necessitating gapless spectral coverage overmore » several orders of magnitude in time and space. Furthermore, neutron scattering experiments with such a device are performed with a fixed neutron final energy, which enables measurements, with neutron energy loss in the sample, at arbitrarily low temperatures over the same broad spectral range. Lastly, this capability is also invaluable in biological and soft matter research, as the variable temperature dependence of different relaxation components allows their separation in the scattering spectra as a function of temperature.« less

  6. Search for supersolid 4He in neutron scattering experiments at ISIS

    NASA Astrophysics Data System (ADS)

    Kirichek, O.

    2009-02-01

    The observation of a non-classical rotation inertia (NCRI) fraction in bulk solid 4He by M. Chan and E. Kim [1, 2] attracted significant interest as a possible manifestation of supersolid state of matter. Despite numerous experimental and theoretical studies inspired by this observation, an explicit explanation for this phenomenon is still missing. Neutron scattering experiments on solid helium may help to shed light on the physical grounds of NCRI and answer the question on whether this phenomenon could be caused by Bose-Einstein Condensation. In this paper we are going to discuss the results obtained in experiments involving neutron scattering on solid 4He. Microscopic quantitative data such as mean kinetic energy, mean square momentum and mean square displacement of helium atoms as well as the lattice parameter have been obtained for the first time for solid 4He in temperature range 70mK - 500 mK. No change was seen in the single atom kinetic energy (within statistical error better than 1%) as well as change in the lattice parameter (within 0.03%). The mean square displacement did not change in the region of expected supersolid transition either. All these results suggest that the NCRI transition is quite different from the superfluid transition in liquid 4He.

  7. Fostering applications of neutron scattering techniques in developing countries: IAEA's role

    NASA Astrophysics Data System (ADS)

    Paranjpe, Shriniwas K.; Mank, G.; Ramamoorthy, N.

    2006-11-01

    Over the last 60 years research reactors have played an important role in technological and socio-economical development of mankind. Neutron scattering has been the workhorse for research and development in materials science. Developing countries with moderate flux research reactors have also been involved in using this technique. The reactors and the facilities around them have a large potential for applications, while their under-utilization has been a concern for many member states. The International Atomic Energy Agency (IAEA) has been supporting its member states in the enhancement of utilization of their research reactors. Technical meetings focussing on the area of current interests with potential applications are organized under the project on “effective utilization of research reactors,” e.g. on residual stress measurement, neutron reflectometry. Coordinated research projects (CRPs) bring together scientists from developed and developing countries, build collaborations, and exchange expertise and technology. The CRPs on research reactor utilization include topics like development of small-angle neutron scattering applications and development of sources and imaging systems for neutron radiography. New CRPs on the measurement of residual stress and accelerator-driven neutron sources will be initiated soon. The results from these meetings of CRPs are published as technical documents of the IAEA that would act as guidelines for capacity building for research reactor managers. This paper will present some of the salient features of IAEA activities in promoting research reactor utilization.

  8. A novel approach to neutron scattering instrumentation for probing multiscale dynamics in soft and biological matter

    NASA Astrophysics Data System (ADS)

    Mamontov, Eugene

    2016-09-01

    We present a concept and ray-tracing simulation of a mechanical device that will enable inelastic neutron scattering measurements where the data at energy transfers from a few μeV to several hundred meV can be collected in a single, gapless spectrum. Besides covering 5 orders of magnitude on the energy (time) scale, the device provides data over 2 orders of magnitude on the scattering momentum (length) scale in a single measurement. Such capabilities are geared primarily toward soft and biological matter, where the broad dynamical features of relaxation origin largely overlap with vibration features, thus necessitating gapless spectral coverage over several orders of magnitude in time and space. Furthermore, neutron scattering experiments with such a device are performed with a fixed neutron final energy, which enables measurements, with neutron energy loss in the sample, at arbitrarily low temperatures over the same broad spectral range. This capability is also invaluable in biological and soft matter research, as the variable temperature dependence of different relaxation components allows their separation in the scattering spectra as a function of temperature.

  9. Liquid 1-propanol studied by neutron scattering, near-infrared, and dielectric spectroscopy

    SciTech Connect

    Sillrén, P.; Matic, A.; Karlsson, M.; Koza, M.; Maccarini, M.; Fouquet, P.; Götz, M.; Bauer, Th.; Gulich, R.; Lunkenheimer, P.; Loidl, A.; Mattsson, J.; Gainaru, C.; Vynokur, E.; Schildmann, S.; Bauer, S.; Böhmer, R.

    2014-03-28

    Liquid monohydroxy alcohols exhibit unusual dynamics related to their hydrogen bonding induced structures. The connection between structure and dynamics is studied for liquid 1-propanol using quasi-elastic neutron scattering, combining time-of-flight and neutron spin-echo techniques, with a focus on the dynamics at length scales corresponding to the main peak and the pre-peak of the structure factor. At the main peak, the structural relaxation times are probed. These correspond well to mechanical relaxation times calculated from literature data. At the pre-peak, corresponding to length scales related to H-bonded structures, the relaxation times are almost an order of magnitude longer. According to previous work [C. Gainaru, R. Meier, S. Schildmann, C. Lederle, W. Hiller, E. Rössler, and R. Böhmer, Phys. Rev. Lett. 105, 258303 (2010)] this time scale difference is connected to the average size of H-bonded clusters. The relation between the relaxation times from neutron scattering and those determined from dielectric spectroscopy is discussed on the basis of broad-band permittivity data of 1-propanol. Moreover, in 1-propanol the dielectric relaxation strength as well as the near-infrared absorbance reveal anomalous behavior below ambient temperature. A corresponding feature could not be found in the polyalcohols propylene glycol and glycerol.

  10. Liquid 1-propanol studied by neutron scattering, near-infrared, and dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Sillrén, P.; Matic, A.; Karlsson, M.; Koza, M.; Maccarini, M.; Fouquet, P.; Götz, M.; Bauer, Th.; Gulich, R.; Lunkenheimer, P.; Loidl, A.; Mattsson, J.; Gainaru, C.; Vynokur, E.; Schildmann, S.; Bauer, S.; Böhmer, R.

    2014-03-01

    Liquid monohydroxy alcohols exhibit unusual dynamics related to their hydrogen bonding induced structures. The connection between structure and dynamics is studied for liquid 1-propanol using quasi-elastic neutron scattering, combining time-of-flight and neutron spin-echo techniques, with a focus on the dynamics at length scales corresponding to the main peak and the pre-peak of the structure factor. At the main peak, the structural relaxation times are probed. These correspond well to mechanical relaxation times calculated from literature data. At the pre-peak, corresponding to length scales related to H-bonded structures, the relaxation times are almost an order of magnitude longer. According to previous work [C. Gainaru, R. Meier, S. Schildmann, C. Lederle, W. Hiller, E. Rössler, and R. Böhmer, Phys. Rev. Lett. 105, 258303 (2010)] this time scale difference is connected to the average size of H-bonded clusters. The relation between the relaxation times from neutron scattering and those determined from dielectric spectroscopy is discussed on the basis of broad-band permittivity data of 1-propanol. Moreover, in 1-propanol the dielectric relaxation strength as well as the near-infrared absorbance reveal anomalous behavior below ambient temperature. A corresponding feature could not be found in the polyalcohols propylene glycol and glycerol.

  11. Elastic neutron scattering at 96 MeV from {sup 12}C and {sup 208}Pb

    SciTech Connect

    Klug, J.; Blomgren, J.; Atac, A.; Bergenwall, B.; Hildebrand, A.; Johansson, C.; Mermod, P.; Pomp, S.; Tippawan, U.; Nilsson, L.; Elmgren, K.; Olsson, N.; Jonsson, O.; Prokofiev, A.V.; Renberg, P.-U.; Nadel-Turonski, P.; Dangtip, S.; Phansuke, P.; Oesterlund, M.; Le Brun, C.

    2003-12-01

    A facility for detection of scattered neutrons in the energy interval 50-130 MeV, SCANDAL, has recently been installed at the 20-180 MeV neutron beam line of the The Svedberg Laboratory, Uppsala. Elastic neutron scattering from {sup 12}C and {sup 208}Pb has been studied at 96 MeV in the 10 deg. -70 deg. interval. The achieved energy resolution, 3.7 MeV, is about an order of magnitude better than for any previous experiment above 65 MeV incident energy. The present experiment represents the highest neutron energy where the ground state has been resolved from the first excited state in neutron scattering. A novel method for normalization of the absolute scale of the cross section has been used. The estimated normalization uncertainty, 3%, is unprecedented for a neutron-induced differential cross section measurement on a nuclear target. The results are compared with modern optical model predictions based on phenomenology or microscopic nuclear theory.

  12. Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Calandrini, V.; Hamon, V.; Hinsen, K.; Calligari, P.; Bellissent-Funel, M.-C.; Kneller, G. R.

    2008-04-01

    This paper presents a study of the influence of non-denaturing hydrostatic pressure on the relaxation dynamics of lysozyme in solution, which combines molecular dynamics simulations and quasielastic neutron scattering experiments. We compare results obtained at ambient pressure and at 3 kbar. Experiments have been performed at pD 4.6 and at a protein concentration of 60 mg/ml. For both pressures we checked the monodispersity of the protein solution by small angle neutron scattering. To interpret the simulation results and the experimental data, we adopt the fractional Ornstein-Uhlenbeck process as a model for the internal relaxation dynamics of the protein. On the experimental side, global protein motions are accounted for by the model of free translational diffusion, neglecting the much slower rotational diffusion. We find that the protein dynamics in the observed time window from about 1 to 100 ps is slowed down under pressure, while its fractal characteristics is preserved, and that the amplitudes of the motions are reduced by about 20%. The slowing down of the relaxation is reduced with increasing q-values, where more localized motions are seen.

  13. New libraries for simulating neutron scattering in dark matter detector calibrations

    NASA Astrophysics Data System (ADS)

    Robinson, Alan E.

    2014-03-01

    Dark matter detectors require calibrations of their energy scale and efficiency to detect nuclear recoils in the 1-50 keV range. Most calibrations use neutron scattering and require mcnp or geant4 simulations of neutron propagation through the detector. For most nuclei heavier than 16O, these simulation libraries ignore the contribution of resolved resonances to the neutron elastic differential cross section. For many isotopes and neutron energies of importance to dark matter detection, this invalid assumption can severely distort simulated nuclear recoil spectra. The correct angular distributions can be calculated from the resonance parameters using R-matrix formalism. A set of neutron scattering libraries with high-resolution angular distributions for mcnp and geant4 of 19F, 40Ar, 50,52Cr, 56Fe, 136Xe, and 206,207,208Pb is presented. An mcnpx library for simulating the production of low-energy neutrons in the 9Be(γ,n)8Be reaction is also presented. Example dark matter detector calibrations are simulated with the new libraries showing how detector sensitivity could be overestimated by factors of 2 by relying on existing mcnp and geant4 libraries.

  14. Theory of deep inelastic neutron scattering. II. Application to normal and superfluid 4He

    NASA Astrophysics Data System (ADS)

    Silver, Richard N.

    1989-03-01

    The hard-core perturbation theory (HCPT) predictions for high-momentum-transfer neutron scattering from liquid 4He are numerically evaluated. The input to the calculations are Monte Carlo and variational momentum distributions, the radial distribution function, and the Jeffreys-Wentzel-Kramers-Brillouin phase shifts for the He potential. Consistent with the ω2 sum rule, the Gaussian width of the dynamic structure function S(Q,ω) is the same in HCPT and in the impulse approximation (IA). However, where the IA predicts structure in S(Q,ω) below Tλ due to the Bose condensate, HCPT predicts that S(Q,ω) is smoothed by final-state broadening. The final-state effects are negligible for the normal fluid above Tλ. The approach to the IA at high Q is shown to be O(logQ) for the He-He potential, which implies that S(Q,ω) satisfies approximate Y scaling and that final-state broadening is significant for all feasible experiments. Extensions of HCPT to lower Q and to other systems are qualitatively discussed. The problem of extracting momentum distributions in quantum fluids and solids from high-Q neutron scattering is addressed.

  15. Theory of deep inelastic neutron scattering. II. Application to normal and superfluid /sup 4/He

    SciTech Connect

    Silver, R.N.

    1989-03-01

    The hard-core perturbation theory (HCPT) predictions for high-momentum-transfer neutron scattering from liquid /sup 4/He are numerically evaluated. The input to the calculations are Monte Carlo and variational momentum distributions, the radial distribution function, and the Jeffreys-Wentzel-Kramers-Brillouin phase shifts for the He potential. Consistent with the ..omega../sup 2/ sum rule, the Gaussian width of the dynamic structure function S(Q,..omega..) is the same in HCPT and in the impulse approximation (IA). However, where the IA predicts structure in S(Q,..omega..) below T/sub lambda/ due to the Bose condensate, HCPT predicts that S(Q,..omega..) is smoothed by final-state broadening. The final-state effects are negligible for the normal fluid above T/sub lambda/. The approach to the IA at high Q is shown to be O(logQ) for the He-He potential, which implies that S(Q,..omega..) satisfies approximate Y scaling and that final-state broadening is significant for all feasible experiments. Extensions of HCPT to lower Q and to other systems are qualitatively discussed. The problem of extracting momentum distributions in quantum fluids and solids from high-Q neutron scattering is addressed.

  16. Structural analysis of molybdo-zinc-phosphate glasses: Neutron scattering, FTIR, Raman scattering, MAS NMR studies

    NASA Astrophysics Data System (ADS)

    Renuka, C.; Shinde, A. B.; Krishna, P. S. R.; Reddy, C. Narayana

    2016-08-01

    Vitreous samples were prepared in the xMoO3-17ZnO-(83-x) NaPO3 with 35 ≥ x ≥ 55 glass forming system by energy efficient microwave heating method. Structural evolution of the vitreous network was monitored as a function of composition by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), Raman scattering, Magic Angle Spin Nuclear magnetic resonance (MAS NMR) and Neutron scattering. Addition of MoO3 to the ZnO-NaPO3 glass leads to a pronounced increase in glass transition temperature (Tg) suggesting a significant increase in network connectivity and strength. In order to analyze FTIR and Raman scattering, a simple structural model is presented to rationalize the experimental observations. A number of structural units are formed due to network modification, and the resulting glass may be characterized by a network polyhedral with different numbers of unshared corners. 31P MAS NMR confirms a clear distinction between structural species having 3, 2, 1, 0 bridging oxygens (BOs). Further, Neutron scattering studies were used to probe the structure of these glasses. The result suggests that all the investigated glasses have structures based on chains of four coordinated phosphate and six coordinated molybdate units, besides, two different lengths of P-O bonds in tetrahedral phosphate units that are assigned to bonds of the P-atom with terminal and bridging oxygen atoms.

  17. A novel approach to neutron scattering instrumentation for probing multiscale dynamics in soft and biological matter.

    PubMed

    Mamontov, Eugene

    2016-09-01

    We present a concept and ray-tracing simulation of a mechanical device that will enable inelastic neutron scattering measurements where the data at energy transfers from a few μeV to several hundred meV can be collected in a single, gapless spectrum. Besides covering 5 orders of magnitude on the energy (time) scale, the device provides data over 2 orders of magnitude on the scattering momentum (length) scale in a single measurement. Such capabilities are geared primarily toward soft and biological matter, where the broad dynamical features of relaxation origin largely overlap with vibration features, thus necessitating gapless spectral coverage over several orders of magnitude in time and space. Furthermore, neutron scattering experiments with such a device are performed with a fixed neutron final energy, which enables measurements, with neutron energy loss in the sample, at arbitrarily low temperatures over the same broad spectral range. This capability is also invaluable in biological and soft matter research, as the variable temperature dependence of different relaxation components allows their separation in the scattering spectra as a function of temperature. PMID:27355223

  18. Neutron scattering in Er2-x Yx Ti2 O7

    NASA Astrophysics Data System (ADS)

    Gaudet, Jonathan; Hallas, Alannah; Maharaj, Dalini; Kermarrec, Edwin; Butch, Nicholas P.; Dabowska, Hanna; Gaulin, Bruce

    E r2 T i2 O7 (ETO) is a strong candidate for ground state selection via the order by disorder mechanism. A Ψ2 magnetic ground state appears below TN=1.2 K, where Ψ2 and Ψ3 are the two basis states of the irreducible representation Γ5. No sample dependance has been observed in the thermodynamics properties of ETO at low temperature, and in particular on its phase transition to long range magnetic order. ETO's ordered Neel state has been shown to be robust even to a relatively high level of magnetic dilution, as occurs with non-magnetic Y3+ substitution of Er3+ .However, recently two theoretical studies have predicted that ETO's Ψ2 ground state should be unstable to formation of the Ψ3 state, in the presence of such disorder. To explore this possibility,we grew single crystals of Er2 - xYx Ti2O7 (EYTO) with x = 0,0.2 and 0.4 and performed a systematic inelastic neutron scattering studies using the Disk Chopper time-of-flight spectrometer (DCS) at the National Institute of Standards and Technology (NIST). We will show elastic and inelastic neutron scattering at low temperatures and as a a function of applied magnetic field for all three samples and discuss the role of such quenched disorder on the spin dynamics of EYTO.

  19. Production of bacterial cellulose with controlled deuterium-hydrogen substitution for neutron scattering studies.

    PubMed

    O'Neill, Hugh; Shah, Riddhi; Evans, Barbara R; He, Junhong; Pingali, Sai Venkatesh; Chundawat, Shishir P S; Jones, A Daniel; Langan, Paul; Davison, Brian H; Urban, Volker

    2015-01-01

    Isotopic enrichment of biomacromolecules is a widely used technique that enables the investigation of the structural and dynamic properties to provide information not accessible with natural abundance isotopic composition. This study reports an approach for deuterium incorporation into bacterial cellulose. A media formulation for growth of Acetobacter xylinus subsp. sucrofermentans and Gluconacetobacter hansenii was formulated that supports cellulose production in deuterium (D) oxide. The level of D incorporation can be varied by altering the ratio of deuterated and protiated glycerol used during cell growth in the D2O-based growth medium. Spectroscopic analysis and mass spectrometry show that the level of deuterium incorporation is high (>90%) for the perdeuterated form of bacterial cellulose. The small-angle neutron scattering profiles of the cellulose with different amounts of D incorporation are all similar indicating that there are no structural changes in the cellulose due to substitution of deuterium for hydrogen. In addition, by varying the amount of deuterated glycerol in the media it was possible to vary the scattering length density of the deuterated cellulose. The ability to control deuterium content of cellulose extends the range of experiments using techniques such as neutron scattering to reveal information about the structure and dynamics of cellulose, and its interactions with other biomacromolecules as well as synthetic polymers used for development of composite materials. PMID:26577730

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

    SciTech Connect

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

    2010-01-01

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

  1. Low Resolution Structure and Dynamics of a Colicin-Receptor Complex Determined by Neutron Scattering

    SciTech Connect

    Clifton, Luke A; Johnson, Christopher L; Solovyova, Alexandra; Callow, Phil; Weiss, Kevin L; Ridley, Helen; Le Brun, Anton P; Kinane, Christian; Webster, John; Holt, Stephen A; Lakey, Jeremy H

    2012-01-01

    Proteins that translocate across cell membranes need to overcome a significant hydrophobic barrier. This is usually accomplished via specialized protein complexes, which provide a polar transmembrane pore. Exceptions to this include bacterial toxins, which insert into and cross the lipid bilayer itself. We are studying the mechanism by which large antibacterial proteins enter Escherichia coli via specific outer membrane proteins. Here we describe the use of neutron scattering to investigate the interaction of colicin N with its outer membrane receptor protein OmpF. The positions of lipids, colicin N, and OmpF were separately resolved within complex structures by the use of selective deuteration. Neutron reflectivity showed, in real time, that OmpF mediates the insertion of colicin N into lipid monolayers. This data were complemented by Brewster Angle Microscopy images, which showed a lateral association of OmpF in the presence of colicin N. Small angle neutron scattering experiments then defined the three-dimensional structure of the colicin N-OmpF complex. This revealed that colicin N unfolds and binds to the OmpF-lipid interface. The implications of this unfolding step for colicin translocation across membranes are discussed.

  2. Small-Angle Neutron Scattering study of the NIST mAb reference material

    NASA Astrophysics Data System (ADS)

    Castellanos, Maria Monica; Liu, Yun; Krueger, Susan; Curtis, Joseph

    Monoclonal antibodies (mAbs) are of great interest to the biopharmaceutical industry because they can be engineered to target specific antigens. Due to their importance, the biomanufacturing initiative at NIST is developing an IgG1 mAb reference material `NIST mAb', which can be used by industry, academia, and regulatory authorities. As part of this collaborative effort, we aim at characterizing the reference material using neutron scattering techniques. We have studied the small-angle scattering profile of the NIST mAb in a histidine buffer at 0 and 150 mM NaCl. Using Monte Carlo simulations, we generate an ensemble of structures and calculate their theoretical scattering profile, which can be directly compared with experimental data. Moreover, we analyze the structure factor to understand the effect of solution conditions on the protein-protein interactions. Finally, we have measured the solution scattering of the NIST mAb, while simultaneously performing freeze/thaw cycles, in order to investigate if the solution structure was affected upon freezing. The results from neutron scattering not only support the development of the reference material, but also provide insights on its stability and guide efforts for its development under different formulations.

  3. Neutron scattering in detwinned SrFe2As2 single crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Li; Song, Yu; Li, Yu; Zhang, Rui; Wang, Weiyi; Man, Haoran; Dai, Pengcheng

    Abstract:Large SrFe2As2 single crystals (2cm) were grown with self-flux method. The basic sample characterizations were described by XRD, MPMS and PPMS. Orthorhombic a along horizontal orientation and b along vertical orientation were determined by X-ray Laue diffraction. The crystals were cut into rectangular pieces along the [1, 1, 0] and [1,-1,0] directions by high precision wire saw. The device for sample detwinning was made of 6061 aluminum alloy with low neutron incoherent scattering cross section. Uniaxial pressure can be applied by a spring along orthorhombic [0, 1, 0] direction by tuning the screw in one end. The pressure can be calculated by the known elasticity coefficient (k = 10.5 N/mm) and the compression of the spring (Δx). Our neutron scattering experiments were carried out using the MAPS at the ISIS in England. Low Energy (such as Ei =80meV) with different temperatures ,especially around (TN = Ts = 193 K) is done in the time-of-fight experiment. It is interesting to find out the pressure induced spin excitation anisotropy. After careful analysis,we conclude that resistivity and spin excitation anisotropies are likely intimately connected. The results also compared with similar experiment in parent BaFe2As2 in Murlin at the ISIS. Keywards: neutron scattering, detwin, SrFe2As2, single crystals Figure 1, Large SrFe2As2 single crystals grown with self-flux method.

  4. Neutron scattering and phase separation of Gamma-B crystallin vs. pH, ionic strength and protein concentration

    NASA Astrophysics Data System (ADS)

    Thurston, George; Martini, K. Michael; Desmond, Kenneth; Putzig, Elias; Dell, Zachary; Carter, Dawn; Hollenbeck, Dawn; Dexter, Nicholas; Langner, Andreas; Ross, David; Harkin, Anthony; Nelson, Edward; Zackrisson-Oskolkova, Malin; Stradner, Anna; Dorsaz, Nicolas; Foffi, Giuseppe; Schurtenberger, Peter

    2010-03-01

    We study the pH, ionic strength and concentration dependence of liquid-liquid phase separation and neutron scattering of the eye lens protein Gamma-B crystallin. At pH 7, lowering ionic strength raises the cloud points. Neutron scattering indicates anisotropic protein interactions, in agreement with prior information. At lower pH phase separation disappears, and protein repulsions increase at low ionic strength. We seek to evaluate the roles of (i) patterned charge regulation, (ii) biasing of relative protein orientation due to local charge patches, and (iii) screened net protein charge for these phenomena. We apply a grand-canonical partition function model for charge regulation and other interactions, as input to Monte Carlo and neutron scattering computations.

  5. Differential Neutron Scattering Cross-Sections for the Low-Lying Levels of THORIUM-232, URANIUM-235 and URANIUM-238.

    NASA Astrophysics Data System (ADS)

    Goswami, Ganesh Chandra

    Differential cross sections have been measured for the ground state and for the low-lying levels of ('232)Th, ('235)U, ('238)U via neutron time-of-flight technique. This work consists of the study of neutron scattering cross sections in the following areas: (i) The cross sections of ('232)Th in the incident energy range 185-2400 keV for ground state rotational band (GSRB) levels 0('+) (ground state), 2('+) (49 keV), and 4('+) (162 keV), (ii) the cross sections of ('235)U at incident energies of 185 keV and 550 keV for groups of levels, ground state + 77 eV + 13 keV and 46 + 52 keV, and (iii) the cross sections of ('238)U in the incident energy range 185-920 keV for GSRB levels 0('+) (ground state), 2('+) (45 keV) and 4('+) (148 keV). The University of Lowell 5.5 MV pulsed Van -de-Graaff accelerator with Mobley bunching system was employed. Neutrons were generated via the ('7)Li(p,n)('7)Be reaction in a metallic lithium target having thickness 8-10 keV. An overall resolution of 15-20 keV was maintained throughout the measurements. The scatterers were disk shaped. Careful attention has been paid to data reduction, angular resolution, multiple scattering corrections, and attenuation corrections. The results are compared with data of other investigators and ENDF/B-V.

  6. Spin-density correlations in the dynamic spin-fluctuation theory: Comparison with polarized neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Melnikov, N. B.; Reser, B. I.; Paradezhenko, G. V.

    2016-08-01

    To study the spin-density correlations in the ferromagnetic metals above the Curie temperature, we relate the spin correlator and neutron scattering cross-section. In the dynamic spin-fluctuation theory, we obtain explicit expressions for the effective and local magnetic moments and spatial spin-density correlator. Our theoretical results are demonstrated by the example of bcc Fe. The effective and local moments are found in good agreement with results of polarized neutron scattering experiment over a wide temperature range. The calculated short-range order is small (up to 4 Å) and slowly decreases with temperature.

  7. Structure of spontaneously formed solid-electrolyte interphase on lithiated graphite determined using small-angle neutron scattering

    DOE PAGESBeta

    Sacci, Robert L.; Banuelos, Jose Leobardo; Veith, Gabriel M.; Littrell, Ken C.; Cheng, Yongqiang Q.; Wildgruber, Christoph U.; Jones, Lacy L.; Ramirez-Cuesta, Anibal J.; Rother, Gernot; Dudney, Nancy J.

    2015-03-25

    We report the first small-angle neutron scattering of a chemically formed solid-electrolyte interphase from LixC6 reacting with ethylene carbonate/dimethyl carbon solvent. This provides a different and perhaps simpler view of SEI formation than the usual electrochemically-driven reaction. We show that an organic layer coats the graphite particles filling in micro-pores and is polymeric in nature being 1-3 nm thick. We used inelastic neutron scattering to probe the chemistry, and we found that the SEI showed similar inelastic scattering to polyethylene oxide.

  8. On the structure of concentrated detonation nanodiamond hydrosols with a positive ζ potential: Analysis of small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Avdeev, Mikhail V.; Tomchuk, Oleksandr V.; Ivankov, Oleksandr I.; Alexenskii, Alexander E.; Dideikin, Artur T.; Vul, Alexander Ya.

    2016-08-01

    Small-angle neutron scattering (SANS) was applied for the structure characterization of detonation nanodiamond (DND) aqueous suspensions with a positive ζ potential. The contrast variation technique (based on mixtures of light and heavy water) was used to study the structure of DND particles and their clusters in solutions. The results were compared with the data of the previous similar experiments for DND suspensions with a negative ζ potential. The experimental range of the neutron scattering contrast in the system was extended to maximally possible by starting with the initial concentrated suspensions separately prepared in light and heavy water.

  9. Excess wing in glass-forming glycerol and LiCl-glycerol mixtures detected by neutron scattering

    SciTech Connect

    Gupta, S.; Arend, N.; Lunkenheimer, P.; Loidl, A.; Stingaciu, L.; Jalarvo, N.; Mamontov, E.; Ohl, M.

    2015-01-22

    The relaxational dynamics in glass-forming glycerol and glycerol mixed with LiCl is investigated using different neutron scattering techniques. The performed neutron spin echo experiments, which extend up to relatively long relaxation time scales of the order of 10 ns, should allow for the detection of contributions from the so-called excess wing. This phenomenon, whose microscopic origin is controversially discussed, arises in a variety of glass formers and, until now, was almost exclusively investigated by dielectric spectroscopy and light scattering. In conclusion, we show here that the relaxational process causing the excess wing can also be detected by neutron scattering, which directly couples to density fluctuations.

  10. PREFACE: 6th Meeting of the Spanish Neutron Scattering Association (SETN2012)

    NASA Astrophysics Data System (ADS)

    2014-11-01

    The bi-annual Meeting of the Spanish Neutron Scattering Association, VI RSETN, took place in the magnificent world heritage ancient city of Segovia, Spain, from 24-27 June 2012, at the historical building ''Palacio de Mansilla''. It was the sixth in a series of successful scientific meetings, beginning in 2002 (San Sebastián), and followed by conferences in Puerto de la Cruz (Canary Islands, 2004), Jaca (Aragón, 2006), Sant Feliú de Guixols (Cataluña, 2008) and Gijón (Asturias, 2010). The conference covered a broad range of topics related to the use of neutron scattering techniques, from soft matter and biosciences to magnetism, condensed matter as well as advanced neutron instrumentation and applications. In addition to those topics, Spanish scientists working at neutron facilities reported recent upgrades of neutron instruments. The VI RSETN was organized by a group of research scientists belonging to different institutions in Madrid: CSIC, Universidad Complutense and Universidad Politécnica de Madrid, in cooperation with the Spanish Society for Neutron Techniques (SETN, 'Sociedad Española de Técnicas Neutrónicas'). The meeting attracted around 90 participants. The total number of oral presentations was 36, including plenary and invited talks, both from domestic and foreign speakers. In addition, the number of posters was around 20. The success of the VI RSETN was due to the efforts of many colleagues involved at all stages of the meeting. We would like to thank the scientific committee, the local organizing committee, the chairs of the conference sessions as well as all the reviewers who agreed generously to help with the process. We would also like to emphasize the excellent scientific quality of all the presentations and posters, and we thank the support received from our sponsors (SETN, ICMM-CSIC, ESS-Bilbao, ILL, Carburos Metálicos), which was really important for the conference success. Finally, we hope that the readers will enjoy the 28

  11. A new approach to quantification of metamorphism using ultra-small and small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Anovitz, Lawrence M.; Lynn, Gary W.; Cole, David R.; Rother, Gernot; Allard, Lawrence F.; Hamilton, William A.; Porcar, Lionel; Kim, Man-Ho

    2009-12-01

    In this paper we report the results of a study using small angle and ultra-small angle neutron scattering techniques (SANS and USANS) to examine the evolution of carbonates during contact metamorphism. Data were obtained from samples collected along two transects in the metamorphosed Hueco limestone at the Marble Canyon, Texas, contact aureole. These samples were collected from the igneous contact out to ˜1700 m. Scattering curves obtained from these samples show mass fractal behavior at low scattering vectors, and surface fractal behavior at high scattering vectors. Significant changes are observed in the surface and mass fractal dimensions as well as the correlation lengths (pore and grain sizes), surface area to volume ratio and surface Gibbs Free energy as a function of distance, including regions of the aureole outside the range of classic metamorphic petrology. A change from mass-fractal to non-fractal behavior is observed at larger scales near the outer boundary of the aureole that implies significant reorganization of pore distributions early in the metamorphic history. Surface fractal results suggest significant smoothing of grain boundaries, coupled with changes in pore sizes. A section of the scattering curve with a slope less than -4 appears at low- Q in metamorphosed samples, which is not present in unmetamorphosed samples. A strong spike in the surface area to volume ratio is observed in rocks near the mapped metamorphic limit, which is associated with reaction of small amounts of organic material to graphite. It may also represent an increase in pore volume or permeability, suggesting that a high permeability zone forms at the boundary of the aureole and moves outwards as metamorphism progresses. Neutron scattering data also correlate well with transmission electron microscopic (TEM) observations, which show formation of micro- and nanopores and microfractures during metamorphism. The scattering data are, however, quantifiable for a bulk rock in a

  12. A new approach to quantification of metamorphism using ultra-small and small angle neutron scattering.

    SciTech Connect

    Anovitz, Lawrence {Larry} M; Lynn, Gary W; Cole, David R

    2009-12-01

    In this paper we report the results of a study using small angle and ultra-small angle neutron scattering techniques (SANS and USANS) to examine the evolution of carbonates during contact metamorphism. Data were obtained from samples collected along two transects in the metamorphosed Hueco limestone at the Marble Canyon, Texas, contact aureole. These samples were collected from the igneous contact out to {approx}1700 m. Scattering curves obtained from these samples show mass fractal behavior at low scattering vectors, and surface fractal behavior at high scattering vectors. Significant changes are observed in the surface and mass fractal dimensions as well as the correlation lengths (pore and grain sizes), surface area to volume ratio and surface Gibbs Free energy as a function of distance, including regions of the aureole outside the range of classic metamorphic petrology. A change from mass-fractal to non-fractal behavior is observed at larger scales near the outer boundary of the aureole that implies significant reorganization of pore distributions early in the metamorphic history. Surface fractal results suggest significant smoothing of grain boundaries, coupled with changes in pore sizes. A section of the scattering curve with a slope less than -4 appears at low-Q in metamorphosed samples, which is not present in unmetamorphosed samples. A strong spike in the surface area to volume ratio is observed in rocks near the mapped metamorphic limit, which is associated with reaction of small amounts of organic material to graphite. It may also represent an increase in pore volume or permeability, suggesting that a high permeability zone forms at the boundary of the aureole and moves outwards as metamorphism progresses. Neutron scattering data also correlate well with transmission electron microscopic (TEM) observations, which show formation of micro- and nanopores and microfractures during metamorphism. The scattering data are, however, quantifiable for a bulk rock

  13. Neutrons scattering studies in the actinide region. Progress report, August 1, 1991--July 31, 1992

    SciTech Connect

    Kegel, G.H.R.; Egan, J.J.

    1992-09-01

    During the report period were investigated the following areas: prompt fission neutron energy spectra measurements; neutron elastic and inelastic scattering from {sup 239}Pu; neutron scattering in {sup 181}Ta and {sup 197}Au; response of a {sup 235}U fission chamber near reaction thresholds; two-parameter data acquisition system; ``black`` neutron detector; investigation of neutron-induced defects in silicon dioxide; and multiple scattering corrections. Four Ph.D. dissertations and one M.S. thesis were completed during the report period. Publications consisted of three journal articles, four conference papers in proceedings, and eleven abstracts of presentations at scientific meetings. There are currently four Ph.D. and one M.S. candidates working on dissertations directly associated with the project. In addition, three other Ph.D. candidates are working on dissertations involving other aspects of neutron physics in this laboratory.

  14. In situ shape and distance measurements in neutron scattering and diffraction

    SciTech Connect

    Fujiwara, Satoru; Mendelson, R.A.

    1994-12-31

    Neutron scattering combined with selective isotopic labeling and contrast matching is useful for obtaining in situ structural information about a selected particle, or particles, in a macromolecular complex. The observed intensities, however, may be distorted by inter-complex interference and by scattering-length-density fluctuations of the (otherwise) contrast-matched portions. Methods have been proposed to cancel out such distortions (Hoppe`s method, the Statistical Labeling Method, and the Triple Isotopic Substitution Method). With these methods as well as related unmixed-sample methods, structural information about the selected particles can be obtained without these distortions. We have generalized these methods so that, in addition to globular particles in solution, they can be applied to in situ structures of systems having underlying symmetry and/or net orientation as well. The information obtainable from such experiments is discussed.

  15. Hydrogen Species Motion in Piezoelectrics: A Quasi-Elastic Neutron Scattering Study

    SciTech Connect

    Alvine, Kyle J.; Tyagi, Madhu; Brown, Craig; Udovic, Terrence J.; Jenkins, T. J.; Pitman, Stan G.

    2012-03-05

    Hydrogen is known to damage or degrade piezoelectric materials, at low pressure for ferroelectric random access memory applications, and at high pressure for hydrogen powered vehicle applications. The piezoelectric degradation is in part governed by the motion of hydrogen species within the piezoelectric materials. We present here Quasi-Elastic Neutron Scattering (QENS) measurements of the local hydrogen species motion within lead zirconate titanate (PZT) and barium titanate (BTO) on samples charged by gaseous exposure to high-pressure gaseous hydrogen {approx}17 MPa. Filter Analyzed Neutron Spectroscopy (FANS) studies of the hydrogen enhanced vibrational modes are presented as well. Results are discussed in context of theoretically predicted interstitial hydrogen lattice sites and compared to comparable bulk diffusion studies of hydrogen diffusion in lead zirconate titanate.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2010-11-01

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

  19. Neutron scattering signatures of the 3D hyperhoneycomb Kitaev quantum spin liquid

    NASA Astrophysics Data System (ADS)

    Smith, A.; Knolle, J.; Kovrizhin, D. L.; Chalker, J. T.; Moessner, R.

    2015-11-01

    Motivated by recent synthesis of the hyperhoneycomb material β -Li2IrO3 , we study the dynamical structure factor (DSF) of the corresponding 3D Kitaev quantum spin-liquid (QSL), whose fractionalized degrees of freedom are Majorana fermions and emergent flux loops. The properties of this 3D model are known to differ in important ways from those of its 2D counterpart—it has a finite-temperature phase transition, as well as distinct features in the Raman response. We show, however, that the qualitative behavior of the DSF is broadly dimension-independent. Characteristics of the 3D DSF include a response gap even in the gapless QSL phase and an energy dependence deriving from the Majorana fermion density of states. Since the majority of the response is from states containing a single Majorana excitation, our results suggest inelastic neutron scattering as the spectroscopy of choice to illuminate the physics of Majorana fermions in Kitaev QSLs.

  20. Multiple magnetic scattering in small-angle neutron scattering of Nd-Fe-B nanocrystalline magnet.

    PubMed

    Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P; Keiderling, Uwe; Ono, Kanta

    2016-01-01

    We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd-Fe-B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd-Fe-B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd-Fe-B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters. PMID:27321149

  1. Dynamics in poly vinyl alcohol (PVA) based hydrogel: Neutron scattering study

    NASA Astrophysics Data System (ADS)

    Prabhudesai, S. A.; Lawrence, Mathias B.; Mitra, S.; Desa, J. A. E.; Mukhopadhyay, R.

    2015-06-01

    Results of quasielastic neutron scattering measurements carried out on Poly Vinyl Alcohol (PVA) based hydrogels are reported here. PVA hydrogels are formed using Borax as a cross-linking agent in D2O solvent. This synthetic polymer can be used for obtaining the hydrogels with potential use in the field of biomaterials. The aim of this paper is to study the dynamics of polymer chain in the hydrogel since it is known that polymer mobility influences the kinetics of loading and release of drugs. It is found that the dynamics of hydrogen atoms in the polymer chain could be described by a model where the diffusion of hydrogen atoms is limited within a spherical volume of radius 3.3 Å. Average diffusivity estimated from the behavior of quasielastic width is found to be 1.2 × 10-5 cm2/sec.

  2. Self-Assembly of Pluronic Block Copolymers in Solutions: Simulation and Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Zhang, Zhe; Hong, Kunlun; Do, Changwoo; Biology and Soft-Matter Division, Oak Ridge National Laboratory Team; Chemical Science Division, Oak Ridge National Laboratory Team

    2014-03-01

    Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymers in water solution display various phase behaviors such as micellar, lamellar, and hexagonal phases and have been of great interest to researchers for their wide range of applications including templates of various nanostructures in solar cell and transportation of nanoparticles in drug delivery. In this study, we combined density functional theory-based mesoscale simulation and small-angle neutron scattering (SANS) experiments to investigate equilibrium structures of L62/water systems at different concentrations. Various simulation parameters found in the literature have been revisited with the experimental findings. Scattering experiments were found to be an excellent. This research is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Energy Division.

  3. Small-angle neutron scattering studies from solutions of bovine nasal cartilage proteoglycan

    SciTech Connect

    Patel, A.; Stivala, S.S.; Damle, S.P.; Gregory, J.D.; Bunick, G.J.; Uberbacher, E.C.

    1985-08-01

    Small-angle neutron scattering, SANS, of the proteoglycan subunit of bovine nasal cartilage in 0.15N LiCl at 25/sup 0/C yielded the radius of gyration, R/sub g/, radius of gyration of the cross-section, R/sub q/, persistence length, a, and the molecular weight, M. The following values were obtained: M = 3.9 x 10/sup 6/, R/sub g/ = 745 A, R/sub q/ = 34.6 A and a = 35.2 A. These values compare favorably with those that were obtained from small angle x-ray scattering, SAXS, of a similar extract. The scattering curve of the proteoglycan subunit in D/sub 2/O showed a characteristic broad peak in the specified angular range similar to that observed from SAXS, thus confirming the polyelectrolyte nature of the proteoglycan. 15 refs., 3 figs., 1 tab. (DT)

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

    PubMed

    Fernandez-Castanon, J; Bomboi, F; Rovigatti, L; Zanatta, M; Paciaroni, A; Comez, L; Porcar, L; Jafta, C J; Fadda, G C; Bellini, T; Sciortino, F

    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. PMID:27586949

  5. Kinetics of structural reorganizations in multilamellar photosynthetic membranes monitored by small-angle neutron scattering.

    PubMed

    Nagy, Gergely; Kovács, László; Ünnep, Renáta; Zsiros, Ottó; Almásy, László; Rosta, László; Timmins, Peter; Peters, Judith; Posselt, Dorthe; Garab, Győző

    2013-07-01

    We demonstrate the power of time-resolved small-angle neutron scattering experiments for the investigation of the structure and structural reorganizations of multilamellar photosynthetic membranes. In addition to briefly summarizing our results on thylakoid membranes isolated from higher plants and in unicellular organisms, we discuss the advantages and technical and methodological limitations of time-resolved SANS. We present a detailed and more systematical investigation of the kinetics of light-induced structural reorganizations in isolated spinach thylakoid membranes, which show how changes in the repeat distance and in the long-range order of the multilamellar membranes can be followed with a time resolution of seconds. We also present data from comparative measurements performed on thylakoid membranes isolated from tobacco. PMID:23839900

  6. Aggregation in concentrated protein solutions: Insights from rheology, neutron scattering and molecular simulations

    NASA Astrophysics Data System (ADS)

    Castellanos, Maria Monica

    Aggregation of therapeutic proteins is currently one of the major challenges in the bio-pharmaceutical industry, because aggregates could induce immunogenic responses and compromise the quality of the product. Current scientific efforts, both in industry and academia, are focused on developing rational approaches to screen different drug candidates and predict their stability under different conditions. Moreover, aggregation is promoted in highly concentrated protein solutions, which are typically required for subcutaneous injection. In order to gain further understanding about the mechanisms that lead to aggregation, an approach that combined rheology, neutron scattering, and molecular simulations was undertaken. Two model systems were studied in this work: Bovine Serum Albumin in surfactant-free Phosphate Buffered Saline at pH = 7.4 at concentrations from 11 mg/mL up to ˜519 mg/mL, and a monoclonal antibody in 20 mM Histidine/Histidine Hydrochloride at pH = 6.0 with 60 mg/mL trehalose and 0.2 mg/mL polysorbate-80 at concentrations from 53 mg/mL up to ˜220 mg/mL. The antibody used here has three mutations in the CH2 domain, which result in lower stability upon incubation at 40 °C with respect to the wild-type protein, based on size-exclusion chromatography assays. This temperature is below 49 °C, where unfolding of the least stable, CH2 domain occurs, according to differential scanning calorimetry. This dissertation focuses on identifying the role of aggregation on the viscosity of protein solutions. The protein solutions of this work show an increase in the low shear viscosity in the absence of surfactants, because proteins adsorb at the air/water interface forming a viscoelastic film that affects the measured rheology. Stable surfactant-laden protein solutions behave as simple Newtonian fluids. However, the surfactant-laden antibody solution also shows an increase in the low shear viscosity from bulk aggregation, after prolonged incubation at 40 °C. Small

  7. On the neutron scattering length density of proteins in H2O/D2O

    NASA Astrophysics Data System (ADS)

    Efimova, Y. M.; van Well, A. A.; Hanefeld, U.; Wierczinski, B.; Bouwman, W. G.

    2004-07-01

    The structure of the protein layers adsorbed at different interfaces can be determined by using neutron-reflection and small-angle neutron scattering. For highlighting the adsorbed protein layer at the interface, the technique of contrast-variation by changing the H2O/D2O ratio, is often used. For determining the scattering length density, both the protein volume in solution and the total scattering length of the protein is needed. The volume is calculated from the amino-acid sequence. For calculating the scattering length, the H/D exchange of the labile protons of the protein should be taken into account. For monitoring the H/D exchange, Positive Electrospray Ionization Mass Spectroscopy was applied. We compare experimental results for the exchange in lysozyme and β-casein with theoretical calculations. The importance of using the correct protein scattering-length density is elucidated by simultaneous model fitting to neutron reflection data at different water contrasts.

  8. Theory of magnetic neutron scattering for s- and d-wave superconductivity in cuprates

    NASA Astrophysics Data System (ADS)

    Dahm, T.; Rieck, C. T.; Tewordt, L.; Wermbter, S.

    1994-04-01

    We present a microscopic theory for strong spin-fluctuation exchange interaction and an additional electron-phonon interaction α 2F( q, ω). For an appropriate α 2F being independent of q we find s-wave superconductivity, whereas for an α 2F which is strongly suppressed at larger q due to strong electron correlations we find d-wave superconductivity. The resulting spectral weights of the dynamic spin susceptibility are in qualitative agreement with the neutron scattering data obtained on La 1.86Sr 0.14CuO 4 and YBa 2Cu 3O 6.92, respectively. For the d-wave pairing case the electronic thermal conductivity and the low-frequency electrical conductivity exhibit broad, but relatively small peaks below Tc. The quasiparticle relaxation rate decreases rapidly as T drops below Tc, in qualitative agreement with microwave and ultrafast laser measurements on YBCO and BISCO.

  9. Hydration-dependent dynamics of human telomeric oligonucleotides in the picosecond timescale: A neutron scattering study

    SciTech Connect

    Sebastiani, F.; Comez, L.; Sacchetti, F.; Orecchini, A.; Petrillo, C.; Paciaroni, A.; De Francesco, A.; Teixeira, S. C. M.

    2015-07-07

    The dynamics of the human oligonucleotide AG{sub 3}(T{sub 2}AG{sub 3}){sub 3} has been investigated by incoherent neutron scattering in the sub-nanosecond timescale. A hydration-dependent dynamical activation of thermal fluctuations in weakly hydrated samples was found, similar to that of protein powders. The amplitudes of such thermal fluctuations were evaluated in two different exchanged wave-vector ranges, so as to single out the different contributions from intra- and inter-nucleotide dynamics. The activation energy was calculated from the temperature-dependent characteristic times of the corresponding dynamical processes. The trends of both amplitudes and activation energies support a picture where oligonucleotides possess a larger conformational flexibility than long DNA sequences. This additional flexibility, which likely results from a significant relative chain-end contribution to the average chain dynamics, could be related to the strong structural polymorphism of the investigated oligonucleotides.

  10. Progesterone and testosterone studies by neutron scattering and nuclear magnetic resonance methods and quantum chemistry calculations

    NASA Astrophysics Data System (ADS)

    Szyczewski, A.; Hołderna-Natkaniec, K.; Natkaniec, I.

    2004-05-01

    Inelastic incoherent neutron scattering spectra of progesterone and testosterone measured at 20 and 290 K were compared with the IR spectra measured at 290 K. The Phonon Density of States spectra display well resolved peaks of low frequency internal vibration modes up to 1200 cm -1. The quantum chemistry calculations were performed by semiempirical PM3 method and by the density functional theory method with different basic sets for isolated molecule, as well as for the dimer system of testosterone. The proposed assignment of internal vibrations of normal modes enable us to conclude about the sequence of the onset of the torsion movements of the CH 3 groups. These conclusions were correlated with the results of proton molecular dynamics studies performed by NMR method. The GAUSSIAN program had been used for calculations.

  11. A new 40 m small angle neutron scattering instrument at HANARO, Korea

    NASA Astrophysics Data System (ADS)

    Han, Young-Soo; Choi, Sung-Min; Kim, Tae-Hwan; Lee, Chang-Hee; Cho, Sang-Jin; Seong, Baek-Seok

    2013-09-01

    A new 40 m Small Angle Neutron Scattering (SANS) instrument was constructed, and has been opened to outside users since November 2010 at HANARO, Korea. The instrument is equipped with state-of-the-art components, and the performance of the instrument is comparable to that of advanced SANS instruments. The flux at the sample position is measured as 2.9×107/cm2 s with a wavelength of 5 Å and a collimation length of 1.7 m. The Q-range of the instrument covers from 0.0007 to 1.1 Å-1 when the lens option is applied. In this paper, the design and characteristics of the 40 m SANS instrument are described, and data showing their performance are presented.

  12. Aggregates structure analysis of petroleum asphaltenes with small-angle neutron scattering.

    SciTech Connect

    Tanaka, R.; Hunt, J. E.; Winans, R. E.; Thiyagarajan, P.; Sato, S.; Takanohashi, T.; Idemitsu Kosan Co.; National Institute of Advanced Industrial Science and Technology

    2003-01-01

    The objective of this study is to examine changes in the structures of petroleum asphaltene aggregates in situ with small-angle neutron scattering (SANS). Asphaltenes were isolated from three different crude oils: Maya, Khafji, and Iranian Light. An aliquot of the 5 wt % asphaltene solution in deuterated Decalin, 1-methylnaphthalene, or quinoline was loaded in a special stainless steel cell for SANS measurements. SANS data measured at various temperatures from 25 to 350 {sup o}C showed various topological features different with asphaltene or solvent species. A fractal network was formed only with asphaltene of Maya in Decalin, and it remained even at 350 {sup o}C. In all of the solvents, asphaltenes aggregate in the form of a prolate ellipsoid with a high aspect ratio at 25 {sup o}C and got smaller with increasing temperature. That became a compact sphere with the size of around 25 {angstrom} in radius at 350 {sup o}C.

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

    NASA Astrophysics Data System (ADS)

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

    2002-02-01

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

  14. Thirty meters small angle neutron scattering instrument at China advanced research reactor

    NASA Astrophysics Data System (ADS)

    Zhang, Hongxia; Cheng, He; Yuan, Guangcui; Han, Charles C.; Zhang, Li; Li, Tianfu; Wang, Hongli; Liu, Yun Tao; Chen, Dongfeng

    2014-01-01

    A high resolution 30 m small angle neutron scattering (SANS) instrument has been constructed by the Institute of Chemistry, Chinese Academy of Sciences (ICCAS), and installed at China Advanced Research Reactor (CARR). It is equipped with a mechanical velocity selector, pinhole (including multi-pinhole) collimation system, sample chamber, and high resolution two dimensional 3He position sensitive neutron detector. The flexible variations of incident neutron wavelength, source to sample distance, sample to detector distance and the presence of neutron focusing lenses enable a wide Q range from 0.001 Å-1 to 0.5 Å-1 in reciprocal space and to optimize the resolution required. The instrument is the first SANS instrument in China, and can be widely used for the structure characterization of various materials, as well as kinetic and dynamic observation during external stimulation. The design and characteristics of the instrument are presented in the manuscript.

  15. Development and application of setup for ac magnetic field in neutron scattering experiments.

    PubMed

    Klimko, Sergey; Zhernenkov, Kirill; Toperverg, Boris P; Zabel, Hartmut

    2010-10-01

    We report on a new setup developed for neutron scattering experiments in periodically alternating magnetic fields at the sample position. The assembly consisting of rf generator, amplifier, wide band transformer, and resonance circuit. It allows to generate homogeneous ac magnetic fields over a volume of a few cm(3) and variable within a wide range of amplitudes and frequencies. The applicability of the device is exemplified by ac polarized neutron reflectometry (PNR): a new method established to probe remagnetization kinetics in soft ferromagnetic films. Test experiments with iron films demonstrate that the ac field within the accessible range of frequencies and amplitudes produces a dramatic effect on the PNR signal. This shows that the relevant ac field parameters generated by the device match well with the scales involved in the remagnetization processes. Other possible applications of the rf unit are briefly discussed. PMID:21034083

  16. Development and application of setup for ac magnetic field in neutron scattering experiments

    SciTech Connect

    Klimko, Sergey; Zhernenkov, Kirill; Toperverg, Boris P.; Zabel, Hartmut

    2010-10-15

    We report on a new setup developed for neutron scattering experiments in periodically alternating magnetic fields at the sample position. The assembly consisting of rf generator, amplifier, wide band transformer, and resonance circuit. It allows to generate homogeneous ac magnetic fields over a volume of a few cm{sup 3} and variable within a wide range of amplitudes and frequencies. The applicability of the device is exemplified by ac polarized neutron reflectometry (PNR): a new method established to probe remagnetization kinetics in soft ferromagnetic films. Test experiments with iron films demonstrate that the ac field within the accessible range of frequencies and amplitudes produces a dramatic effect on the PNR signal. This shows that the relevant ac field parameters generated by the device match well with the scales involved in the remagnetization processes. Other possible applications of the rf unit are briefly discussed.

  17. Small-angle neutron scattering of nanocrystalline gadolinium and holmium with random paramagnetic susceptibility.

    PubMed

    Döbrich, Frank; Bick, Jens-Peter; Birringer, Rainer; Wolff, Matthias; Kohlbrecher, Joachim; Michels, Andreas

    2015-02-01

    A neutron study of nanocrystalline terbium (Balaji G et al 2008 Phys. Rev. Lett. 100 227202) has shown that the randomly oriented anisotropy of the paramagnetic susceptibility tensor may lead to strongly correlated nanoscale spin disorder in the paramagnetic state which can be probed very effectively by magnetic small-angle neutron scattering (SANS). In principle, this scenario is also applicable to other rare-earth metals and the size of the effect is expected to scale with the strength of the anisotropy in the paramagnetic state. Here, we report SANS results (in the paramagnetic state) on nanocrystalline inert-gas condensed samples of Gd and Ho, which represent the cases of low and high anisotropy, respectively. PMID:25563439

  18. Small-angle neutron scattering of nanocrystalline gadolinium and holmium with random paramagnetic susceptibility

    NASA Astrophysics Data System (ADS)

    Döbrich, Frank; Bick, Jens-Peter; Birringer, Rainer; Wolff, Matthias; Kohlbrecher, Joachim; Michels, Andreas

    2015-02-01

    A neutron study of nanocrystalline terbium (Balaji G et al 2008 Phys. Rev. Lett. 100 227202) has shown that the randomly oriented anisotropy of the paramagnetic susceptibility tensor may lead to strongly correlated nanoscale spin disorder in the paramagnetic state which can be probed very effectively by magnetic small-angle neutron scattering (SANS). In principle, this scenario is also applicable to other rare-earth metals and the size of the effect is expected to scale with the strength of the anisotropy in the paramagnetic state. Here, we report SANS results (in the paramagnetic state) on nanocrystalline inert-gas condensed samples of Gd and Ho, which represent the cases of low and high anisotropy, respectively.

  19. Collective excitations in liquid CD4: Neutron scattering and molecular-dynamics simulations

    NASA Astrophysics Data System (ADS)

    Guarini, E.; Bafile, U.; Barocchi, F.; Demmel, F.; Formisano, F.; Sampoli, M.; Venturi, G.

    2005-12-01

    We have investigated the dynamic structure factor S(Q,ω) of liquid CD4 at T = 97.7 K in the wave vector range 2 <= Q/nm-1 <= 15 by means of neutron scattering and molecular-dynamics simulation, in order to study the centre-of-mass collective dynamics. The agreement between the experimental spectra and those simulated using a recent ab initio based intermolecular potential is good, particularly at low Q. Underdamped collective excitations, detected in the whole experimental Q-range, characterize the dynamics of liquid CD4 as markedly different from that of other molecular liquids. Also, the energy and damping of collective excitations in methane are shown to differ considerably, even at the lowest measured Q-values, from those of linearized hydrodynamic modes. An empirical relation, able to reconcile the different wave vector ranges of mode propagation observed in disparate liquids, is investigated.

  20. Solvent Effects on the Flow of Lyotropic Polymers as Determined by Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Dadmun, Mark D.; Chidambaram, Sudha; Hamilton, William H.; Butler, Paul

    1997-03-01

    Small angle neutron scattering is utilized to examine the orientation of liquid crystalline polymer solutions under a flow field. It is found that the alignment behavior of poly(benzyl L-glutamate) (PBLG) in deuterated benzyl alcohol (DBA) differs significantly from the alignment of PBLG in deuterated m-cresol (DMC) while a liquid crystalline solution of hydroxypropylcellulose in deuterated water exhibits similar alignment behavior to the PBLG/DBA solution. This is unexpected as DMC is an isomer of DBA while PBLG is a rigid molecule in solution and HPC behaves as a semiflexible or wormlike molecule. To better understand this behavior the relaxation of shear induced orientation in PBLG/DBA and PBLG/DMC after the cessation of shear is currently under investigation. Preliminary results show that an aligned state is stable up to 6 hours after the cessation of shear for the PBLG/DMC solution while the alignment of PBLG in DBA readily relaxes.

  1. Flow Induced Structures in Liquid Crystalline Polymers as Studied by Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Dadmun, Mark

    2000-03-01

    Small angle neutron scattering has been utilized to examine the orientation of liquid crystalline polymer systems during and after the application of a flow field. Thermotropic systems show unique behavior including perpendicular orientation to the flow direction at low temperature and a temperature dependence of the molecular orientation within in the nematic regime. It is also found that the orientation is long-lived after the removal of the shear field in the thermotropic system. In lyotropic systems, however, an interesting dependence on solvent is found. The alignment behavior of poly(benzyl L-glutamate) (PBLG) in deuterated benzyl alcohol (DBA) differs significantly from the alignment of PBLG in deuterated m-cresol (DMC) during shear and upon shear cessation. This is unexpected, as DMC is an isomer of DBA. Possible explanations for this behavior will be discussed.

  2. Incoherent Quasielastic Neutron Scattering study of hydrogen diffusion in thorium-zirconium hydrides

    NASA Astrophysics Data System (ADS)

    Terrani, Kurt A.; Mamontov, Eugene; Balooch, Mehdi; Olander, Donald R.

    2010-06-01

    Monophase thorium-zirconium hydrides (ThZr 2H x) have been fabricated starting from a metallic alloy and the hydrogen stoichiometry determined by X-ray diffraction. Incoherent Quasielastic Neutron Scattering (IQNS) on the hydrides was conducted over the temperature range 650-750 K at the Backscattering Silicon Spectrometer (BASIS) at the Spallation Neutron Source (SNS) at ORNL. The isotropic Chudley-Elliott model was utilized to analyze the quasielastic linewidth broadening data as function of momentum transfer. The diffusion coefficient and average jump distance of hydrogen atoms in ThZr 2H 5.6 and ThZr 2H 6.2 were extracted from the measurements.

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

    SciTech Connect

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

    2009-02-26

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

  4. Small Angle X-ray and Neutron Scattering in the Study of Polymers and Supramolecular Systems

    NASA Astrophysics Data System (ADS)

    Zeng, X. B.; Liu, F.; Xie, F.; Ungar, G.; Tschierske, C.; MacDonald, J. E.

    2008-03-01

    Some recent work carried out in our research group on complex structures found in polymers and supramolecular systems, using Small Angle X-ray and Neutron Scattering (SAXS and SANS) methods, are reviewed. These include, Combined SAXS and SANS study of superlattice structures in pure and mixed model polymers; Real-time SANS study of transient phases during polymer crystallization; Columnar phases with polygonal cross-sections in T-shaped polyphilic compounds;Complex 3-d phases formed by packing spherical objects (e.g. micelles self-assembled from tree-like molecules), including the recently discovered liquid quasi-crystals which possess 12-fold rotational symmetry. Examples of powder, fibre or surface oriented, and single-domain diffractions will be given. Reconstruction of electron density maps as well as computer modelling are also applied to help solving various complex structures.

  5. A neutron scattering study on the stability of trehalose mycolates under thermal stress

    NASA Astrophysics Data System (ADS)

    Migliardo, F.; Salmeron, C.; Bayan, N.

    2013-10-01

    The present paper is focused on the study of the dynamics of mycolic acids, which are fundamental components of the outer membrane (mycomembrane) of Mycobacterium tuberculosis. An elastic neutron scattering study of mycolic acid/H2O and lecithin/H2O mixtures as a function of temperature and exchanged wavevector Q has been carried out. This study provides an effective way for characterizing the dynamical properties, furnishing a set of parameters characterizing the different flexibility and rigidity of the investigated lipids. The behavior of the elastically scattered intensity profiles and the derived mean square displacements as a function of temperature shows a more marked temperature dependence for lecithin lipids in comparison with mycolic acids, so revealing a higher thermal stability of these latter. These findings could be useful for understanding the dynamics-function relation in the mycomembrane and then to relate it to the low permeability and high resistance of mycobacteria to many antibiotics.

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

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

  7. Polyhydroxyalkanoate-based natural synthetic hybrid copolymer films: A small-angle neutron scattering study

    NASA Astrophysics Data System (ADS)

    Foster, L. John R.; Knott, Robert; Sanguanchaipaiwong, Vorapat; Holden, Peter J.

    2006-11-01

    Polyhydroxyalkanoates have attracted attention as biodegradable alternatives to conventional thermoplastics and as biomaterials. Through modification of their biosynthesis using Pseudomonas oleovorans, we have manipulated the material properties of these biopolyesters and produced a natural-synthetic hybrid copolymer of polyhydroxyoctanoate- block-diethylene glycol (PHO- b-DEG). A mixture of PHO and PHO-DEG were solvent cast from analytical grade chloroform and analysed using small-angle neutron scattering. A scattering pattern, easily distinguished above the background, was displayed by the films with a diffraction ring at q∼0.12 Å -1. This narrow ring of intensity is suggestive of a highly ordered system. Analysis of the diffraction pattern supported this concept and showed a d-spacing of approximately 50 Å. In addition, conformation of the hybrid polymer chains can be manipulated to support their self-assembly into ordered microporous films.

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

    SciTech Connect

    González, Gabriela B.

    2012-10-23

    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).

  9. Small-angle neutron scattering from polymer hydrogels with memory effect for medicine immobilization

    SciTech Connect

    Kulvelis, Yu. V. Lebedev, V. T.; Trunov, V. A.; Pavlyuchenko, V. N.; Ivanchev, S. S.; Primachenko, O. N.; Khaikin, S. Ya.

    2011-12-15

    Hydrogels synthesized based on cross-linked copolymers of 2-hydroxyethyl methacrylate and functional monomers (acrylic acid or dimethylaminoethyl methacrylate), having a memory effect with respect to target medicine (cefazolin), have been investigated by small-angle neutron scattering. The hydrogels are found to have a two-level structural organization: large (up to 100 nm) aggregates filled with network cells (4-7 nm in size). The structural differences in the anionic, cationic, and amphiphilic hydrogels and the relationship between their structure and the ability of hydrogels to absorb moisture are shown. A relationship between the memory effect during cefazolin immobilization and the internal structure of hydrogels, depending on their composition and type of functional groups, is established.

  10. Small angle neutron scattering study on the structural variation of lysozyme in bioprotectants

    NASA Astrophysics Data System (ADS)

    Koda, Shota; Takayama, Haruki; Shibata, Tomohiko; Mori, Tatsuya; Kojima, Seiji; Park, In-Sung; Shin, Tae-Gyu

    2015-05-01

    The thermal denaturation and subsequent structural variation of lysozyme in various bioprotectant candidate solutions such as trehalose and choline acetate have been investigated by using small angle neutron scattering and differential scanning calorimetry. The gyration radius shows little change with the addition of additives in a native state at room temperature. On heating the lysozyme solution, a remarkable increase in the gyration radius is observed at temperatures above the denaturation temperature without any bioprotectants. Such an increase is suppressed by the additives owing to the intermolecular interactions between the lysozyme molecules and the bioprotectants of trehalose and choline acetate. The fractal dimension of lysozyme varies slightly with the addition of the bioprotectant solutions, and shows a remarkable drop in the vicinity of the denaturation temperature for all the solutions.

  11. Small-angle neutron scattering studies on nonionic surfactant: Effect of sugars

    NASA Astrophysics Data System (ADS)

    Shivaji Sharma, K.; Joshi, J. V.; Aswal, V. K.; Goyal, P. S.; Rakshit, A. K.

    2004-08-01

    Micellar solution of nonionic surfactant n-dodecyloligo ethyleneoxide surfactant, decaoxyethylene monododecyl ether [CH3(CH2)11(OCH2CH2) 10OH], C12E10 in D2O solution have been analysed by small-angle neutron scattering (SANS) at different temperatures (30, 45 and 60oC) both in the presence and absence of sugars. The structural parameters like micelle shape and size, aggregation number and micellar density have been determined. It is found that the micellar structure significantly depends on the temperature and concentration of sugars. The micelles are found to be prolate ellipsoids at 30oC and the axial ratio of the micelle increases with the increase in temperature. The presence of lower concentration of sugar reduces the size of micelles and it grows at higher concentration of sugar. The structure of micelles is almost independent of the different types of sugars used.

  12. A neutron scattering and modelling study of aqueous solutions of tetramethylammonium and tetrapropylammonium bromide.

    PubMed

    Nilsson, Emelie J; Alfredsson, Viveka; Bowron, Daniel T; Edler, Karen J

    2016-04-20

    We have investigated the properties in water of two tetraalkylammonium bromides (tetramethylammonium, TMA(+), and tetrapropylammonium, TPA(+)), at 0.4 M, using neutron scattering coupled with empirical potential structure refinement to arrive at an atomistic description. Having both a polar and an apolar moiety, it is of interest to determine the strength of each moiety as a function of the alkyl chain length. TMA(+) and TPA(+), having different impact as structure directors in zeolite synthesis, were chosen for this study. Water arranges tetrahedrally around TMA(+) and in an almost featureless manner around TPA(+). TMA(+) and TPA(+) show an apolar hydration with TPA(+) being slightly more apolar. TPA(+) has a tendency to form small clusters of 2-4 molecules and to fold into a compact configuration. Both molecules correlate similarly with the bromide ion but do not dissociate completely at this concentration. PMID:27051995

  13. Magnetic Field and Pressure Dependence of Small Angle Neutron Scattering in MnSi

    SciTech Connect

    Pfleiderer, C.; Reznik, D.; Pintschovius, L.; Haug, J.

    2007-10-12

    We report small angle neutron scattering of spontaneous and magnetic field aligned components of the helical spin polarization in MnSi for temperatures T down to 0.35 K, at pressures p up to 21 kbar, and magnetic field B up to 0.7 T. The parameter range of our study spans the first order transition between helical order and partial magnetic order at p{sub c}=14.6 kbar, which coincides with the onset of an extended regime of non-Fermi liquid resistivity. Our study suggests that MnSi above p{sub c} is not dominated by the remnants of the first order transition at p{sub c}, but that an unidentified mechanism favors stabilization of a new ground state other than helical order.

  14. Dynamics of Molecules Adsorbed in Zeolitic Systems: Neutron Scattering and MD Simulation Studies

    SciTech Connect

    Mitra, S.; Sharma, V. K.; Mukhopadhyay, R.

    2011-07-15

    Zeolites represent a class of technologically important materials because of their characteristic properties of molecular sieving and catalysis, which makes them indispensable in the petroleum industries. While the catalytic properties depend upon many factors, a major role is played by the dynamics of hydrocarbon gases. In order to be able to tailor make these materials for use in industry for catalytic and sieving purposes, it is important to understand the dynamical properties of the guest molecules adsorbed in the zeolitic materials. It is of interest to study the effects of size and shape of guest molecules and also the host zeolitic structure, governing the diffusion mechanism of the adsorbed species. Here we report the results of Quasielastic Neutron Scattering (QENS) and classical molecular dynamics (MD) simulation studies of two hydrocarbons namely acetylene and propylene adsorbed in two structurally different zeolites Na-Y and ZSM-5.

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

    SciTech Connect

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

    2014-06-01

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

  16. Multiple magnetic scattering in small-angle neutron scattering of Nd–Fe–B nanocrystalline magnet

    PubMed Central

    Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P.; Keiderling, Uwe; Ono, Kanta

    2016-01-01

    We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd–Fe–B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd–Fe–B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd–Fe–B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters. PMID:27321149

  17. Magnetic neutron scattering by magnetic vortices in thin submicron-sized soft ferromagnetic cylinders

    PubMed Central

    Metlov, Konstantin L.; Michels, Andreas

    2016-01-01

    Using analytical expressions for the magnetization textures of thin submicron-sized magnetic cylinders in vortex state, we derive closed-form algebraic expressions for the ensuing small-angle neutron scattering (SANS) cross sections. Specifically, for the perpendicular and parallel scattering geometries, we have computed the cross sections for the case of small vortex-center displacements without formation of magnetic charges on the side faces of the cylinder. The results represent a significant qualitative and quantitative step forward in SANS-data analysis on isolated magnetic nanoparticle systems, which are commonly assumed to be homogeneously or stepwise-homogeneously magnetized. We suggest a way to extract the fine details of the magnetic vortex structure during the magnetization process from the SANS measurements in order to help resolving the long-standing question of the magnetic vortex displacement mode. PMID:27112640

  18. Fast proton hopping detection in ice I{sub h} by quasi-elastic neutron scattering.

    SciTech Connect

    Presiado, I.; Lal, J.; Mamontov, E.; Kolesnikov, A. I.; Huppert, D.

    2011-01-01

    Quasi-elastic neutron scattering was employed on samples of HCl-doped polycrystalline ice I{sub h}. The analysis of the scattering signal provides the excess proton hopping time, {tau}{sub hop}, in the temperature range of 140-195 K. The hopping time strongly depends on the temperature of the sample, and the activation energy of a hopping step is 17 kJ/mol. The values of {tau}{sub hop} of the current experiment are in good agreement with calculated values derived from previous photochemical experiments, in which we found that the proton hopping time at T > 242 K is on the order of 200 fs, roughly 10 times shorter than in liquid water at room temperature.

  19. Fast Proton Hopping Detection in Ice Ih by Quasi-Elastic Neutron Scattering

    SciTech Connect

    Presiado, Itay; Lal, Jyotsana; Mamontov, Eugene; Kolesnikov, Alexander I; Huppert, Dan I

    2011-01-01

    Quasi-elastic neutron scattering was employed on samples of HCl-doped polycrystalline ice I{sub h}. The analysis of the scattering signal provides the excess proton hopping time, {tau}{sub hop}, in the temperature range of 140-195 K. The hopping time strongly depends on the temperature of the sample, and the activation energy of a hopping step is 17 kJ/mol. The values of {tau}{sub hop} of the current experiment are in good agreement with calculated values derived from previous photochemical experiments,(1) in which we found that the proton hopping time at T > 242 K is on the order of 200 fs, roughly 10 times shorter than in liquid water at room temperature.

  20. Structure of nanocrystalline palladium and copper studied by small angle neutron scattering

    SciTech Connect

    Sanders, P.G.; Weertman, J.R.; Barker, J.G.

    1996-12-01

    The structure of nanocrystalline palladium and copper, made by inert gas condensation and compaction, was studied using small angle neutron scattering (SANS), optical microscopy, and scanning electron microscopy. The effects of annealing and warm compaction were also examined with these techniques. The SANS results were interpreted using a maximum entropy routine, combined with knowledge of the Archimedes density and hydrogen concentration determined by prompt gamma activation analysis (PGAA). Similar hydrogen concentrations were detected by SANS and PGAA. This hydrogen content, which was approximately 5 at.{percent} in samples compacted at room temperature, was reduced by both annealing and warm compaction. Defects in several size classes were observed, including missing grain pores ({approx_equal}1{endash}50 nm diameter) and defects of micrometer size. Warm compaction produced a lower number density of pores in nanocrystalline palladium, which led to increased density. The observed structure was correlated with Vickers microhardness and fracture surface morphology. {copyright} {ital 1996 Materials Research Society.}

  1. Neutron scattering studies on protein dynamics using the human myelin peripheral membrane protein P2

    NASA Astrophysics Data System (ADS)

    Laulumaa, Saara; Kursula, Petri; Natali, Francesca

    2015-01-01

    Myelin is a multilayered proteolipid membrane structure surrounding selected axons in the vertebrate nervous system, which allows the rapid saltatory conduction of nerve impulses. Deficits in myelin formation and maintenance may lead to chronic neurological disease. P2 is an abundant myelin protein from peripheral nerves, binding between two apposing lipid bilayers. We studied the dynamics of the human myelin protein P2 and its mutated P38G variant in hydrated powders using elastic incoherent neutron scattering. The local harmonic vibrations at low temperatures were very similar for both samples, but the mutant protein had increased flexibility and softness close to physiological temperatures. The results indicate that a drastic mutation of proline to glycine at a functional site can affect protein dynamics, and in the case of P2, they may explain functional differences between the two proteins.

  2. A new small-angle neutron scattering spectrometer at China Mianyang research reactor

    NASA Astrophysics Data System (ADS)

    Peng, Mei; Sun, Liangwei; Chen, Liang; Sun, Guangai; Chen, Bo; Xie, Chaomei; Xia, Qingzhong; Yan, Guanyun; Tian, Qiang; Huang, Chaoqiang; Pang, Beibei; Zhang, Ying; Wang, Yun; Liu, Yaoguang; Kang, Wu; Gong, Jian

    2016-02-01

    A new pinhole small-angle neutron scattering (SANS) spectrometer, installed at the cold neutron source of the 20 MW China Mianyang Research Reactor (CMRR) in the Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, has been put into use since 2014. The spectrometer is equipped with a multi-blade mechanical velocity selector, a multi-beam collimation system, and a two-dimensional He-3 position sensitive neutron detector. The q-range of the spectrometer covers from 0.01 nm-1 to 5.0 nm-1. In this paper, the design and characteristics of the SANS spectrometer are described. The q-resolution calculations, together with calibration measurements of silver behenate and a dispersion of nearly monodisperse poly-methyl-methacrylate nanoparticles indicate that our SANS spectrometer has a good performance and is now in routine service.

  3. Small angle neutron scattering as fingerprinting of ancient potteries from Sicily (Southern Italy)

    SciTech Connect

    Barone, G.; Mazzoleni, P.; Crupi, V.; Majolino, D.; Venuti, V.; Teixeira, J.

    2009-09-01

    Small angle neutron scattering measurements have been carried out in order to investigate, in microdestructive way, the mesoscopic structure of a variety of potteries of relevance to cultural heritage coming from different Sicilian (Southern Italy) archeological sites belonging to the 'Strait of Messina' area and dated back to 7th-3rd century B.C. Data have been compared with the mesoscopic parameters extracted for two series of clayey sediments typical of the Strait of Messina area and fired under controlled conditions. The observed agreement between the features of reference and archeological samples allowed us to estimate the maximum firing temperature of the latter. Information on the pore sizes was obtained by the use of the concept of fractal surface, and compared with porosimetry results.

  4. Dynamic structure of liquid Se, Te and Se-Te mixtures by neutron scattering measurements

    SciTech Connect

    Chiba, Ayano; Yao, Makoto; Ohmasa, Yoshinori; Taylor, Jon; Bennington, Stephen M.

    2004-04-30

    Inelastic neutron scattering measurements are performed to investigate the dynamic structure of liquid Se, Te, and Te50Se50. The bond-stretching modes for liquid Se and Te50Se50 (both are in the semiconducting phase) are clearly observed at higher-energy regions than that for their trigonal phase. This shift is a reflection of their pronounced molecular-like properties without prominent inter-molecular interactions, whereas the vibrational modes for liquid Te (in the metallic phase) show its metallic-like bonding character with remarkable inter-molecular interactions. We thus observed a change in dynamic structure that accompanies the semiconductor-to-metal transition; the change that would be related to the slow dynamics induced by the transition.

  5. Combined molecular dynamics and neutron scattering study of alpha-lactalbumin

    NASA Astrophysics Data System (ADS)

    Tarek, M.; Neumann, D. A.; Tobias, D. J.

    2002-03-01

    Molecular dynamics simulations and quasielastic neutron scattering have been used to elucidate differences in the dynamics of the native state and the partially folded, molten globule state of the protein, alpha-lactalbumin in solution. The neutron results, which are dominated by scattering from non-labile protons, demonstrate that the side-chains in the molten globules are significantly more mobile than those in the native protein. Molecular dynamics results, which reproduce the measured quasielastic neutron spectra extremely well, show that the observed dynamic changes arise primarily from the particular region of the protein that forms a beta sheet in the native state and unfolds to a random coil in the molten globule. Thus the spectroscopic results clearly reflect the formation of secondary structures that occurs as a protein folds.

  6. The microscopic basis of the glass transition in polymers from neutron scattering studies.

    PubMed

    Frick, B; Richter, D

    1995-03-31

    Recent neutron scattering experiments on the microscopic dynamics of polymers below and above the glass transition temperature T(g) are reviewed. The results presented cover different dynamic processes appearing in glasses: local motions, vibrations, and different relaxation processes such as alpha- and beta-relaxation. For the alpha-relaxation, which occurs above T(g), it is possible to extend the time-temperature superposition principle, which is valid for polymers on a macroscopic scale, to the microscopic time scale. However, this principle is not applicable for temperatures approaching T(g). Below T(g), an inelastic excitation at a frequency of some hundred gigahertz (on the order of several wave numbers), the "boson peak," survives from a quasi-elastic overdamped scattering law at high temperatures. The connection between this boson peak and the fast dynamic process appearing near T(g) is discussed. PMID:17770103

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

    SciTech Connect

    Carmichael, Justin R; Omar Diallo, Souleymane

    2013-01-01

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

  8. Dynamics of hydrogen atoms in superoxide dismutase by quasielastic neutron scattering.

    PubMed Central

    Andreani, C; Filabozzi, A; Menzinger, F; Desideri, A; Deriu, A; Di Cola, D

    1995-01-01

    The low energy dynamic of the enzyme Cu,Zn superoxide dismutase have been investigated by means of quasielastic neutron scattering in the temperature range 4-320 K. Below 200 K the scattering is purely elastic, while above this temperature a pronounced decrease in the elastic intensity is observed, together with the onset of a small quasielastic component. This behavior is similar to that previously observed in other more flexible globular proteins, and can be attributed to transitions between slightly different conformational substates of the protein tertiary structure. The presence of only a small quasielastic component, whose intensity is < or = 25% of the total spectrum, is related to the high structural rigidity of this protein. PMID:7647254

  9. Magnetic neutron scattering by magnetic vortices in thin submicron-sized soft ferromagnetic cylinders

    NASA Astrophysics Data System (ADS)

    Metlov, Konstantin L.; Michels, Andreas

    2016-04-01

    Using analytical expressions for the magnetization textures of thin submicron-sized magnetic cylinders in vortex state, we derive closed-form algebraic expressions for the ensuing small-angle neutron scattering (SANS) cross sections. Specifically, for the perpendicular and parallel scattering geometries, we have computed the cross sections for the case of small vortex-center displacements without formation of magnetic charges on the side faces of the cylinder. The results represent a significant qualitative and quantitative step forward in SANS-data analysis on isolated magnetic nanoparticle systems, which are commonly assumed to be homogeneously or stepwise-homogeneously magnetized. We suggest a way to extract the fine details of the magnetic vortex structure during the magnetization process from the SANS measurements in order to help resolving the long-standing question of the magnetic vortex displacement mode.

  10. Neutron scattering and reactions as indispensable tools for fundamental and applied investigations in KINR

    NASA Astrophysics Data System (ADS)

    Dryapachenko, I. P.

    2000-03-01

    The Kyiv Institute of Nuclear Research (KINR) has been carring out fundamental researches and measurements in neutron physics since many years. A century of extreme historical political modifications unfortunately lead to the cessation of direct researches “on beam” on installations of institute (reactor, tandem, two cyclotron). The most negative tendencies, as it seems to us that must overcome, are these of conceptual and intellectual detachment from the world scientific community and very dangerous rupture between older and new (a lack) generations of the contributors. It is possible to arrest these destructive tendencies from becoming irreversible. Ukraine as the new independent state entering the Council of Europe motivates us to actively participate in the scientific creative process. The purpose of the present manuscript is to inform members of the European Association after Neutron Scattering concerning the existence in Ukraine, in our institute, of old traditions of occupations in the field of neutron physics and to offer interaction and cooperation in joint researches.

  11. Study of the enzyme ascorbate oxidase by small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Maritano, S.; Carsughi, F.; Fontana, M. P.; Marchesini, A.

    1996-09-01

    We report a study of the large scale structure of the "blue" copper enzyme ascorbate oxidase by small angle neutron scattering. The enzyme has been extracted from zucchini and studied in solutions of two different preparations. Contrast variation method was used by performing the measurements in water, heavy water and mixtures of H 2OD 2O. Our data show that, at least at the concentrations used here, the gyration radius of the enzyme is about 34 Å; with such a value our analysis is most consistent with a value of 70 KDa for the molecular weight of ascorbate oxidase in the conditions of our experiment. This is in contrast to the generally accepted value of 140 KDa, obtained by other techniques at high concentrations (e.g. greater than 2 mg ml -1). The possible origins of such a discrepancy are discussed.

  12. Kinetic analysis of spinodal decomposition process in Fe-Cr alloys by small angle neutron scattering

    SciTech Connect

    Ujihara, T.; Osamura, K.

    2000-04-19

    The rate of spinodal decomposition depends on the spatial composition distribution. In order to estimate the time dependence of its rate experimentally, the structure change was investigated in Fe-30 at.% Cr and Fe-50 at.% Cr alloys aged at 748, 773, 798, and 823 K via small angle neutron scattering and a kinetic analysis of experimental data was carried out by using the Langer-Bar-on-Miller (LBM) theory. Their theory contains a rate term of a physical meaning similar to the diffusion coefficient. As a result, it becomes clear that the rate term corresponding to the diffusion coefficient decreases as decomposition advances and this fact can be explained by the modified LBM theory considering the composition-dependent mobility.

  13. Stabilization of Model Membrane Systems by Disaccharides. Quasielastic Neutron Scattering Experiments and Atomistic Simulations

    NASA Astrophysics Data System (ADS)

    Doxastakis, Emmanouil; Garcia Sakai, Victoria; Ohtake, Satoshi; Maranas, Janna K.; de Pablo, Juan J.

    2006-03-01

    Trehalose, a disaccharide of glucose, is often used for the stabilization of cell membranes in the absence of water. This work studies the effects of trehalose on model membrane systems as they undergo a melting transition using a combination of experimental methods and atomistic molecular simulations. Quasielastic neutron scattering experiments on selectively deuterated samples provide the incoherent dynamic structure over a wide time range. Elastic scans probing the lipid tail dynamics display clear evidence of a main melting transition that is significantly lowered in the presence of trehalose. Lipid headgroup mobility is considerably restricted at high temperatures and directly associated with the dynamics of the sugar in the mixture. Molecular simulations provide a detailed overview of the dynamics and their spatial and time dependence. The combined simulation and experimental methodology offers a unique, molecular view of the physics of systems commonly employed in cryopreservation and lyophilization processes.

  14. Dynamics in poly vinyl alcohol (PVA) based hydrogel: Neutron scattering study

    SciTech Connect

    Prabhudesai, S. A. Mitra, S.; Mukhopadhyay, R.; Lawrence, Mathias B.; Desa, J. A. E.

    2015-06-24

    Results of quasielastic neutron scattering measurements carried out on Poly Vinyl Alcohol (PVA) based hydrogels are reported here. PVA hydrogels are formed using Borax as a cross-linking agent in D{sub 2}O solvent. This synthetic polymer can be used for obtaining the hydrogels with potential use in the field of biomaterials. The aim of this paper is to study the dynamics of polymer chain in the hydrogel since it is known that polymer mobility influences the kinetics of loading and release of drugs. It is found that the dynamics of hydrogen atoms in the polymer chain could be described by a model where the diffusion of hydrogen atoms is limited within a spherical volume of radius 3.3 Å. Average diffusivity estimated from the behavior of quasielastic width is found to be 1.2 × 10{sup −5} cm{sup 2}/sec.

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

    PubMed

    Carmichael, J R; Diallo, S O

    2013-01-01

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

  16. Micelle structural studies on oil solubilization by a small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Putra, Edy Giri Rachman; Seong, Baek Seok; Ikram, Abarrul

    2009-02-01

    A small-angle neutron scattering (SANS) technique was applied to reveal the micelle structural changes. The micelle structural changes of 0.3 M sodium dodecyl sulfate (SDS) concentration by addition of various oil, i.e. n-hexane, n-octane, and n-decane up to 60% (v/v) have been investigated. It was found that the size, aggregation number and the structures of the micelles changed exhibiting that the effective charge on the micelle decreases with an addition of oil. There was a small increase in minor axis of micelle while the correlation peak shifted to a lower momentum transfer Q and then to higher Q by a further oil addition.

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

    NASA Astrophysics Data System (ADS)

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

    2011-08-01

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

  18. Spin echo small angle neutron scattering using a continuously pumped {sup 3}He neutron polarisation analyser

    SciTech Connect

    Parnell, S. R.; Li, K.; Yan, H.; Stonaha, P.; Li, F.; Wang, T.; Baxter, D. V.; Snow, W. M.; Washington, A. L.; Walsh, A.; Chen, W. C.; Parnell, A. J.; Fairclough, J. P. A.; Pynn, R.

    2015-02-15

    We present a new instrument for spin echo small angle neutron scattering (SESANS) developed at the Low Energy Neutron Source at Indiana University. A description of the various instrument components is given along with the performance of these components. At the heart of the instrument are a series of resistive coils to encode the neutron trajectory into the neutron polarisation. These are shown to work well over a broad range of neutron wavelengths. Neutron polarisation analysis is accomplished using a continuously operating neutron spin filter polarised by Rb spin-exchange optical pumping of {sup 3}He. We describe the performance of the analyser along with a study of the {sup 3}He polarisation stability and its implications for SESANS measurements. Scattering from silica Stöber particles is investigated and agrees with samples run on similar instruments.

  19. Micromagnetic modeling and small-angle neutron scattering characterization of magnetic nanocomposites

    NASA Astrophysics Data System (ADS)

    Erokhin, Sergey; Berkov, Dmitry; Gorn, Nataliya; Michels, Andreas

    2012-01-01

    A new methodology for micromagnetic simulations of magnetic nanocomposites is presented. The methodology is especially suitable for simulations of two-phase composites consisting of magnetically hard inclusions in a soft magnetic matrix phase. The proposed technique allows us to avoid unnecessary discretization of the “hard” inclusions (these are normally in a single-domain state) but enables arbitrary fine discretization of the “soft” phase. The method is applied to the determination of the equilibrium magnetization state of an iron-based nanocomposite from the Nanoperm (FeZrBCu) family of alloys and to the calculation of the corresponding small-angle neutron scattering (SANS) cross-section. The results of our simulations exhibit a remarkable agreement with nontrivial “clover-leaf” SANS cross-sections observed experimentally.

  20. IB: A Monte Carlo simulation tool for neutron scattering instrument design under PVM and MPI

    NASA Astrophysics Data System (ADS)

    Zhao, Jinkui

    2011-12-01

    Design of modern neutron scattering instruments relies heavily on Monte Carlo simulation tools for optimization. IB is one such tool written in C++ and implemented under Parallel Virtual Machine and the Message Passing Interface. The program was initially written for the design and optimization of the EQ-SANS instrument at the Spallation Neutron Source. One of its features is the ability to group simple instrument components into more complex ones at the user input level, e.g. grouping neutron mirrors into neutron guides and curved benders. The simulation engine manages the grouped components such that neutrons entering a group are properly operated upon by all components, multiple times if needed, before exiting the group. Thus, only a few basic optical modules are needed at the programming level. For simulations that require higher computer speeds, the program can be compiled and run in parallel modes using either the PVM or the MPI architectures.

  1. Membrane Adhesion via Homophilic Saccharide-Saccharide Interactions Investigated by Neutron Scattering

    PubMed Central

    Schneck, Emanuel; Demé, Bruno; Gege, Christian; Tanaka, Motomu

    2011-01-01

    Solid-supported membrane multilayers doped with membrane-anchored oligosaccharides bearing the LewisX motif (LeX lipid) were utilized as a model system of membrane adhesion mediated via homophilic carbohydrate-carbohydrate interactions. Specular and off-specular neutron scattering in bulk aqueous electrolytes allowed us to study multilayer structure and membrane mechanics at full hydration at various Ca2+ concentrations, indicating that membrane-anchored LeX cross-links the adjacent membranes. To estimate forces and energies required for cross-linking, we theoretically modeled the interactions between phospholipid membranes and compared this model with our experimental results on membranes doped with LeX lipids. We demonstrated that the bending rigidity, extracted from the off-specular scattering signals, is not significantly influenced by the molar fraction of LeX lipids, while the vertical compression modulus (and thus the intermembrane confinement) increases with the molar fraction of LeX lipids. PMID:21539782

  2. A microstructural comparison of two nuclear-grade martensitic steels using small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Coppola, R.; Fiori, F.; Little, E. A.; Magnani, M.

    1997-06-01

    Results are presented of a small-angle neutron scattering (SANS) study on two 10-13% Cr martensitic stainless steels of interest for nuclear applications, viz. DIN 1.4914 (MANET specification, for fusion reactors) and AISI 410. The investigation has focussed principally on microstructural effects associated with the differences in chromium content between the two alloys. The size distribution functions determined from nuclear and magnetic SANS components for the two steels given identical heat treatments are in accord with an interpretation based on the presence of ˜ 1 nm size CCr aggregates in the microstructure. Much larger (˜ 10 nm) scattering inhomogeneities with different magnetic contrast are also present and tentatively identified as carbides.

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

    SciTech Connect

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

    1991-01-01

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

  4. Proton Diffusivity in the Protic Ionic Liquid Triethylammonium Triflate Probed by Quasielastic Neutron Scattering.

    PubMed

    Burankova, Tatsiana; Hempelmann, Rolf; Fossog, Verlaine; Ollivier, Jacques; Seydel, Tilo; Embs, Jan P

    2015-08-20

    Quasielastic neutron scattering (QENS) in combination with deuterium labeling allows for studying protonated "highlighted" species and extracting detailed information about tangled stochastic processes. This approach has been applied to examine proton dynamics in the protic ionic liquid, triethylammonium triflate. The temperature range covered during the experiments (2-440 K) included two melting transitions correspondingly reflected in the global and localized dynamics of the cation. To focus on the dynamics of the acidic proton, QENS spectra of the sample with the deuterated alkyl side chains were analyzed. The remaining hydrogen atom served as a tagged particle for investigating both global long-range motion of the cation and specific dynamics of the proton and, thus, provided insight into the transport properties of triethylammonium triflate, which is important for designing electrochemical devices. PMID:26207379

  5. Quantitative Analysis of Cementite Spheroidization in Pearlite by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Su, Yuhua; Morooka, Satoshi; Ohnuma, Masato; Suzuki, Junichi; Tomota, Yo

    2015-04-01

    Small-angle neutron scattering (SANS) was used to investigate the spheroidization of cementite in pearlite upon annealing. Globally averaged information on the shape and size of cementite particles was collected by using the SANS profile analysis of 0.8 mass pct C pearlitic steel (0.8C) samples annealed at 973 K (700 °C) for 3.6 to 86.4 ks. The change in the total area of the ferrite-cementite interface or aspect ratio determined by ex situ SANS exhibits excellent correspondence with scanning electron microscopy observations. Then, in situ SANS data were collected during isothermal annealing of the 0.8C steel and the commercially available 0.45C carbon steel (JIS-S45C). The shape change of the cementite plate was monitored, and the spheroidization rate of the 0.8C steel was found to be faster than that of the 0.45C steel.

  6. Coupled-channel analysis of neutron scattering from /sup 12/C between 9 and 15 MeV

    SciTech Connect

    Hansen, L.F.; Meigooni, A.S.

    1986-07-01

    A deformed and energy dependent phenomenological optical model potential and coupled-channel formalism for deformed nuclei have been used in the analysis of elastic and inelastic (Q = 4.439 MeV) scattering, and analyzing power for neutrons scattered from /sup 12/C in the energy range of 9 to 15 MeV. 6 refs., 1 fig., 1 tab.

  7. A United Effort for Crystal Growth, Neutron Scattering, and X-ray Scattering Studies of Novel Correlated Electron Materials

    SciTech Connect

    Lee, Young S.

    2015-02-12

    The research accomplishments during the award involved experimental studies of correlated electron systems and quantum magnetism. The techniques of crystal growth, neutron scattering, x-ray scattering, and thermodynamic & transport measurements were employed, and graduate students and postdoctoral research associates were trained in these techniques.

  8. Reply to ``Comment on `Spectroscopic factors for bound s-wave states derived from neutron scattering lengths' ''

    NASA Astrophysics Data System (ADS)

    Mohr, P.; Herndl, H.; Oberhummer, H.; Staudt, G.

    1997-12-01

    In a recent comment Barker [Phys. Rev. C 56, 3423 (1997), the preceding paper] criticized our procedure for the extraction of spectroscopic factors from neutron scattering lengths [Phys. Rev. C 55, 1591 (1997)]. In this reply we compare the R-matrix analysis by Barker to our potential model calculation, and we discuss the applicability of both models for the extraction of spectroscopic factors.

  9. Current Status and Future Works of Neutron Scattering Laboratory at BATAN in Serpong

    SciTech Connect

    Ikram, A.

    2008-03-17

    Current status of neutron beam instruments using neutrons produced by the Multi Purpose Research Reactor--30MWth (MPR 30, RSG GA Siwabessy) located in Serpong is presented. Description of the reactor as the neutron source is mentioned briefly. There are six neutron beam tubes coming from the beryllium reflector surrounding half of the reactor core providing neutrons in the experimental hall of the reactor (XHR). Four of them are dedicated to R and D in materials science using neutron scattering techniques. Neutron Radiography Facility (NRF), Triple Axis Spectrometer (TAS) and Residual Stress Measurement (RSM) Diffractometer are installed respectively at beam tubes S2, S4 and S6. The largest neutron beam tube (S5) is exploited to accommodate two neutron guide tubes that transfer the neutrons to a neighbouring building called neutron guide hall (NGH). There are three other neutron beam instruments installed in this building, namely Small Angle Neutron Scattering (SANS) Spectrometer (SMARTer), High Resolution SANS (HRSANS) Spectrometer and High Resolution Powder Diffractometer (HRPD). In the XHR, a Four Circle and Texture Diffractometer (FCD/TD) is attached to one of the neutron guide tubes. These seven instruments were installed to utilize the neutrons for materials science research, and recently the RSM diffractometer has shown its capabilities in identifying different amount of stress left due to different treatments of welding in fuel cladding, while the SANS spectrometer is now gaining capabilities in identifying different sizes and shapes of macromolecules in polymers as well as investigations of magnetic samples. In the mean time, non-destructive tests using the NRF is gathering more confidence from some latest real time measurements eventhough there are still some shortcomings in the components and their alignments. Future works including improvement of each facility and its components, even replacement of some parts are necessary and have to be carried out

  10. Characterization of polymer adsorption onto drug nanoparticles using depletion measurements and small-angle neutron scattering.

    PubMed

    Goodwin, Daniel J; Sepassi, Shadi; King, Stephen M; Holland, Simon J; Martini, Luigi G; Lawrence, M Jayne

    2013-11-01

    Production of polymer and/or surfactant-coated crystalline nanoparticles of water-insoluble drugs (nanosuspensions) using wet bead milling is an important formulation approach to improve the bioavailability of said compounds. Despite the fact that there are a number of nanosuspensions on the market, there is still a deficiency in the characterization of these nanoparticles where further understanding may lead to the rational selection of polymer/surfactant. To this end small-angle neutron scattering (SANS) measurements were performed on drug nanoparticles milled in the presence of a range of polymers of varying molecular weight. Isotopic substitution of the aqueous solvent to match the scattering length density of the drug nanoparticles (i.e., the technique of contrast matching) meant that neutron scattering resulted only from the adsorbed polymer layer. The layer thickness and amount of hydroxypropylcellulose adsorbed on nabumetone nanoparticles derived from fitting the SANS data to both model-independent and model dependent volume fraction profiles were insensitive to polymer molecular weight over the range Mv = 47-112 kg/mol, indicating that the adsorbed layer is relatively flat but with tails extending up to approximately 23 nm. The constancy of the absorbed amount is in agreement with the adsorption isotherm determined by measuring polymer depletion from solution in the presence of the nanoparticles. Insensitivity to polymer molecular weight was similarly determined using SANS measurements of nabumetone or halofantrine nanoparticles stabilized with hydroxypropylmethylcellulose or poly(vinylpyrrolidone). Additionally SANS studies revealed the amount adsorbed, and the thickness of the polymer layer was dependent on both the nature of the polymer and drug particle surface. The insensitivity of the adsorbed polymer layer to polymer molecular weight has important implications for the production of nanoparticles, suggesting that lower molecular weight polymers

  11. Dynamics of supercooled water in highly compacted clays studied by neutron scattering

    NASA Astrophysics Data System (ADS)

    González Sánchez, Fátima; Jurányi, Fanni; Gimmi, Thomas; Van Loon, Luc; Seydel, Tilo; Unruh, Tobias

    2008-10-01

    The freezing behavior of water confined in compacted charged and uncharged clays (montmorillonite in Na- and Ca-forms, illite in Na- and Ca-forms, kaolinite and pyrophyllite) was investigated by neutron scattering. Firstly, the amount of frozen (immobile) water was measured as a function of temperature at the IN16 backscattering spectrometer, Institute Laue-Langevin (ILL). Water in uncharged, partly hydrophobic (kaolinite) and fully hydrophobic (pyrophyllite) clays exhibited a similar freezing and melting behavior to that of bulk water. In contrast, water in charged clays which are hydrophilic could be significantly supercooled. To observe the water dynamics in these clays, further experiments were performed using quasielastic neutron scattering. At temperatures of 250, 260 and 270 K the diffusive motion of water could still be observed, but with a strong reduction in the water mobility as compared with the values obtained above 273 K. The diffusion coefficients followed a non-Arrhenius temperature dependence well described by the Vogel-Fulcher-Tammann and the fractional power relations. The fits revealed that Na- and Ca-montmorillonite and Ca-illite have similar Vogel-Fulcher-Tammann temperatures (TVFT, often referred to as the glass transition temperature) of ~120 K and similar temperatures at which the water undergoes the 'strong-fragile' transition, Ts~210 K. On the other hand, Na-illite had significantly larger values of TVFT~180 K and Ts~240 K. Surprisingly, Ca-illite has a similar freezing behavior of water to that of montmorillonites, even though it has a rather different structure. We attribute this to the stronger hydration of Ca ions as compared with the Na ions occurring in the illite clays.

  12. Direct comparison of elastic incoherent neutron scattering experiments with molecular dynamics simulations of DMPC phase transitions.

    PubMed

    Aoun, Bachir; Pellegrini, Eric; Trapp, Marcus; Natali, Francesca; Cantù, Laura; Brocca, Paola; Gerelli, Yuri; Demé, Bruno; Marek Koza, Michael; Johnson, Mark; Peters, Judith

    2016-04-01

    Neutron scattering techniques have been employed to investigate 1,2-dimyristoyl-sn -glycero-3-phosphocholine (DMPC) membranes in the form of multilamellar vesicles (MLVs) and deposited, stacked multilamellar-bilayers (MLBs), covering transitions from the gel to the liquid phase. Neutron diffraction was used to characterise the samples in terms of transition temperatures, whereas elastic incoherent neutron scattering (EINS) demonstrates that the dynamics on the sub-macromolecular length-scale and pico- to nano-second time-scale are correlated with the structural transitions through a discontinuity in the observed elastic intensities and the derived mean square displacements. Molecular dynamics simulations have been performed in parallel focussing on the length-, time- and temperature-scales of the neutron experiments. They correctly reproduce the structural features of the main gel-liquid phase transition. Particular emphasis is placed on the dynamical amplitudes derived from experiment and simulations. Two methods are used to analyse the experimental data and mean square displacements. They agree within a factor of 2 irrespective of the probed time-scale, i.e. the instrument utilized. Mean square displacements computed from simulations show a comparable level of agreement with the experimental values, albeit, the best match with the two methods varies for the two instruments. Consequently, experiments and simulations together give a consistent picture of the structural and dynamical aspects of the main lipid transition and provide a basis for future, theoretical modelling of dynamics and phase behaviour in membranes. The need for more detailed analytical models is pointed out by the remaining variation of the dynamical amplitudes derived in two different ways from experiments on the one hand and simulations on the other. PMID:27112937

  13. X-ray and Neutron Scattering Study of the Formation of Core–Shell-Type Polyoxometalates

    DOE PAGESBeta

    Yin, Panchao; Wu, Bin; Mamontov, Eugene; Daemen, Luke L.; Cheng, Yongqiang; Li, Tao; Seifert, Soenke; Hong, Kunlun; Bonnesen, Peter V.; Keum, Jong Kahk; et al

    2016-02-05

    A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo72Fe30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Time-resolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types of water molecules,more » the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures. A typical type of core shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo72Fe30}. Small-angle X-ray scattering is used to study the structural features and stability of the core shell structures in aqueous solutions. Time-resolved small-angle X-ray scattering is applied to monitor the synthetic reactions, and a three-stage formation mechanism is proposed to describe the synthesis of the core shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with custom physical models, which provide more convincing, objective, and completed data interpretation. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core shell structures, and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.« less

  14. Structural and Magnetic Phase Transitions in Minerals: In Situ Studies by Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Redfern, Simon A. T.; Harrison, Richard J.

    The application of neutron scattering to the study of structural and magnetic phase transitions in minerals is discussed. The advantages of neutrons for structural characterization of phase transitions are enumerated and compared with the data that might be obtained from X-ray methods. Elements that are difficult to distinguish by X-ray diffraction can show huge contrasts in neutron diffraction experiments; this contrast has been exploited in studies of site occupancies and intra-mineral partitioning of elements difficult to distinguish by other methods, such as Mg-Al and Fe-Mn pairs. Selected examples of the use of these methods in recent studies are outlined. These include the study of cation order-disorder phase transitions in minerals, ranging in complexity from rather simple silicate structures such as olivine and spinel (where ordering may occur between two sites) to more complex double-chain silicates (where partitioning studies by neutron diffraction have identified the trends over as many as four different crystallographic sites). The ability to build complex sample environments around the minerals under study has been beneficial in cases where extreme high temperatures (as great as 2000 K) are of interest, or where buffering of oxidation states is required. The magnetic moment of the neutron provides a unique tool for the study of the magnetic structures of oxide minerals, and the identification of magnetic ordering schemes in minerals such as magnetite were some of the first examples of the application of this method to magnetic minerals. The principles of magnetic scattering of neutrons are briefly outlined; and applications of magnetic studies by powder diffraction using both unpolarized and polarized neutrons are discussed, including recent studies of nanoscale hematite exsolution in ilmenite by polarized neutron scattering. Finally, the extension of the entire family of such studies in mineralogy to conditions pertinent to deep planetary interiors is

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

    SciTech Connect

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

    2011-01-01

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

  16. Small-angle neutron scattering study of micropore collapse in amorphous solid water.

    PubMed

    Mitterdorfer, Christian; Bauer, Marion; Youngs, Tristan G A; Bowron, Daniel T; Hill, Catherine R; Fraser, Helen J; Finney, John L; Loerting, Thomas

    2014-08-14

    Vapor-deposited amorphous solid water (ASW) is the most abundant solid molecular material in space, where it plays a direct role in both the formation of more complex chemical species and the aggregation of icy materials in the earliest stages of planet formation. Nevertheless, some of its low temperature physics such as the collapse of the micropore network upon heating are still far from being understood. Here we characterize the nature of the micropores and their collapse using neutron scattering of gram-quantities of D2O-ASW of internal surface areas up to 230 ± 10 m(2) g(-1) prepared at 77 K. The model-free interpretation of the small-angle scattering data suggests micropores, which remain stable up to 120-140 K and then experience a sudden collapse. The exact onset temperature to pore collapse depends on the type of flow conditions employed in the preparation of ASW and, thus, the specific surface area of the initial deposit, whereas the onset of crystallization to cubic ice is unaffected by the flow conditions. Analysis of the small-angle neutron scattering signal using the Guinier-Porod model suggests that a sudden transition from three-dimensional cylindrical pores with 15 Å radius of gyration to two-dimensional lamellae is the mechanism underlying the pore collapse. The rather high temperature of about 120-140 K of micropore collapse and the 3D-to-2D type of the transition unraveled in this study have implications for our understanding of the processing and evolution of ices in various astrophysical environments. PMID:24963740

  17. The radius of gyration of native and reductively methylated myosin subfragment-1 from neutron scattering.

    PubMed Central

    Stone, D B; Schneider, D K; Huang, Z; Mendelson, R A

    1995-01-01

    Reductive methylation of nearly all lysine groups of myosin subfragment-1 (S1) was required for crystallization and solution of its structure at atomic resolution. Possible effects of such methylation on the radius of gyration of chicken skeletal muscle myosin S1 have been investigated by using small-angle neutron scattering. In addition, we have investigated the effect of MgADP.Vi, which is thought to produce an analog of the S1.ADP.Pi state, on the S1 radius of gyration. We find that although methylation of S1, with or without SO42- ion addition, does not significantly alter the structure, addition of ADP plus vanadate does decrease the radius of gyration significantly. The S1 crystal structure predicts a radius of gyration close to that measured here by neutron scattering. These results suggest that the overall shape by crystallography resembles nucleotide-free S1 in solution. In order to estimate the effect of residues missing from the crystal structure, the structure of missing loops was estimated by secondary-structure prediction methods. Calculations using the complete crystal structure show that a simple closure of the nucleotide cleft by a rigid-body torsional rotation of residues (172-180 to 670) around an axis running along the base of the cleft alone does not produce changes as large as seen here and in x-ray scattering results. On the other hand, a rigid body rotation of either the light-chain binding domain (767 to 843 plus light chains) or of a portion of 20-kDa peptide plus this domain (706 to 843 plus light chains) is more readily capable of producing such changes. Images FIGURE 1 FIGURE 3 FIGURE 6 PMID:8519977

  18. Current Status and Future Works of Neutron Scattering Laboratory at BATAN in Serpong

    NASA Astrophysics Data System (ADS)

    Ikram, A.

    2008-03-01

    Current status of neutron beam instruments using neutrons produced by the Multi Purpose Research Reactor—30MWth (MPR 30, RSG GA Siwabessy) located in Serpong is presented. Description of the reactor as the neutron source is mentioned briefly. There are six neutron beam tubes coming from the beryllium reflector surrounding half of the reactor core providing neutrons in the experimental hall of the reactor (XHR). Four of them are dedicated to R&D in materials science using neutron scattering techniques. Neutron Radiography Facility (NRF), Triple Axis Spectrometer (TAS) and Residual Stress Measurement (RSM) Diffractometer are installed respectively at beam tubes S2, S4 and S6. The largest neutron beam tube (S5) is exploited to accommodate two neutron guide tubes that transfer the neutrons to a neighbouring building called neutron guide hall (NGH). There are three other neutron beam instruments installed in this building, namely Small Angle Neutron Scattering (SANS) Spectrometer (SMARTer), High Resolution SANS (HRSANS) Spectrometer and High Resolution Powder Diffractometer (HRPD). In the XHR, a Four Circle and Texture Diffractometer (FCD/TD) is attached to one of the neutron guide tubes. These seven instruments were installed to utilize the neutrons for materials science research, and recently the RSM diffractometer has shown its capabilities in identifying different amount of stress left due to different treatments of welding in fuel cladding, while the SANS spectrometer is now gaining capabilities in identifying different sizes and shapes of macromolecules in polymers as well as investigations of magnetic samples. In the mean time, non-destructive tests using the NRF is gathering more confidence from some latest real time measurements eventhough there are still some shortcomings in the components and their alignments. Future works including improvement of each facility and its components, even replacement of some parts are necessary and have to be carried out

  19. Neutron Scattering Cross Sections for Natural Carbon in the Energy Range 2-133 keV

    SciTech Connect

    Gritzay, O; Gnidak, M; Kolotyi, V; Korol, O; Razbudey, V; Venedyktov, V; Richardson, J H; Sale, K

    2006-06-14

    Natural carbon is well known as reactor structure material and at the same time as one of the most important neutron scattering standards, especially at energies less than 2 MeV, where the neutron total and neutron scattering cross sections are essentially identical. The best neutron total cross section experimental data for natural carbon in the range 1-500 keV have uncertainties of 1-4%. However, the difference between these data and those based on R-matrix analysis and used in the ENDF libraries is evident, especially in the energy range 1-60 keV. Experimental data for total scattering neutron cross sections for this element in the energy range 1-200 keV are scanty. The use of the technique of neutron filtered beams developed at the Kyiv Research Reactor makes it possible to reduce the uncertainty of the experimental data and to measure the neutron scattering cross sections on natural carbon in the energy range 2-149 keV with accuracies of 3-6%. Investigations of the neutron scattering cross section on carbon were carried out using 5 filters with energies 2, 3.5, 24, 54 and 133 keV. The neutron scattering cross sections were measured using a detector system covering nearly 2{pi}. The detector consisting of {sup 3}He counters (58 units), was located just above the carbon samples. The {sup 3}He counters (CHM-37, 7 atm, diameter =18 mm, L=50 cm) are placed in five layers (12 or 11 in each layer). To determine the neutron scattering cross section on carbon the relative method of measurement was used. The isotope {sup 208}Pb was used as the standard. The normalization factor, which is a function of detector efficiency, thickness of the carbon samples, thickness of the {sup 208}Pb sample, geometry, etc., for each sample and for each filter energy has been obtained through Monte Carlo calculations by means of the MCNP4C code. The results of measurements of the neutron scattering cross sections at reactor neutron filtered beams with energies in the range 2-133 keV on

  20. Accelerator-based neutrino oscillation experiments

    SciTech Connect

    Harris, Deborah A.; /Fermilab

    2007-12-01

    Neutrino oscillations were first discovered by experiments looking at neutrinos coming from extra-terrestrial sources, namely the sun and the atmosphere, but we will be depending on earth-based sources to take many of the next steps in this field. This article describes what has been learned so far from accelerator-based neutrino oscillation experiments, and then describe very generally what the next accelerator-based steps are. In section 2 the article discusses how one uses an accelerator to make a neutrino beam, in particular, one made from decays in flight of charged pions. There are several different neutrino detection methods currently in use, or under development. In section 3 these are presented, with a description of the general concept, an example of such a detector, and then a brief discussion of the outstanding issues associated with this detection technique. Finally, section 4 describes how the measurements of oscillation probabilities are made. This includes a description of the near detector technique and how it can be used to make the most precise measurements of neutrino oscillations.

  1. PREFACE: 7th Meeting of the Spanish Neutron Scattering Association (SETN)

    NASA Astrophysics Data System (ADS)

    Pérez-Landazábal, J. I.; Recarte, V.

    2015-11-01

    The VII th Meeting of the Spanish Neutron Scattering Association was held on the campus of the Public University of Navarra (UPNa) in Pamplona (Spain) during 22-25 June 2014. It was the seventh edition of a series of biennial meetings that began in San Sebastian in 2002, which followed the meetings of Puerto de La Cruz (2004), Jaca (2006), Sant Feliu de Guixols (2008), Gijón (2010) and Segovia (2012). It is the largest meeting and discussion forum for Spanish scientific users of neutron scattering techniques, whatever the branch of science or technology development their research activity concerns. Throughout these years, the Spanish community of neutron techniques has been consolidating, increasing every year both in the number of users and in the diversity of techniques and topics analyzed. In this sense, the series of biennial meetings of the Society aims to give visibility and summarize the activity taking place in this field. Ongoing with the initiative undertaken in the last two editions, some selected works shown in the conference are published in this edition of Journal of Physics: Conference Series. The conference consisted of plenary lectures issued by relevant researchers in neutron science techniques, as well as invited lectures in which the most significant recent results achieved by Spanish scientists from fundamental science to applied technology were shown. To encourage the participation of as many research groups as possible and in particular young researchers, oral and poster presentations were also included. The VII th SETN meeting was organized by the Physics Department of the Public University of Navarra in collaboration with the Spanish Society for Neutron Techniques (SETN, Sociedad Española de Técnicas Neutrónicas). The meeting attracted around 70 participants from all over the country and foreign researchers were also invited to the conference. We want to emphasize the excellent quality of the presentations and want to thank the support

  2. Spin waves in full-polarized state of Dzyaloshinskii-Moriya helimagnets: Small-angle neutron scattering study

    NASA Astrophysics Data System (ADS)

    Grigoriev, S. V.; Sukhanov, A. S.; Altynbaev, E. V.; Siegfried, S.-A.; Heinemann, A.; Kizhe, P.; Maleyev, S. V.

    2015-12-01

    We develop the technique to study the spin-wave dynamics of the full-polarized state of the Dzyaloshinskii-Moriya helimagnets by polarized small-angle neutron scattering. We have experimentally proven that the spin-waves dispersion in this state has the anisotropic form. We show that the neutron scattering image displays a circle with a certain radius which is centered at the momentum transfer corresponding to the helix wave vector in helimagnetic phase ks, which is oriented along the applied magnetic field H . The radius of this circle is directly related to the spin-wave stiffness of this system. This scattering depends on the neutron polarization showing the one-handed nature of the spin waves in Dzyaloshinskii-Moriya helimagnets in the full-polarized phase. We show that the spin-wave stiffness A for MnSi helimagnet decreased twice as the temperature increases from zero to the critical temperature Tc.

  3. Neutron scattering and monte carlo determination of the variation of the critical nucleus size with quench depth.

    PubMed

    Pan, Albert C; Rappl, Timothy J; Chandler, David; Balsara, Nitash P

    2006-03-01

    We have used a combination of neutron scattering experiments and Monte Carlo simulations to study the initial stages of first-order phase transitions. We focus on quenches wherein the nascent phase is formed by homogeneous nucleation, and we approach the spinodal, i.e., the quench depth at which the original phase becomes unstable. In this regime, we show how critical nuclei sizes are determined from neutron scattering structure factors. Prevailing thought is that the size of the critical nucleus should increase with increasing quench depth and diverge at the spinodal. To the contrary, our experiments and simulations indicate that the critical nucleus size decreases monotonically as quench depth is increased and is finite at the spinodal. PMID:16494425

  4. Theoretical studies on the structure of interacting colloidal suspensions by spin-echo small angle neutron scattering.

    PubMed

    Li, Xin; Shew, Chwen-Yang; Liu, Yun; Pynn, Roger; Liu, Emily; Herwig, Kenneth W; Smith, Gregory S; Robertson, J Lee; Chen, Wei-Ren

    2010-05-01

    The application of the spin-echo small angle neutron scattering (SESANS) technique for structural characterization of interacting colloidal suspensions is considered in this work. The framework to calculate the theoretical SESANS correlation function is briefly laid out. A general discussion regarding the features of the SESANS correlation functions obtained from different model systems is presented. In comparison with conventional elastic scattering tools operating at the same length scale, our mean-field calculations, based on a monodisperse spherical colloidal system, show that the real-space measurement provided by SESANS presents a powerful probe for studying the intercolloid potential. The reason of this sensitivity is discussed from the standpoint of way, in which how the spatial correlations are manifested in different neutron scattering implementations. This study leads to a better understanding regarding the distinction between SANS and SESANS. PMID:20459176

  5. Cavitation on deterministically nanostructured surfaces in contact with an aqueous phase: a small-angle neutron scattering study.

    PubMed

    Melnichenko, Yuri B; Lavrik, N V; Popov, E; Bahadur, J; He, L; Kravchenko, I I; Smith, G; Pipich, V; Szekely, N K

    2014-08-26

    The structure of deterministically nanopatterned surfaces created using a combination of electron beam lithography and reactive ion etching was evaluated using small-angle neutron scattering (SANS). Samples exhibit 2D neutron scattering patterns that confirm the presence of ordered nanoscale cavities consistent with the targeted morphologies as well as with SEM data analysis. Comparison of SANS intensities obtained from samples in air and in contact with an aqueous phase (pure deuterium oxide, D2O, or a contrast matched mixture of D2O + H2O) reveals formation of stable gaseous nanobubbles trapped inside the cavities. The relative volume of nanobubbles depends strongly on the hydrophobicity of the cavity walls. In the case of hydrophobic surfaces, nanobubbles occupy up to 87% of the total cavity volume. The results demonstrate the high degree of sensitivity of SANS measurements for detecting and characterizing nano- and mesoscale bubbles with the volume fraction as low as ∼10(-6). PMID:25084807

  6. Excess wing in glass-forming glycerol and LiCl-glycerol mixtures detected by neutron scattering

    DOE PAGESBeta

    Gupta, S.; Arend, N.; Lunkenheimer, P.; Loidl, A.; Stingaciu, L.; Jalarvo, N.; Mamontov, E.; Ohl, M.

    2015-01-22

    The relaxational dynamics in glass-forming glycerol and glycerol mixed with LiCl is investigated using different neutron scattering techniques. The performed neutron spin echo experiments, which extend up to relatively long relaxation time scales of the order of 10 ns, should allow for the detection of contributions from the so-called excess wing. This phenomenon, whose microscopic origin is controversially discussed, arises in a variety of glass formers and, until now, was almost exclusively investigated by dielectric spectroscopy and light scattering. In conclusion, we show here that the relaxational process causing the excess wing can also be detected by neutron scattering, whichmore » directly couples to density fluctuations.« less

  7. Neutron scattering studies of 54,56Fe with monoenergetic neutrons

    NASA Astrophysics Data System (ADS)

    Hicks, S. F.; Combs, B. M.; Henderson, S. L.; Sidwell, L. C.; Vanhoy, J. R.; Garza, E.; Steves, J.; Chakraborty, A.; Crider, B. P.; Prados-Estevez, F. M.; Kumar, A.; McEllistrem, M. T.; Peters, E. E.; Ross, T. J.; Yates, S. W.

    2013-10-01

    Neutron scattering data for Fe are important for the development of next generation fission reactors, since Fe is an important structural material in all proposed reactor designs, as well as in existing reactors. How neutrons interact with Fe has an important impact on fuel performance during irradiations and the overall efficiency of fission reactors. While differential scattering cross sections have been previously measured at several incident neutron energies in the fast neutron region, questions remain regarding the uncertainties for existing cross sections and for neutron inelastic scattering. Elastic and inelastic differential scattering cross sections have been measured on 54,56Fe at the University of Kentucky Accelerator Laboratory in the fast neutron energy region between 1.7 and 4 MeV. Results from our measurements and comparisons to model calculations will be presented. This material is based on work supported by the Department of Energy under grant NEUP: NU-12-KY-UK-0201-05 and by the Cowan Physics Fund at the Univ. of Dallas.

  8. Neutron scattering study of the freezing of water near a cupric oxide surface

    NASA Astrophysics Data System (ADS)

    Torres, J.; Buck, Z. N.; Zhang, F. Z.; Chen, T.; Winholtz, R. A.; Kaiser, H.; Ma, H. B.; Taub, H.; Tyagi, M.

    Oscillating heat pipes (OHP) offer promising two-phase heat transfer for a variety of applications, including cooling of electronic devices.2 Recently, it has been shown that a hydrophilic CuO coating on either the evaporator or condenser sections of a flat-plate OHP can significantly enhance its thermal performance.3 This finding has motivated us to assess the strength of the CuO/H2O interaction by investigating the freezing behavior of H2O in proximity to a CuO surface. Using the High-Flux Backscattering Spectrometer at NIST, we have measured the intensity of neutrons scattered elastically from a well-hydrated sample of CuO-coated Cu foils that mimic the oxide surfaces in a flat-plate OHP. We observe abrupt freezing of bulk-like H2O above the CuO surface at 270 K followed by continuous freezing of the interfacial H2O down to 265 K. This freezing behavior is qualitatively similar to that found for water near a zwitterionic single-supported bilayer lipid membrane.3 Further studies are planned to compare the diffusion coefficients of the interfacial water for the coated and uncoated OHPs.22F.Z. Zhang et al., submitted to J. Heat Transfer. 3M. Bai et al., Europhys. Lett. 98, 48006 (2012); Miskowiec et al., Europhys. Lett. 107, 28008 (2014). Supported by NSF Grant Nos. DMR-0944772 and DGE-1069091.

  9. Controlling the Protein Dynamical Transition with Sugar-Based Bioprotectant Matrices: A Neutron Scattering Study

    PubMed Central

    Cornicchi, E.; Marconi, M.; Onori, G.; Paciaroni, A.

    2006-01-01

    Through elastic neutron scattering we measured the mean-square displacements of the hydrogen atoms of lysozyme embedded in a glucose-water glassy matrix as a function of the temperature and at various water contents. The elastic intensity of all the samples has been interpreted in terms of the double-well model in the whole temperature range. The dry sample shows an onset of anharmonicity at ∼100 K, which can be attributed to the activation of methyl group reorientations. Such a protein intrinsic dynamics is decoupled from the external environment on the whole investigated temperature range. In the hydrated samples an additional and larger anharmonic contribution is provided by the protein dynamical transition, which appears at a higher temperature Td. As hydration increases the coupling between the protein internal dynamics and the surrounding matrix relaxations becomes more effective. The behavior of Td that, as a function of the water content, diminishes by ∼60 K, supports the picture of the protein dynamics as driven by solvent relaxations. A possible connection between the protein dynamical response versus T and the thermal stability in glucose-water bioprotectant matrices is proposed. PMID:16617083

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

    PubMed

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

    2012-11-28

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

  11. Water Dynamics in Shewanella oneidensis at Ambient and High Pressure using Quasi-Elastic Neutron Scattering

    PubMed Central

    Foglia, Fabrizia; Hazael, Rachael; Simeoni, Giovanna G.; Appavou, Marie-Sousai; Moulin, Martine; Haertlein, Michael; Trevor Forsyth, V.; Seydel, Tilo; Daniel, Isabelle; Meersman, Filip; McMillan, Paul F.

    2016-01-01

    Quasielastic neutron scattering (QENS) is an ideal technique for studying water transport and relaxation dynamics at pico- to nanosecond timescales and at length scales relevant to cellular dimensions. Studies of high pressure dynamic effects in live organisms are needed to understand Earth’s deep biosphere and biotechnology applications. Here we applied QENS to study water transport in Shewanella oneidensis at ambient (0.1 MPa) and high (200 MPa) pressure using H/D isotopic contrast experiments for normal and perdeuterated bacteria and buffer solutions to distinguish intracellular and transmembrane processes. The results indicate that intracellular water dynamics are comparable with bulk diffusion rates in aqueous fluids at ambient conditions but a significant reduction occurs in high pressure mobility. We interpret this as due to enhanced interactions with macromolecules in the nanoconfined environment. Overall diffusion rates across the cell envelope also occur at similar rates but unexpected narrowing of the QENS signal appears between momentum transfer values Q = 0.7–1.1 Å−1 corresponding to real space dimensions of 6–9 Å. The relaxation time increase can be explained by correlated dynamics of molecules passing through Aquaporin water transport complexes located within the inner or outer membrane structures. PMID:26738409

  12. A Quasi-Elastic Neutron Scattering Study of the Dynamics of Electrically Constrained Water.

    PubMed

    Fuchs, Elmar C; Bitschnau, Brigitte; Wexler, Adam D; Woisetschläger, Jakob; Freund, Friedemann T

    2015-12-31

    We have measured the quasi-elastic neutron scattering (QENS) of an electrohydrodynamic liquid bridge formed between two beakers of pure water when a high voltage is applied, a setup allowing to investigate water under high-voltage without high currents. From this experiment two proton populations were distinguished: one consisting of protons strongly bound to oxygen atoms (immobile population, elastic component) and a second one of quasi-free protons (mobile population, inelastic component) both detected by QENS. The diffusion coefficient of the quasi-free protons was found to be D = (26 ± 10) × 10(-5) cm(2) s(-1) with a jump length lav ∼ 3 Å and an average residence time of τ0 = 0.55 ± 0.08 ps. The associated proton mobility in the proton channel of the bridge is ∼9.34 × 10(-7) m(2) V(-1) s(-1), twice as fast as diffusion-based proton mobility in bulk water. It also matches the so-called electrohydrodynamic or "apparent" charge mobility, an experimental quantity which so far has lacked molecular interpretation. These results further corroborate the proton channel model for liquid water under high voltage and give new insights into the molecular mechanisms behind electrohydrodynamic charge transport phenomena and delocalization of protons in liquid water. PMID:26643863

  13. Heat-induced structural transitions of alpha-crystallin studied by small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Krivandin, A. V.; Kuklin, A. I.; Muranov, K. O.; Murugova, T. N.; Kozlov, S. S.; Genkina, N. K.

    2012-03-01

    Alpha-crystallin from the bovine eye lens was studied by small-angle neutron scattering (SANS) in 90% D2O buffer solution at 20, 50, 60, 65, 75, 85 and 95°C. The temperature points for this study were specified on the basis of differential scanning calorimetric analysis of alpha-crystallin solutions which has shown two endothermic transitions with midpoints at 64.5 and 86°C. The SANS study revealed no significant alpha-crystallin quaternary structure alterations at 50°C as compared with 20°C. At 60-65°C the SANS data confirmed substantial alpha-crystallin quaternary structure rearrangements which resulted in the formation of alpha-crystallin oligomers with a similar shape but approximately twofold increased molecular weight as compared to the native state at 20°C. At higher temperatures (75, 85 and 95°C) the SANS patterns were very similar and were consistent with the scattering by rod-like particles with a cross-section radius of gyration ~55 This transformation of alpha-crystallin to the rod-like particles was evidently irreversible as these particles remained in solution after cooling to 20°C. Ab initio shape models of the native and high-temperature alpha-crystallin were retrieved with DAMMIN and DAMAVER software. Schematic model of alpha-crystallin heat-induced quaternary structure transitions was considered.

  14. Influence of gramicidin on the dynamics of DMPC studied by incoherent elastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Wanderlingh, U.; D'Angelo, G.; Conti Nibali, V.; Gonzalez, M.; Crupi, C.; Mondelli, C.

    2008-03-01

    By using the fixed energy window method in incoherent elastic neutron scattering, molecular motions in the 150 ps timescale in highly oriented multilayers of 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine (DMPC) membranes in excess of water (D2O) have been studied as a function of temperature, in the range from 27 to 325 K. The same system in partially deuterated form and with the addition of a pore-forming peptide (gramicidin) has also been investigated. By proper orientation of the membrane plane with respect to the scattering wavevector Q, information on in plane and out of plane motions of lipid membranes have been derived. Two relevant dynamical transitions were observed at T = 297 K and at T = 270 K. The former is related to the structural main transition from gel to liquid phase of the phospholipid bilayer, while the latter is related to a transition of the aqueous solvent. The inclusion of gramicidin shifts the main transition down to 294 K and the second transition up to 276 K. In both cases the observed dynamical transitions show an enhanced mobility in the direction normal to the membrane plane.

  15. Estimation and modeling of coal pore accessibility using small angle neutron scattering

    DOE PAGESBeta

    Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; Elsworth, Derek; Melnichenko, Yuri; He, Lilin; Wang, Yi

    2015-09-04

    Gas diffusion in coal is controlled by nano-structure of the pores. The interconnectivity of pores not only determines the dynamics of gas transport in the coal matrix but also influences the mechanical strength. In this study, small angle neutron scattering (SANS) was employed to quantify pore accessibility for two coal samples, one of sub-bituminous rank and the other of anthracite rank. Moreover, a theoretical pore accessibility model was proposed based on scattering intensities under both vacuum and zero average contrast (ZAC) conditions. Our results show that scattering intensity decreases with increasing gas pressure using deuterated methane (CD4) at low Qmore » values for both coals. Pores smaller than 40 nm in radius are less accessible for anthracite than sub-bituminous coal. On the contrary, when the pore radius is larger than 40 nm, the pore accessibility of anthracite becomes larger than that of sub-bituminous coal. Only 20% of pores are accessible to CD4 for anthracite and 37% for sub-bituminous coal, where the pore radius is 16 nm. For these two coals, pore accessibility and pore radius follows a power-law relationship.« less

  16. Estimation and modeling of coal pore accessibility using small angle neutron scattering

    SciTech Connect

    Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; Elsworth, Derek; Melnichenko, Yuri; He, Lilin; Wang, Yi

    2015-09-04

    Gas diffusion in coal is controlled by nano-structure of the pores. The interconnectivity of pores not only determines the dynamics of gas transport in the coal matrix but also influences the mechanical strength. In this study, small angle neutron scattering (SANS) was employed to quantify pore accessibility for two coal samples, one of sub-bituminous rank and the other of anthracite rank. Moreover, a theoretical pore accessibility model was proposed based on scattering intensities under both vacuum and zero average contrast (ZAC) conditions. Our results show that scattering intensity decreases with increasing gas pressure using deuterated methane (CD4) at low Q values for both coals. Pores smaller than 40 nm in radius are less accessible for anthracite than sub-bituminous coal. On the contrary, when the pore radius is larger than 40 nm, the pore accessibility of anthracite becomes larger than that of sub-bituminous coal. Only 20% of pores are accessible to CD4 for anthracite and 37% for sub-bituminous coal, where the pore radius is 16 nm. For these two coals, pore accessibility and pore radius follows a power-law relationship.

  17. Ensemble Activation of G-Protein -Coupled Receptors Revealed by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Chu, Xiang-Qiang; Perera, Suchithranga; Shrestha, Utsab; Chawla, Udeep; Struts, Andrey; Qian, Shuo; Brown, Michael

    2014-03-01

    Rhodopsin is a G-protein -coupled receptor (GPCR) involved in visual light perception and occurs naturally in a membrane lipid environment. Rhodopsin photoactivation yields cis-trans isomerization of retinal giving equilibrium between inactive Meta-I and active Meta-II states. Does photoactivation lead to a single Meta-II conformation, or do substates exist as described by an ensemble-activation mechanism (EAM)? We use small-angle neutron scattering (SANS) to investigate conformational changes in rhodopsin-detergent and rhodopsin-lipid complexes upon photoactivation. Meta-I state is stabilized in CHAPS-solubilized rhodopsin, while Meta-II is trapped in DDM-solubilized rhodopsin. SANS data are acquired from 80% D2O solutions and at contrast-matching points for both DDM and CHAPS samples. Our experiments demonstrate that for detergent-solubilized rhodopsin, SANS with contrast variation can detect structural differences between the rhodopsin dark-state, Meta-I, Meta-II, and ligand-free opsin states. Dark-state rhodopsin has more conformational flexibility in DDM micelles compared to CHAPS, which is consistent with an ensemble of activated Meta-II states. Furthermore, time-resolved SANS enables study of the time-dependent structural transitions between Meta-I and Meta-II, which is crucial to understanding the ensemble-based activation.

  18. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    SciTech Connect

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate to a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.

  19. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    DOE PAGESBeta

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate tomore » a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.« less

  20. Small-Angle Neutron Scattering by the Magnetic Microstructure of Nanocrystalline Ferromagnets Near Saturation

    PubMed Central

    Weissmüller, J.; McMichael, R. D.; Michels, A.; Shull, R. D.

    1999-01-01

    The paper presents a theoretical analysis of elastic magnetic small-angle neutron scattering (SANS) due to the nonuniform magnetic microstructure in nanocrystalline ferromagnets. The reaction of the magnetization to the magnetocrystalline and magnetoelastic anisotropy fields is derived using the theory of micromagnetics. In the limit where the scattering volume is a single magnetic domain, and the magnetization is nearly aligned with the direction of the magnetic field, closed form solutions are given for the differential scattering cross-section as a function of the scattering vector and of the magnetic field. These expressions involve an anisotropy field scattering function, that depends only on the Fourier components of the anisotropy field microstructure, not on the applied field, and a micromagnetic response function for SANS, that can be computed from tabulated values of the materials parameters saturation magnetization and exchange stiffness constant or spin wave stiffness constant. Based on these results, it is suggested that the anisotropy field scattering function SH can be extracted from experimental SANS data. A sum rule for SH suggests measurement of the volumetric mean square anisotropy field. When magnetocrystalline anisotropy is dominant, then a mean grain size or the grain size distribution may be determined by analysis of SH.

  1. Structural formation of huntingtin-like aggregates probed by small-angle neutron scattering

    SciTech Connect

    Stanley, Christopher B; Perevozchikova, Tatiana; Berthelier-Jung, Valerie M

    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.

  2. Direct measurement of hydrogen dislocation pipe diffusion in deformed polycrystalline Pd using quasielastic neutron scattering.

    PubMed

    Heuser, Brent J; Trinkle, Dallas R; Jalarvo, Niina; Serio, Joseph; Schiavone, Emily J; Mamontov, Eugene; Tyagi, Madhusudan

    2014-07-11

    The temperature-dependent diffusivity D(T) of hydrogen solute atoms trapped at dislocations-dislocation pipe diffusion of hydrogen-in deformed polycrystalline PdH(x) (x∼10(-3)  [H]/[Pd]) has been quantified with quasielastic neutron scattering between 150 and 400 K. We observe diffusion coefficients for trapped hydrogen elevated by one to two orders of magnitude above bulk diffusion. Arrhenius diffusion behavior has been observed for dislocation pipe diffusion and regular bulk diffusion, the latter in well-annealed polycrystalline Pd. For regular bulk diffusion of hydrogen in Pd we find D(T)=D(0)exp(-E(a)/kT)=0.005exp(-0.23  eV/kT)  cm(2)/s, in agreement with the known diffusivity of hydrogen in Pd. For hydrogen dislocation pipe diffusion we find D(T)≃10(-5)exp(-E(a)/kT)  cm(2)/s, where E(a)=0.042 and 0.083 eV for concentrations of 0.52×10(-3) and 1.13×10(-3)[H]/[Pd], respectively. Ab initio computations provide a physical basis for the pipe diffusion pathway and confirm the reduced barrier height. PMID:25062206

  3. Water Dynamics in Shewanella oneidensis at Ambient and High Pressure using Quasi-Elastic Neutron Scattering.

    PubMed

    Foglia, Fabrizia; Hazael, Rachael; Simeoni, Giovanna G; Appavou, Marie-Sousai; Moulin, Martine; Haertlein, Michael; Trevor Forsyth, V; Seydel, Tilo; Daniel, Isabelle; Meersman, Filip; McMillan, Paul F

    2016-01-01

    Quasielastic neutron scattering (QENS) is an ideal technique for studying water transport and relaxation dynamics at pico- to nanosecond timescales and at length scales relevant to cellular dimensions. Studies of high pressure dynamic effects in live organisms are needed to understand Earth's deep biosphere and biotechnology applications. Here we applied QENS to study water transport in Shewanella oneidensis at ambient (0.1 MPa) and high (200 MPa) pressure using H/D isotopic contrast experiments for normal and perdeuterated bacteria and buffer solutions to distinguish intracellular and transmembrane processes. The results indicate that intracellular water dynamics are comparable with bulk diffusion rates in aqueous fluids at ambient conditions but a significant reduction occurs in high pressure mobility. We interpret this as due to enhanced interactions with macromolecules in the nanoconfined environment. Overall diffusion rates across the cell envelope also occur at similar rates but unexpected narrowing of the QENS signal appears between momentum transfer values Q = 0.7-1.1 Å(-1) corresponding to real space dimensions of 6-9 Å. The relaxation time increase can be explained by correlated dynamics of molecules passing through Aquaporin water transport complexes located within the inner or outer membrane structures. PMID:26738409

  4. Linking CO2 Sorption Performance to Polymer Morphology in Aminopolymer/Silica Composites through Neutron Scattering.

    PubMed

    Holewinski, Adam; Sakwa-Novak, Miles A; Jones, Christopher W

    2015-09-16

    Composites of poly(ethylenimine) (PEI) and mesoporous silica are effective, reversible adsorbents for CO2, both from flue gas and in direct air-capture applications. The morphology of the PEI within the silica can strongly impact the overall carbon capture efficiency and rate of saturation. Here, we directly probe the spatial distribution of the supported polymer through small-angle neutron scattering (SANS). Combined with textural characterization from physisorption analysis, the data indicate that PEI first forms a thin conformal coating on the pore walls, but all additional polymer aggregates into plug(s) that grow along the pore axis. This model is consistent with observed trends in amine-efficiency (CO2/N binding ratio) and pore size distributions, and points to a trade-off between achieving high chemical accessibility of the amine binding sites, which are inaccessible when they strongly interact with the silica, and high accessibility for mass transport, which can be hampered by diffusion through PEI plugs. We illustrate this design principle by demonstrating higher CO2 capacity and uptake rate for PEI supported in a hydrophobically modified silica, which exhibits repulsive interactions with the PEI, freeing up binding sites. PMID:26308183

  5. Laterally patterned spin-valve superlattice: Magnetometry and polarized neutron scattering study

    SciTech Connect

    Brüssing, F.; Devishvili, A.; Zabel, H.; Toperverg, B. P.; Badini Confalonieri, G. A.; Theis-Bröhl, K.

    2015-04-07

    The magnetization reversal of magnetic multilayers with spin-valve like characteristics, patterned into an array of parallel stripes, was structurally and magnetically analyzed, in detail, via x-ray scattering, magnetometry, and polarized neutron reflectivity. Each stripe contains a multiple repetition of the layer sequence [Fe/Cr/Co/Cr]. X-ray and neutron scattering maps of the patterned multilayer show rich details resulting from the superposition of Bragg peaks representing the lateral in-plane periodicity and the out-of-plane multilayer period. Detailed analysis of specular and off-specular polarized neutron intensity was used to ascertain the antiparallel alignment of the Co and Fe magnetization within the kink region of their combined hysteresis loop between the coercive fields of Fe and Co layers. This includes also an examination of domain formation and inter- as well as intra-stripe correlation effects upon magnetization reversal. Our combined study shows that the shape induced anisotropy via patterning is capable of overriding the four-fold crystal anisotropy but is unable to eliminate the ripple domain state of the Co layers, already present in the continuous multilayer.

  6. Quantification of Organic Porosity and Water Accessibility in Marcellus Shale Using Neutron Scattering

    DOE PAGESBeta

    Gu, Xin; Mildner, David F. R.; Cole, David R.; Rother, Gernot; Slingerland, Rudy; Brantley, Susan L.

    2016-04-28

    Pores within organic matter (OM) are a significant contributor to the total pore system in gas shales. These pores contribute most of the storage capacity in gas shales. Here we present a novel approach to characterize the OM pore structure (including the porosity, specific surface area, pore size distribution, and water accessibility) in Marcellus shale. By using ultrasmall and small-angle neutron scattering, and by exploiting the contrast matching of the shale matrix with suitable mixtures of deuterated and protonated water, both total and water-accessible porosity were measured on centimeter-sized samples from two boreholes from the nanometer to micrometer scale withmore » good statistical coverage. Samples were also measured after combustion at 450 °C. Analysis of scattering data from these procedures allowed quantification of OM porosity and water accessibility. OM hosts 24–47% of the total porosity for both organic-rich and -poor samples. This porosity occupies as much as 29% of the OM volume. In contrast to the current paradigm in the literature that OM porosity is organophilic and therefore not likely to contain water, our results demonstrate that OM pores with widths >20 nm exhibit the characteristics of water accessibility. In conclusion, our approach reveals the complex structure and wetting behavior of the OM porosity at scales that are hard to interrogate using other techniques.« less

  7. Investigation of the tripoli porous structure by small-angle neutron scattering

    SciTech Connect

    Avdeev, M. V.; Blagoveshchenskii, N. M.; Garamus, V. M.; Novikov, A. G. Puchkov, A. V.

    2011-12-15

    The characteristics of the tripoli porous structure have been investigated by small-angle neutron scattering (SANS). Tripoli is a finely porous sedimentary rock formed by small spherical opal particles. Its main component is aqueous silica SiO{sub 2} {center_dot} nH{sub 2}O (80-90%). Tripoli is widely used in practice as a working medium for sorption filters and in some other commercial and construction technologies. The shape of the experimental SANS curves indicates the presence of small and large pores in tripoli. The small-pore size was estimated to be {approx}100 Angstrom-Sign . The size of large pores turned out to be beyond the range of neutron wave vector transfers Q that are available for the instrument used; however, their size was indirectly estimated to be {approx}(2000-2500) Angstrom-Sign . The pores of both groups behave as surfacetype fractal scatterers with the fractal dimension D {approx} 2.2-2.6. The densities of pores of these two groups differ by approximately three orders of magnitude ({approx}10{sup 16} and {approx}10{sup 13} cm{sup -3} for small and large pores, respectively); the fraction of large pores amounts to 70-80% of the total pore volume. The found pore characteristics (their densities, sizes, and relative volumes) are in satisfactory agreement (when a comparison is possible) with the absorption data.

  8. Charging and uncharging a neutral polymer in solution: a small-angle neutron scattering investigation.

    PubMed

    Fajalia, Ankitkumar I; Tsianou, Marina

    2014-09-11

    Aqueous formulations containing polymers and surfactants find several applications in pharmaceutics, coatings, inks, and home products. The association between polymers and surfactants contributes greatly to the function of these complex fluids, however, the effects of polar organic solvents, ubiquitous in formulations, remain mostly unexplored. We have analyzed small angle neutron scattering (SANS) data to determine the conformation of a "model" nonionic polymer, poly(ethylene oxide) (PEO), in aqueous solutions as affected by the presence of an ionic surfactant, sodium dodecyl sulfate (SDS), and subsequent addition of short-chain alcohol (ethanol or 2-propanol). PEO chains (MW = 90,000) are Gaussian in dilute aqueous solutions, but become polyelectrolyte-like upon the addition of 30 mM SDS, with about 6 SDS micelles bound to each PEO chain. Micelles associated with polymer are similar in structure and interactions to micelles that form in aqueous solutions in the absence of polymer. Addition of alcohol alters both the polymer and micelle structure and interactions, leads to detachment of micelles from the polymer, and the PEO chains regain their Gaussian conformation. 2-Propanol is more effective than ethanol in influencing the polymer conformation and the properties of SDS micelles in aqueous solutions, either in the presence or in the absence of PEO. This study contributes fundamental insights on polymer and surfactant organization in solution, as well as new, quantitative information on systems that are widely used in practice. PMID:25014246

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

    SciTech Connect

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

    1996-05-01

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

  10. Study of nanoscale structures in hydrated biomaterials using small-angle neutron scattering

    PubMed Central

    Luk, Arnold; Murthy, N. Sanjeeva; Wang, Wenjie; Rojas, Ramiro; Kohn, Joachim

    2012-01-01

    Distribution of water in three classes of biomedically relevant and degradable polymers was investigated using small-angle neutron scattering. In semicrystalline polymers, such as poly(lactic acid) and poly(glycolic acid), water was found to diffuse preferentially into the noncrystalline regions. In amorphous polymers, such as poly(D,L-lactic acid) and poly(lactic-co-glycolic acid), the scattering after 7-days of incubation was attributed to water in microvoids that form following the hydrolytic degradation of the polymer. In amorphous copolymers containing hydrophobic segments (desaminotyrosyl-tyrosine ethyl ester) and hydrophilic blocks (poly(ethylene glycol) PEG), a sequence of distinct regimes of hydration were observed: homogeneous distribution (~ 10 Å length scales) at <13 wt% PEG (~ 1 water per EG), clusters of hydrated domains (~50 Å radius) separated at 24 wt% PEG (1 to 2 water per EG), uniformly distributed hydrated domains at 41 wt% PEG (~ 4 water per EG), and phase inversion at > 50 wt% PEG ( > 6 water per EG ). Increasing PEG content increased the number of these domains with only a small decrease in distance between the domains. These discrete domains appeared to coalesce to form submicron droplets at ~60 °C, above the melting temperature of crystalline PEG. Significance of such observations on the evolution of μm size channels that form during hydrolytic erosion is discussed. PMID:22227373

  11. Ultra high resolution neutron scattering: Neutron Resonance Spin-Echo and Larmor Diffraction

    NASA Astrophysics Data System (ADS)

    Walters, Andrew; Keller, Thomas; Keimer, Bernhard

    2012-02-01

    The TRISP spectrometer at the FRM II neutron source near Munich, Germany, is a unique world-leading neutron scattering instrument which employs the Neutron Resonance Spin-Echo technique (NRSE). Linewidths of dispersive excitations with energy transfers up to 50 meV can be measured with an energy resolution in the μeV range without the restrictive flux limitations that normally apply to high resolution neutron triple-axis spectrometers. Pioneering studies on the electron-phonon interaction in elemental superconductorsootnotetextP. Aynajian et al., Science 319 1509 (2008) and the lifetimes of magnetic excitations in archetypal magnetic systems will be reviewed.ootnotetextS. Bayrakci et al., Science 312 1928 (2006) The instrument can also be used as a Larmor diffractometer, enabling d-spacings to be measured with a resolution of δdd ˜10-6, i.e. more than one order of magnitude more sensitive than conventional diffraction techniques.ootnotetextC. Pfleiderer et al., Science 316 1871 (2007) Ongoing and future NRSE and Larmor diffraction projects will be outlined, especially in regard to prospective studies which will take full advantage of the new low temperature and high pressure sample environment capabilities now available at TRISP.

  12. Effects of Soman Inhibition and of Structural Differences on Cholinesterase Molecular Dynamics: A Neutron Scattering Study

    PubMed Central

    Gabel, F.; Weik, M.; Masson, P.; Renault, F.; Fournier, D.; Brochier, L.; Doctor, B. P.; Saxena, A.; Silman, I.; Zaccai, G.

    2005-01-01

    Incoherent elastic neutron scattering experiments on members of the cholinesterase family were carried out to investigate how molecular dynamics is affected by covalent inhibitor binding and by differences in primary and quaternary structure. Tetrameric native and soman-inhibited human butyrylcholinesterase (HuBChE) as well as native dimeric Drosophila melanogaster acetylcholinesterase (DmAChE) hydrated protein powders were examined. Atomic mean-square displacements (MSDs) were found to be identical for native HuBChE and for DmAChE in the whole temperature range examined, leading to the conclusion that differences in activity and substrate specificity are not reflected by a global modification of subnanosecond molecular dynamics. MSDs of native and soman-inhibited HuBChE were identical below the thermal denaturation temperature of the native enzyme, indicating a common mean free-energy surface. Denaturation of the native enzyme is reflected by a relative increase of MSDs consistent with entropic stabilization of the unfolded state. The results suggest that the stabilization of HuBChE phosphorylated by soman is due to an increase in free energy of the unfolded state due to a decrease in entropy. PMID:16100272

  13. Laterally patterned spin-valve superlattice: Magnetometry and polarized neutron scattering study

    NASA Astrophysics Data System (ADS)

    Brüssing, F.; Toperverg, B. P.; Devishvili, A.; Badini Confalonieri, G. A.; Theis-Bröhl, K.; Zabel, H.

    2015-04-01

    The magnetization reversal of magnetic multilayers with spin-valve like characteristics, patterned into an array of parallel stripes, was structurally and magnetically analyzed, in detail, via x-ray scattering, magnetometry, and polarized neutron reflectivity. Each stripe contains a multiple repetition of the layer sequence [Fe/Cr/Co/Cr]. X-ray and neutron scattering maps of the patterned multilayer show rich details resulting from the superposition of Bragg peaks representing the lateral in-plane periodicity and the out-of-plane multilayer period. Detailed analysis of specular and off-specular polarized neutron intensity was used to ascertain the antiparallel alignment of the Co and Fe magnetization within the kink region of their combined hysteresis loop between the coercive fields of Fe and Co layers. This includes also an examination of domain formation and inter- as well as intra-stripe correlation effects upon magnetization reversal. Our combined study shows that the shape induced anisotropy via patterning is capable of overriding the four-fold crystal anisotropy but is unable to eliminate the ripple domain state of the Co layers, already present in the continuous multilayer.

  14. Polymer Diffusion in Microgels with Upper Critical Solution Temperature as Studied by Incoherent Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Serrano Ruiz, D.; Alonso Cristobal, P.; Laurenti, M.; Rubio Retama, J.; Lopez-Cabarcos, E.

    2014-11-01

    Poly(acrylic-acrylamide) interpenetrated microgels present continuous phase transition from collapsed to swollen state around 42 °C. The upper critical solution temperature (UCST) of this polymeric system has prompted scientists to consider them candidates for its use in biological applications such as smart drug delivery devices since the swelling of the polymer matrix would permit the release of the drug previously entrapped within the microgels. In these systems the increment of the temperature can break inter-chain interactions, mainly hydrogen bonds, which reduce the elastic tension that stabilizes the microgel, favoring the polymer swelling. The microgel molecular dynamics at the UCST can be investigated using Incoherent Elastic (IENS) and Quasielastic Neutron Scattering (IQNS). From the analysis of the IQNS data we obtained that the diffusion coefficient of the polymer segments depends on the composition of the interpenetrated matrix. Thus, at room temperature, microgels with a polymer composition of 50% of each component present a diffusion coefficient 1·10-12 m2/s, while for the microgels formed by only one component the diffusion coefficient is 5.10-10 m2/s. This huge difference in the diffusion coefficient is conspicuously reduced when temperature increases, and we attribute this effect to the breaking of the inter-chain interaction. By means of FTIR-ATR analysis we have identified the groups that are involved in this phenomenon and we associate the breaking of the polyacrylic-polyacrylamide interactions with the swelling of the microgels.

  15. Small-angle Neutron Scattering Measurements of Liquid Helium Mixtures Confined in MCM-41

    NASA Astrophysics Data System (ADS)

    Kaiser, Helmut; Prisk, Timothy; Sokol, Paul; Steward, Ian; Pantalei, Claudia

    2011-03-01

    Small-angle neutron scattering (SANS) was used to study the isotopic distribution of liquid helium mixtures confined in MCM- 41, a silica glass with a 2D hexagonal net of monodisperse cylindrical pores, as a function of filling and He 3 concentration. The ordered pore array of MCM-41 gives rise to Bragg reflections with intensities determined by both how the liquid fills the pores and how the isotopes are distributed within the pores. The modulation in peak intensity can be modeled by writing down a form factors for cylindrical objects with varying scattering length density. Comparison will be made with small-angle X-ray (SAXS) scattering measurements performed with synchrotron light on liquid helium mixtures confined in aerogel. This work was supported by award 70NANB5H1163 from NIST, U.S. DOC. This Research at Oak Ridge National Laboratory's High Flux Isotope was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy.

  16. Investigation of Monodisperse Dendrimeric Polysaccharide Nanoparticle Dispersions Using Small Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Atkinson, John; Nickels, Jonathan; Papp-Szabo, Erzsi; Katsaras, John; Dutcher, John

    2015-03-01

    Phytoglycogen is a highly branched polysaccharide that is very similar to the energy storage molecule glycogen. We have isolated monodisperse phytoglycogen nanoparticles from corn and these particles are attractive for applications in the cosmetic, food and beverage, and biomedical industries. Many of these promising applications are due to the special interaction between the nanoparticles and water, which results in: (1) high solubility; (2) low viscosity and high stability in aqueous dispersions; and (3) a remarkable capacity to sequester and retain water. Our rheology measurements indicate that the nanoparticles behave like hard spheres in water, with the viscosity diverging for concentrations >25% (w/w). Because of this, aqueous suspensions of phytoglycogen provide an ideal platform for detailed testing of theories of colloidal glasses and jamming. To further explore the interaction of the phytoglycogen particles and water, we have performed small angle neutron scattering (SANS) measurements on the Extended Q-Range SANS (EQ-SANS) diffractometer at the Spallation Neutron Source at Oak Ridge National Laboratory. Measurements performed on phytoglycogen dispersions in mixtures of hydrogenated and deuterated water have allowed us to determine the particle size and average particle spacing as a function of the phytoglycogen concentration in the limits of dilute and concentrated dispersions.

  17. Incoherent quasielastic neutron scattering study on the polymorphism of tristearin: dynamical properties of hydrocarbon chains.

    PubMed

    Takechi, Chikayo; Kawaguchi, Tatsuya; Kaneko, Fumitoshi; Yamamuro, Osamu; Akita, Hiroyuki; Ono, Machiko; Suzuki, Masao

    2007-08-23

    Dynamical properties of acyl chains in the three polymorphic phases alpha, beta', and beta of tristearin [C(3)H(5)(OCOC(17)H(35))3] have been studied by means of incoherent quasielastic neutron scattering (IQNS) using selectively deuterated samples. The mean square displacement of hydrogen atoms, , was estimated from the scattering vector Q dependence of the elastic scattering component under the harmonic approximation. It was shown that the temperature dependence of was significantly different between the three phases. There was no marked difference in between these phases up to 193 K, and the value increased linearly with temperature. Although the beta phase remained linear up to 293 K, the alpha and beta' phases started to show a nonlinear increase around 200 K, suggesting an anharmonic nature of molecular motions. The alpha phase exhibited the most conspicuous temperature dependence. These characteristics were ascribable to the difference in the lateral packing of acyl chains. Compared with the beta phase which has a tightly packed T// subcell, the beta' and alpha phases have looser O perpendicular and H subcells, respectively. The molecular motion in the alpha phase was analyzed using the model of uniaxial rotational diffusion in a onefold cosine potential. It has been clarified that the rotational fluctuation about the chain axis in the alpha phase is rather restricted compared with that in the rotator phase of n-alkanes. PMID:17661503

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

    SciTech Connect

    Vaknin, David; Demmel, Franz

    2014-05-01

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

  19. A method for moisture measurement in porous media based on epithermal neutron scattering.

    PubMed

    El Abd, A

    2015-11-01

    A method for moisture measurement in porous media was proposed. A wide beam of epithermal neutrons was obtained from a Pu-Be neutron source immersed in a cylinder made of paraffin wax. (3)He detectors (four or six) arranged in the backward direction of the incident beam were used to record scattered neutrons from investigated samples. Experiments of water absorption into clay and silicate bricks, and a sand column were investigated by neutron scattering. While the samples were absorbing water, scattered neutrons were recorded from fixed positions along the water flow direction. It was observed that, at these positions scattered neutrons increase as the water uptake increases. Obtained results are discussed in terms of the theory of macroscopic flow in porous media. It was shown that, the water absorption processes were Fickian and non Fickian in the sand column and brick samples, respectively. The advantages of applying the proposed method to study fast as well as slow flow processes in porous media are discussed. PMID:26298060

  20. Magnetization processes in nanostructured metals and small-angle neutron scattering

    SciTech Connect

    Loeffler, J.F.; Braun, H.B.; Wagner, W.; Kostorz, G.; Wiedenmann, A.

    2005-04-01

    The magnetization process in nanostructured (n-) Fe and Co was investigated via small-angle neutron scattering (SANS). In a zero field, the magnetization exhibits correlations extending over several grains. In intermediate applied magnetic fields around 1 kOe, n-Fe and n-Co samples with small grain sizes exhibit an anisotropic scattering profile with an unusual intensity enhancement for scattering vectors parallel to the field direction. Comparing the experimental data with a modeled granular microstructure containing magnetic domains of arbitrary size and orientation, we conclude that magnetic domains extending over several grains are tilted considerably out of the external field direction in intermediate fields. Since the domain size does not change significantly with the magnitude of the external field, we conclude that the magnetization process does not proceed via domain-wall motion. Together with theoretical arguments showing the existence of marginally stable domains within the random-anisotropy model, our SANS data suggests that the magnetization process proceeds by simultaneous reversal of a few adjacent domains, presumably in the form of small avalanches. This resembles the magnetization process predicted for random-field Ising magnets. Our theoretical analysis of SANS data is general and applies to other systems consisting of magnetic nanoclusters embedded in a nonmagnetic matrix.

  1. Using Small Angle Neutron Scattering on Glucose Oxidase immobilized on Single Layer Graphene

    NASA Astrophysics Data System (ADS)

    Rai, Durgesh; Gurusaran, M.; Qian, S.; Weiss, K.; Urban, V.; Li, P.; Ma, L.; Ajayan, P.; Narayanan, T.; Sekar, K.; Viswanathan, S.; Renugopalakrishanan, V.

    2015-03-01

    Reliable blood glucose monitoring using biosensors is valuable for health evaluations and medication in wake of chronic diabetic issues accompanying deviations from evolutionary human lifestyle. Glucose oxidase (GOx) is an ideal enzyme because of its specificity and the ability to electrochemically transduce from the enzymatic reaction. We use graphene-based electrode with GOx sensor matrix so that the emitted electrons from sensor matrix can flow across graphene nearly without scattering; crucial for constructing ultrasensitive-sensors. Thereafter, establishing a structure-property based relationships to tune the sensor topology with electrochemically output forms the main focus of the device development process. We have developed a methodology to obtain low-resolution hierarchical models of the aggregate matrix using Small Angle Neutron Scattering (SANS) technique. A Unified Fit model is used in tandem with GNOM, DAMMIN and DAMAVER to construct low-resolution models for GOx matrices. A detailed explanation of a general methodology for obtaining quantitative details aggregate structures along with qualitative models will be presented.

  2. Water Dynamics in Shewanella oneidensis at Ambient and High Pressure using Quasi-Elastic Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Foglia, Fabrizia; Hazael, Rachael; Simeoni, Giovanna G.; Appavou, Marie-Sousai; Moulin, Martine; Haertlein, Michael; Trevor Forsyth, V.; Seydel, Tilo; Daniel, Isabelle; Meersman, Filip; McMillan, Paul F.

    2016-01-01

    Quasielastic neutron scattering (QENS) is an ideal technique for studying water transport and relaxation dynamics at pico- to nanosecond timescales and at length scales relevant to cellular dimensions. Studies of high pressure dynamic effects in live organisms are needed to understand Earth’s deep biosphere and biotechnology applications. Here we applied QENS to study water transport in Shewanella oneidensis at ambient (0.1 MPa) and high (200 MPa) pressure using H/D isotopic contrast experiments for normal and perdeuterated bacteria and buffer solutions to distinguish intracellular and transmembrane processes. The results indicate that intracellular water dynamics are comparable with bulk diffusion rates in aqueous fluids at ambient conditions but a significant reduction occurs in high pressure mobility. We interpret this as due to enhanced interactions with macromolecules in the nanoconfined environment. Overall diffusion rates across the cell envelope also occur at similar rates but unexpected narrowing of the QENS signal appears between momentum transfer values Q = 0.7-1.1 Å-1 corresponding to real space dimensions of 6-9 Å. The relaxation time increase can be explained by correlated dynamics of molecules passing through Aquaporin water transport complexes located within the inner or outer membrane structures.

  3. Small angle neutron scattering (SANS) study of γ' precipitates in single crystals of AM1 superalloy

    NASA Astrophysics Data System (ADS)

    Bellet, D.; Bastie, P.; Royer, A.; Lajzerowicz, J.; Legrand, J. F.; Bonnet, R.

    1992-06-01

    The morphology of γ' precipitates of AM1 single crystal superalloys has been studied by small neutron scattering (SANS), and electron microscopy. Due to the single crystal nature of the samples, the SANS patterns are anisotropic and exhibit a fourfold symmetry corresponding both to the shape and to the spatial arrangement of the precipitates in a (001) plane. Measurements for other sample orientations have allowed us to improve the analysis of the shape of the precipitates. After creep deformation along the < 001 > axis, a twofold symmetry corresponding to the “rafting” of the γ' precipitates is observed in the (010) plane. The main effect of heat treatments at 1 050 °C, commonly used for industrial applications, is the coarsening of the precipitates. From the displacement of the correlation peaks towards smaller angles, we deduce an average centre-to-centre spacing between the precipitates which increases with the annealing time from 0.3 μm to 0.6 μm according to the Lifshitz, Slyosov, Wagner behaviour. The results are compared to electron microscopy measurements, performed on the same samples.

  4. Progress in Neutron Scattering Studies of Spin Excitations in High-T(c) Cuprates

    SciTech Connect

    Fujita M.; Tranquada J.; Hiraka, H.; Matsuda, M.; Matsuura, M.; Wakimoto, S.; Xu, G.; Yamada, K.

    2012-01-01

    Neutron scattering experiments continue to improve our knowledge of spin fluctuations in layered cuprates, excitations that are symptomatic of the electronic correlations underlying high-temperature superconductivity. Time-of-flight spectrometers, together with new and varied single crystal samples, have provided a more complete characterization of the magnetic energy spectrum and its variation with carrier concentration. While the spin excitations appear anomalous in comparison with simple model systems, there is clear consistency among a variety of cuprate families. Focusing initially on hole-doped systems, we review the nature of the magnetic spectrum, and variations in magnetic spectral weight with doping. We consider connections with the phenomena of charge and spin stripe order, and the potential generality of such correlations as suggested by studies of magnetic-field and impurity induced order. We contrast the behavior of the hole-doped systems with the trends found in the electron-doped superconductors. Returning to hole-doped cuprates, studies of translation-symmetry-preserving magnetic order are discussed, along with efforts to explore new systems. We conclude with a discussion of future challenges.

  5. Testing Monte Carlo Simulations for Neutron Scattering in MoNA

    NASA Astrophysics Data System (ADS)

    Hamann, A.; Garrett, S.; Seagren, T.; Taylor, N. E.; Rogers, W. F.; MoNA Collaboration

    2015-10-01

    Monte Carlo simulations provide an important tool for nuclear physics research, both in preparing for experiments, and in interpreting experimental data. The Modular Neutron Array (MoNA) and the Large area multi-Institutional Scintillator Array (LISA) are used in conjunction with the Sweeper Magnet and charged particle detector chamber at the National Superconducting Cyclotron Laboratory (NSCL) at Michigan State University to study the properties of exotic, neutron-rich nuclei. We use simulations to model our BC408 scintillator detectors and extract physics results from experimental data. We have developed specific simulations in preparation for an experiment we will conduct at the Los Alamos Neutron Science Center (LANSCE), where we will direct a well-defined neutron beam onto a cluster of 16 MoNA detector bars and observe the scattering patterns of single neutrons. Simulations enable us to study the predicted light output generated by individual neutron scattering channels from Carbon and Hydrogen. The data we will generate in the LANSCE experiment will provide a large experimental database with which to test the reliability of our simulations. This is important since our understanding of nuclei far from stability is becoming increasingly reliant on simulations. this work supported by NSF Grants PHY-1101745 and PHY-1506402.

  6. Microstructure of 3D-Printed Polymer Composites Investigated by Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Kang, Tae Hui; Compton, Brett G.; Heller, William T.; Urban, Voker S.; Duty, Chad E.; Do, Changwoo

    Polymer composites printed from the large scale printer at Manufacturing Demonstration Facility at Oak Ridge National Laboratory have been investigated by small-angle neutron scattering (SANS). For the Acrylonitrile Butadiene Styrene (ABS)/Carbon Fiber (CF) composites, the microstructure of polymer domains and the alignment of CF have been characterized across the layer from the printed piece. CF shows strong anisotropic alignment along the printing direction due to the flow of polymer melt at the nozzle. Order parameter of the anisotropy which ranges from -0.11 to -0.06 exhibits strong correlation with the position within the layer: stronger alignment near the layer interface. It is also confirmed that the existence of CF reduces the polymer domain correlation length significantly and reinforces the mechanical strength of the polymer composites. For the Epoxy/nano-clay platelet composites, the effect of processing condition, nozzle size, and the addition of the another filler, Silicon Carbide (SC), have been investigated by SANS. Nano-clay platelet shows strong anisotropic alignment along the printing direction as well. Order parameter of the anisotropy varies according to nozzle size and presence of the SC, and difference disappears at high Q region. Scientific User Facilities Division and Materials Sciences and Energy Division, Office of Basic Energy Sciences, U.S. Department of Energy.

  7. Molecular dynamics and neutron scattering study of the dependence of polyelectrolyte dendrimer conformation on counterion behavior

    SciTech Connect

    Chen, Wei-Ren; Do, Changwoo; Egami, T; Hong, Kunlun; Li, Xin; Liu, Emily; Liu, Yun; Porcar, L.; Smith, Gregory Scott; Smith, Sean C; Wu, Bin

    2012-01-01

    Atomistic molecular dynamics (MD) simulations and contrast variation small angle neutron scattering (SANS) technique have been used to investigate the generation-5 (G5) polyelectrolyte polyamidoamine (PAMAM) starburst dendrimer with respect to its conformational dependence on counterion behavior at different levels of molecular charge. Satisfactory agreement is seen between the simulated results, such as the excess intra-dendrimer scattering length density (SLD) distribution and hydration level, and their experimental counterparts. The conformational evolution of charged dendrimer appears to be highly dependent on the association behavior of counterion. We explore the nature of the distribution of counterions around charged amines and qualitatively account for its sensitivity to the counterion valency on the difference of excess free energy. Moreover, via extending the concept of electrical double layer for compact charged colloids, we define an effective radius of charged dendrimer based on the spatial distribution of counterions in its vicinity. Within the same framework, the correlation between the strength of intra-dendrimer electrostatic repulsion and counterion valency and dynamics is also addressed.

  8. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations

    SciTech Connect

    Kofu, Maiko; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu; Tyagi, Madhusudan

    2015-12-21

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (E{sub a}) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, E{sub a} increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  9. Neutron Scattering Analysis of Water's Glass Transition and Micropore Collapse in Amorphous Solid Water

    NASA Astrophysics Data System (ADS)

    Hill, Catherine R.; Mitterdorfer, Christian; Youngs, Tristan G. A.; Bowron, Daniel T.; Fraser, Helen J.; Loerting, Thomas

    2016-05-01

    The question of the nature of water's glass transition has continued to be disputed over many years. Here we use slow heating scans (0.4 K min-1 ) of compact amorphous solid water deposited at 77 K and an analysis of the accompanying changes in the small-angle neutron scattering signal, to study mesoscale changes in the ice network topology. From the data we infer the onset of rotational diffusion at 115 K, a sudden switchover from nondiffusive motion and enthalpy relaxation of the network at <121 K to diffusive motion across sample grains and sudden pore collapse at >121 K , in excellent agreement with the glass transition onset deduced from heat capacity and dielectric measurements. This indicates that water's glass transition is linked with long-range transport of water molecules on the time scale of minutes and, thus, clarifies its nature. Furthermore, the slow heating rates combined with the high crystallization resistance of the amorphous sample allow us to identify the glass transition end point at 136 K, which is well separated from the crystallization onset at 144 K—in contrast to all earlier experiments in the field.

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

    PubMed

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

    2013-10-28

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

  11. Small-angle neutron scattering correlation functions of bulk magnetic materials

    PubMed Central

    Mettus, Denis; Michels, Andreas

    2015-01-01

    On the basis of the continuum theory of micromagnetics, the correlation function of the spin-misalignment small-angle neutron scattering cross section of bulk ferromagnets (e.g. elemental polycrystalline ferromagnets, soft and hard magnetic nanocomposites, nanoporous ferromagnets, or magnetic steels) is computed. For such materials, the spin disorder which is related to spatial variations in the saturation magnetization and magnetic anisotropy field results in strong spin-misalignment scattering dΣM/dΩ along the forward direction. When the applied magnetic field is perpendicular to the incoming neutron beam, the characteristics of dΣM/dΩ (e.g. the angular anisotropy on a two-dimensional detector or the asymptotic power-law exponent) are determined by the ratio of magnetic anisotropy field strength H p to the jump ΔM in the saturation magnetization at internal interfaces. Here, the corresponding one- and two-dimensional real-space correlations are analyzed as a function of applied magnetic field, the ratio H p/ΔM, the single-particle form factor and the particle volume fraction. Finally, the theoretical results for the correlation function are compared with experimental data on nanocrystalline cobalt and nickel. PMID:26500464

  12. Small Angle Neutron Scattering of Mixtures of Linear and Network Polyelectrolyes with an Oppositely Charged Surfactant

    NASA Astrophysics Data System (ADS)

    Lee, Wonjoo; Kofinas, Peter; Briber, Robert M.

    2007-03-01

    In general, it has been found solutions containing a (linear) polyelectrolyte and an oppositely charged surfactant exhibit a complex range of phase behavior. We have performed small angle neutron scattering (SANS) on dilute and semi-dilute solutions of poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) with sodium dodecylsulfate (SDS). And, a structured hydrogel was formed by crosslinking a semi-dilute PDMAEMA solution containing SDS. SANS intensity of a dilute PDMAEMA solution shows that this polymer in D2O has only a few charges. In a dilute PDMAEMA solution with SDS, it was confirmed by SANS that spherical micelle-like structures associated along the polymer chain in a bead-and-necklace structure consistent with what has been observed in the (uncharged) poly(ethylene oxide)/SDS system. As the PDMAEMA concentration increased, a change of a peak position and a scattering shape was observed due to the interaction of the SDS with PDMAEMA. Furthermore, it is shown that the interaction between PDMAEMA and micelles is strong enough to maintain the nanoscale structure formed along the polymer chain, even after crosslinking, leading to a structured hydrogel.

  13. Pore distributions in nanocrystalline metals from small-angle neutron scattering

    SciTech Connect

    Sanders, P.G.; Weertman, J.R.; Eastman, J.A.

    1998-07-24

    Recent upgrades in inert-gas condensation processing equipment have produced nanocrystalline metal samples with high densities and low-impurity levels. Typical Cu and Pd samples have densities {ge}98% of theoretical and oxygen and hydrogen impurity concentrations {le}0.5 at. %. Lower porosity and impurity levels may make it difficult to produce and maintain samples with the smallest nanocrystalline grain sizes. These improved samples were studied by small-angle neutron scattering (SANS) to determine the volume fraction and size distribution of pores. Excellent correlation was obtained between the total volume fraction of pores and the Archimedes density for Pd, signifying that most of the pores were relatively small and in the detectability range of SANS ({approx}1--100 nm). Nanocrystalline Cu is shown to exhibit a wider pore size distribution. For Pd, the average pore sizes were slightly smaller than the average grain size, while for Cu the pore size and grain size were about the same. Both materials exhibited a trend of increasing pore size with increasing grain size. In terms of processing prerequisites, the principal condition for the production of high-density nanocrystalline Cu is an exceptionally clean synthesis environment, while nanocrystalline Pd requires compaction at elevated temperatures. These differences are the result of Cu having both a lower melting point and a greater susceptibility to contamination by gaseous impurities such as oxygen.

  14. Molecular dynamics force-field refinement against quasi-elastic neutron scattering data

    DOE PAGESBeta

    Borreguero Calvo, Jose M.; Lynch, Vickie E.

    2015-11-23

    Quasi-elastic neutron scattering (QENS) is one of the experimental techniques of choice for probing the dynamics at length and time scales that are also in the realm of full-atom molecular dynamics (MD) simulations. This overlap enables extension of current fitting methods that use time-independent equilibrium measurements to new methods fitting against dynamics data. We present an algorithm that fits simulation-derived incoherent dynamical structure factors against QENS data probing the diffusive dynamics of the system. We showcase the difficulties inherent to this type of fitting problem, namely, the disparity between simulation and experiment environment, as well as limitations in the simulationmore » due to incomplete sampling of phase space. We discuss a methodology to overcome these difficulties and apply it to a set of full-atom MD simulations for the purpose of refining the force-field parameter governing the activation energy of methyl rotation in the octa-methyl polyhedral oligomeric silsesquioxane molecule. Our optimal simulated activation energy agrees with the experimentally derived value up to a 5% difference, well within experimental error. We believe the method will find applicability to other types of diffusive motions and other representation of the systems such as coarse-grain models where empirical fitting is essential. In addition, the refinement method can be extended to the coherent dynamic structure factor with no additional effort.« less

  15. Molecular dynamics force-field refinement against quasi-elastic neutron scattering data

    SciTech Connect

    Borreguero Calvo, Jose M.; Lynch, Vickie E.

    2015-11-23

    Quasi-elastic neutron scattering (QENS) is one of the experimental techniques of choice for probing the dynamics at length and time scales that are also in the realm of full-atom molecular dynamics (MD) simulations. This overlap enables extension of current fitting methods that use time-independent equilibrium measurements to new methods fitting against dynamics data. We present an algorithm that fits simulation-derived incoherent dynamical structure factors against QENS data probing the diffusive dynamics of the system. We showcase the difficulties inherent to this type of fitting problem, namely, the disparity between simulation and experiment environment, as well as limitations in the simulation due to incomplete sampling of phase space. We discuss a methodology to overcome these difficulties and apply it to a set of full-atom MD simulations for the purpose of refining the force-field parameter governing the activation energy of methyl rotation in the octa-methyl polyhedral oligomeric silsesquioxane molecule. Our optimal simulated activation energy agrees with the experimentally derived value up to a 5% difference, well within experimental error. We believe the method will find applicability to other types of diffusive motions and other representation of the systems such as coarse-grain models where empirical fitting is essential. In addition, the refinement method can be extended to the coherent dynamic structure factor with no additional effort.

  16. Diffusive properties of water in Artemia cysts as determined from quasi-elastic neutron scattering spectra.

    PubMed Central

    Trantham, E C; Rorschach, H E; Clegg, J S; Hazlewood, C F; Nicklow, R M; Wakabayashi, N

    1984-01-01

    Results have been obtained on the quasi-elastic spectra of neutrons scattered from pure water, a 20% agarose gel (hydration four grams H2O per gram of dry solid) and cysts of the brine shrimp Artemia for hydrations between 0.10 and 1.2 grams H2O per gram of dry solids. The spectra were interpreted using a two-component model that included contributions from the covalently bonded protons and the hydration water, and a mobile water fraction. The mobile fraction was described by a jump-diffusion correlation function for the translation motion and a simple diffusive orientational correlation function. The results for the line widths gamma (Q2) for pure water were in good agreement with previous measurements. The agarose results were consistent with NMR measurements that show a slightly reduced translational diffusion for the mobile water fraction. The Artemia results show that the translational diffusion coefficient of the mobile water fraction was greatly reduced from that of pure water. The line width was determined mainly by the rotational motion, which was also substantially reduced from the pure water value as determined from dielectric relaxation studies. The translational and rotational diffusion parameters were consistent with the NMR measurements of diffusion and relaxation. Values for the hydration fraction and the mean square thermal displacement [u2] as determined from the Q-dependence of the line areas were also obtained. PMID:6733243

  17. Neutron scattering study on the magnetic and superconducting phases of MnP

    NASA Astrophysics Data System (ADS)

    Yano, Shinichiro; Lancon, Diane; Ronnow, Henrik; Hansen, Thomas; Gardner, Jason

    We have performed series of neutron scattering experiments on MnP. MnP has been investigated for decades because of its rich magnetic phase diagram. The magnetic structure of MnP is ferromagnetic (FM) below TC = 291 K. It transforms into a helimagnetic structure at TS = 47 K with a propagation vector q = 0 . 117a* . Superconductivity was found in MnP under pressures of 8 GPa with a TSC around 1 K by J.-G. Cheng. Since Mn-based superconductors are rare, and the superconducting phase occurs in the vicinity of FM, new magnetic and helimagnetic phases, there is a need to understand how the magnetism evolves as one approach the superconducting state. MnP is believed to be a double helix magnetic structure at TS = 47 K. We observed new 2 δ and 3 δ satellite peaks whose intensity are 200 ~ 1000 times smaller than these of 1 δ satellite peaks on the cold triple axis spectrometer SIKA under zero magnetic fields. We also found the periods of helimagnetic structure changes as a function of temperature. If time permits, we will discuss recent experiments under pressure. However, we have complete picture of magnetic structure of this system with and without applied pressure, revealing the interplay between the magnetic and superconducting phases.

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

    NASA Astrophysics Data System (ADS)

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

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

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

    PubMed

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

    2010-01-01

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

  20. Shear stabilization of critical fluctuations in bulk polymer blends studied by small angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Nakatani, Alan I.; Kim, Hongdoo; Takahashi, Yoshiaki; Matsushita, Yushu; Takano, Atsushi; Bauer, Barry J.; Han, Charles C.

    1990-07-01

    The small angle neutron scattering (SANS) technique has been used to study the concentration fluctuations of binary polymer mixtures under shear. Two different polymer systems, deuterated polystyrene/poly(vinylmethylether) and deuterated polystyrene/polybutadiene, have been studied as a function of temperature and shear rate. Due to the small wavelength of the incident neutron radiation compared with light, the shear dependence of concentration fluctuations in the one-phase region and in the strong shear limit has been obtained from the q dependence of the scattering structure factor for the first time. From a detailed analysis of the scattering structure factor S(q) a crossover value of the wave number qs has been obtained as a function of temperature and shear rate. This crossover wave number represents the inverse of the lowest fluctuation mode which is not affected by shear. The temperature, viscosity, and shear rate dependence of this experimentally determined qs agree well with a simple rotatory diffusion model and also the dynamic mode-mode coupling analysis of Kawasaki and Ferrell. The apparent spinodal temperature as a function of shear rate is shown to be consistent with the prediction of Onuki.

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

    SciTech Connect

    Bruce S. Hudson

    2004-10-27

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

  2. Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

    SciTech Connect

    Zhang, Yang; Tyagi, M.; Mamontov, Eugene; Chen, Sow-hsin H

    2011-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structural relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.

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

    SciTech Connect

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

    2005-03-01

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

  4. Mode-distribution analysis of quasielastic neutron scattering and application to liquid water

    NASA Astrophysics Data System (ADS)

    Kikuchi, Tatsuya; Nakajima, Kenji; Ohira-Kawamura, Seiko; Inamura, Yasuhiro; Yamamuro, Osamu; Kofu, Maiko; Kawakita, Yukinobu; Suzuya, Kentaro; Nakamura, Mitsutaka; Arai, Masatoshi

    2013-06-01

    A quasielastic neutron scattering (QENS) experiment is a particular technique that endeavors to define a relationship between time and space for the diffusion dynamics of atoms and molecules. However, in most cases, analyses of QENS data are model dependent, which may distort attempts to elucidate the actual diffusion dynamics. We have developed a method for processing QENS data without a specific model, wherein all modes can be described as combinations of the relaxations based on the exponential law. By this method, we can obtain a distribution function B(Q,Γ), which we call the mode-distribution function (MDF), to represent the number of relaxation modes and distributions of the relaxation times in the modes. The deduction of MDF is based on the maximum entropy method and is very versatile in QENS data analysis. To verify this method, reproducibility was checked against several analytical models, such as that with a mode of distributed relaxation time, that with two modes closely located, and that represented by the Kohlrausch-Williams-Watts function. We report the first application to experimental data of liquid water. In addition to the two known modes, the existence of a relaxation mode of water molecules with an intermediate time scale has been discovered. We propose that the fast mode might be assigned to an intermolecular motion and the intermediate motion might be assigned to a rotational motion of the water molecules instead of to the fast mode.

  5. In-situ small-angle neutron scattering from a block copolymer solution under shear

    SciTech Connect

    Balsara, N.P.; Kesani, P.K.; Jonnalagadda, S.V. . Dept. of Chemical Engineering); Hammouda, B. ); Straty, G.C. )

    1994-04-25

    Small-angle neutron scattering profiles from a concentrated (65 wt%) polystyrene-polyisoprene block copolymer solution in dioctyl phthalate under shear were obtained both above and below the quiescent order--disorder transition (ODT). The ordered solution has a lamellar structure under quiescent conditions. The shear-induced structure was inferred from scattering measurements in two planes: the v-vx[del]v plane and the [del]v-vx[del]v plane (v is the fluid velocity direction and [del]v is the velocity gradient direction). Below the quiescent ODT, oscillatory shear produces lamellae that are aligned along the shearing surface, while steady shear results in a reorientation of the lamellae normals from the v-vx[del]v plane to the [del]v-vx[del]v plane. Above the quiescent ODT, steady shear induces order above a critical shear rate. The resulting scattering anisotropy obtained at different temperatures obeys a universal scaling law, and the critical shear rate increases exponentially with temperature.

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

    NASA Astrophysics Data System (ADS)

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

    2013-10-01

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

  7. Kinetic small angle neutron scattering of the skyrmion lattice in MnSi

    NASA Astrophysics Data System (ADS)

    Mühlbauer, S.; Kindervater, J.; Adams, T.; Bauer, A.; Keiderling, U.; Pfleiderer, C.

    2016-07-01

    We report a kinetic small angle neutron scattering (SANS) study of the skyrmion lattice (SL) in MnSi. Induced by an oscillatory tilting of the magnetic field direction, the elasticity and relaxation of the SL along the magnetic field direction have been measured with microsecond resolution. For the excitation frequency of 325 {{Hz}} the SL begins to track the tilting motion of the applied magnetic field under tilting angles exceeding {α }{{c}}≳ 0.4^\\circ . Empirically the associated angular velocity of the tilting connects quantitatively with the critical charge carrier velocity of ∼ 0.1 {{mm}} {{{s}}}-1 under current driven spin transfer torques, for which the SL unpins. In addition, a pronounced temperature dependence of the skyrmion motion is attributed to the variation of the skyrmion stiffness. Taken together our study highlights the power of kinetic SANS as a new experimental tool to explore, in a rather general manner, the elasticity and impurity pinning of magnetic textures across a wide parameter space without parasitic signal interferences due to ohmic heating or Oersted magnetic fields.

  8. Neutron scattering studies of Ti-Cr-V bcc alloy with the residual hydrogen and deuterium

    NASA Astrophysics Data System (ADS)

    Mori, K.; Iwase, K.; Sugiyama, M.; Kofu, M.; Yamamuro, O.; Onodera, Y.; Otomo, T.; Fukunaga, T.

    2012-02-01

    Hydrogen and deuterium pressure-composition (P-C) isotherm measurements were carried out for Ti0.31Cr0.49V0.20 bcc alloy. As a result, the residual hydrogen-to-metal ratio (H/M)res was almost the same as the residual deuterium-to-metal one (D/M)res; the (H/M)res and (D/M)res were approximately 0.5. Furthermore, the neutron scattering experiments were conducted with Ti0.31Cr0.49V0.20 alloys including the residual hydrogen and/or deuterium. It was found that H atoms absorbed in the first absorption cycle up to H/M = 0.5 are hardly bound in the desorption cycle as the residual hydrogen, whereas D atoms are mainly bound in Ti0.31Cr0.49V0.20 bcc alloy as the residual deuterium when D2 gas is partially used in the H absorption reaction.

  9. Investigation of the interaction of dimethyl sulfoxide with lipid membranes by small-angle neutron scattering

    SciTech Connect

    Gorshkova, J. E. Gordeliy, V. I.

    2007-05-15

    The influence of dimethyl sulfoxide (CH{sub 3}){sub 2}SO (DMSO) on the structure of membranes of 1,2-dimiristoyl-sn-glycero-3-phosphatidylcholine (DMPC) in an excess of a water-DMSO solvent is investigated over a wide range of DMSO molar concentrations 0.0 {<=} X{sub DMSO} {<=} 1.0 at temperatures T = 12.5 and 55 deg. C. The dependences of the repeat distance d of multilamellar membranes and the thickness d{sub b} of single vesicles on the molar concentration X{sub DMSO} in the L{sub {beta}}{sub '} gel and L{sub {alpha}} liquid-crystalline phases are determined by small-angle neutron scattering. The intermembrane distance d{sub s} is determined from the repeat distance d and the membrane thickness d{sub b}. It is shown that an increase in the molar concentration X{sub DMSO} leads to a considerable decrease in the intermembrane distance and that, at X{sub DMSO} = 0.4, the neighboring membranes are virtually in steric contact with each other. The use of the deuterated phospholipid (DMSO-D6) and the contrast variation method makes it possible, for the first time, to determine the number of DMSO molecules strongly bound to the membrane.

  10. Small-angle neutron scattering reveals a pH-dependent conformational change in cellobiohydrolase I

    SciTech Connect

    Pingali, Sai Venkatesh; O'Neill, Hugh Michael; McGaughey, Joseph; Urban, Volker S; Myles, Dean A A; Petridis, Loukas; Smith, Jeremy C; Evans, Barbara R; Heller, William T

    2011-01-01

    Cellobiohydrolase I (Cel7A) of the fungus Trichoderma reesei (now classified as an anamorph of Hypocrea jecorina) hydrolyzes crystalline cellulose to soluble sugars, making it of key interest for producing fermentable sugars from biomass for biofuel production. The activity of the enzyme is pH-dependent, with its highest activity occurring at pH 4-5. To probe the response of the solution structure of Cel7A to changes in pH, we measured small angle neutron scattering of it in a series of solutions having pH values of 7.0, 6.0, 5.3, and 4.2. As the pH decreases from 7.0 to 5.3, the enzyme structure remains well defined, possessing a spatial differentiation between the cellulose binding domain and the catalytic core that only changes subtly. At pH 4.2, the solution conformation of the enzyme changes to a structure that is intermediate between a properly folded enzyme and a denatured, unfolded state, yet the secondary structure of the enzyme is essentially unaltered. The results indicate that at the pH of optimal activity, the catalytic core of the enzyme adopts a structure in which the compact packing typical of a fully folded polypeptide chain is disrupted and suggest that the increased range of structures afforded by this disordered state plays an important role in the increased activity of Cel7A through conformational selection.

  11. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

    2012-02-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

  13. Effects of pressure on the dynamics of a hyperthermophilic protein revealed by quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Shrestha, U. R.; Bhowmik, D.; Copley, J. R. D.; Tyagi, M.; Leao, J. B.; Chu, X.-Q.

    Inorganic pyrophosphatase (IPPase) from Thermococcus thioreducens is a large oligomeric protein derived from hyperthermophilic microorganism that is found near hydrothermal vents deep under the sea, where the pressure is nearly 100 MPa. Here we study the effects of pressure on the conformational flexibility and relaxation dynamics of IPPase over a wide temperature range using quasielastic neutron scattering (QENS) technique. Two spectrometers were used to investigate the β-relaxation dynamics of proteins in time ranges from 2 to 25 ps, and from 100 ps to 2 ns. Our results reveal that, under the pressure of 100 MPa, IPPase displays much faster relaxation dynamics than a mesophilic model protein, hen egg white lysozyme (HEWL), opposite to what we observed previously under the ambient pressure. These contradictory observations imply that high pressure affects the dynamical properties of proteins by distorting their energy landscapes. Accordingly, we derived a general schematic denaturation phase diagram that can be used as a general picture to understand the effects of pressure on protein dynamics and activities Wayne State Univ Startup Fund.

  14. Measuring material microstructure under flow using 1-2 plane flow-small angle neutron scattering.

    PubMed

    Gurnon, A Kate; Godfrin, P Douglas; Wagner, Norman J; Eberle, Aaron P R; Butler, Paul; Porcar, Lionel

    2014-01-01

    A new small-angle neutron scattering (SANS) sample environment optimized for studying the microstructure of complex fluids under simple shear flow is presented. The SANS shear cell consists of a concentric cylinder Couette geometry that is sealed and rotating about a horizontal axis so that the vorticity direction of the flow field is aligned with the neutron beam enabling scattering from the 1-2 plane of shear (velocity-velocity gradient, respectively). This approach is an advance over previous shear cell sample environments as there is a strong coupling between the bulk rheology and microstructural features in the 1-2 plane of shear. Flow-instabilities, such as shear banding, can also be studied by spatially resolved measurements. This is accomplished in this sample environment by using a narrow aperture for the neutron beam and scanning along the velocity gradient direction. Time resolved experiments, such as flow start-ups and large amplitude oscillatory shear flow are also possible by synchronization of the shear motion and time-resolved detection of scattered neutrons. Representative results using the methods outlined here demonstrate the useful nature of spatial resolution for measuring the microstructure of a wormlike micelle solution that exhibits shear banding, a phenomenon that can only be investigated by resolving the structure along the velocity gradient direction. Finally, potential improvements to the current design are discussed along with suggestions for supplementary experiments as motivation for future experiments on a broad range of complex fluids in a variety of shear motions. PMID:24561395

  15. The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Meyer, Andreas

    2015-01-01

    Quasielastic incoherent neutron scattering (QENS) has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially designed for QENS, enables the in-situ measurement on liquid metallic droplets of sizes between 5 mm to 10 mm in diameter. This gives access to the study of chemically reactive, refractory metallic melts and extends the accessible temperature range to undercoolings of several hundred Kelvin below the respective melting point. Compared to experiments using a thin-walled crucible giving hollow-cylindrical sample geometry it is shown that multiple scattering on levitated droplets is negligible for the analysis of the self-diffusion coefficient. QENS results of liquid germanium and 73germanium isotope mixtures, titanium, nickel, copper and aluminum are reviewed. The self-diffusion coefficients of these systems are best described by an Arrhenius-type temperature dependence around their respective melting points.

  16. Measuring Material Microstructure Under Flow Using 1-2 Plane Flow-Small Angle Neutron Scattering

    PubMed Central

    Gurnon, A. Kate; Godfrin, P. Douglas; Wagner, Norman J.; Eberle, Aaron P. R.; Butler, Paul; Porcar, Lionel

    2014-01-01

    A new small-angle neutron scattering (SANS) sample environment optimized for studying the microstructure of complex fluids under simple shear flow is presented. The SANS shear cell consists of a concentric cylinder Couette geometry that is sealed and rotating about a horizontal axis so that the vorticity direction of the flow field is aligned with the neutron beam enabling scattering from the 1-2 plane of shear (velocity-velocity gradient, respectively). This approach is an advance over previous shear cell sample environments as there is a strong coupling between the bulk rheology and microstructural features in the 1-2 plane of shear. Flow-instabilities, such as shear banding, can also be studied by spatially resolved measurements. This is accomplished in this sample environment by using a narrow aperture for the neutron beam and scanning along the velocity gradient direction. Time resolved experiments, such as flow start-ups and large amplitude oscillatory shear flow are also possible by synchronization of the shear motion and time-resolved detection of scattered neutrons. Representative results using the methods outlined here demonstrate the useful nature of spatial resolution for measuring the microstructure of a wormlike micelle solution that exhibits shear banding, a phenomenon that can only be investigated by resolving the structure along the velocity gradient direction. Finally, potential improvements to the current design are discussed along with suggestions for supplementary experiments as motivation for future experiments on a broad range of complex fluids in a variety of shear motions. PMID:24561395

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

    PubMed

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

    2011-05-01

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

  18. Spin fluctuations of BaFe2(As,P)2 studied by neutron scattering

    NASA Astrophysics Data System (ADS)

    Lee, Chul-Ho; Steffens, P.; Qureshi, N.; Kihou, K.; Nakajima, M.; Iyo, A.; Eisaki, H.; Braden, M.

    2013-03-01

    Superconductivity can be induced in parent compounds of iron-based superconductors by several methods: carrier doping, external pressure and chemical pressure. To understand their superconducting mechanism, clarifying what is a common property for achieving high-Tc superconductivity is crucial. To date, studies on spin fluctuations have been mainly performed on carrier doped samples. On the other hand, there are only a few studies on chemical pressurized samples examined by powder samples. In this work, thus, we studied spin fluctuations of P doped BaFe2(As,P)2>(Tc = 29.5K) using single crystal samples. Inelastic neutron scattering measurements were conducted using triple axis spectrometer IN8 of ILL. As results, well-defined commensurate peaks have been observed at (0.5,0.5, L), which is consistent with the nesting vector of the Fermi surface. Energy spectrums at T = Tc show L dependence, suggesting a three dimensional character remains even in superconducting BaFe2(As,P)2. Clear spin gap has been observed below Tc, whose gap structure depends on L. Details will be discussed at the conference.

  19. Hydration-dependent internal dynamics of reverse micelles: A quasielastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Freda, Mariangela; Onori, Giuseppe; Paciaroni, Alessandro; Santucci, Aldo

    2003-08-01

    We studied the overall atomic mobility of sodium bis-(2-ethylhexyl) sulfosuccinate (AOT) reverse micelles in deuterated cyclohexane (C6D12) as a function of the molar ratio W=[D2O]/[AOT] with an incoherent quasielastic neutron scattering experiment at high energy resolution. For the almost anhydrous sample, the quasielastic broadening can be entirely attributed to the reverse micelle global motion, by considering explicitly both the rotational and the translational terms. As W increases above a threshold value W˜1 a wide quasielastic signal appears, which has been interpreted as the onset of a hydration-dependent intrinsic micelle dynamics. Such a contribution, which involves the AOT monomer hydrogen atoms, has a characteristic time of 0.2 ns. This result has been compared with previous dielectric measurements, which detected a relaxation process of the AOT fully hydrated head groups with the same characteristic time. The internal macromolecule mobility evaluated as a function of W numerically correlates with that of the mobile head groups, calculated by dielectric measurements. These findings suggest that both the hydrophobic and hydrophilic moieties dynamics is activated by the progressive hydration of the reverse micelle.

  20. Neutron scattering from coupled phonon-impurity modes in KCl1-c(KCN)c

    NASA Astrophysics Data System (ADS)

    Nicklow, R. M.; Crummett, W. P.; Mostoller, M.; Wood, R. F.

    1980-09-01

    The hybridization of host-lattice phonons with the internal-energy states of CN- impurities in KCl has been studied by inelastic neutron scattering as a function of temperature between 10 and 100 K for samples with impurity concentrations in the range c=0.4 to 6 at.%. A temperature- and concentration-dependent coupling between phonons with Eg symmetry and the Eg transitions of CN- ions is observed near a frequency of 0.5 THz, a value which is consistent with the energy-level spacings for CN- in KCl as deduced by Beyeler. However, an expected coupling of phonons and CN- transitions with T2g symmetry near the same frequency was not detected. A simple two-level model for the CN- impurity provides a rather good description of the data for the Eg coupled modes for c<2 at.%, but it deviates significantly for larger concentrations. Quasielastic scattering, which has a strong dependence on impurity concentration, temperature, and phonon wave vector, is also observed.

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

    PubMed

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

    2015-08-28

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

  2. Active Creation of Instrinsically Localized Vibrations in Uranium Using X-Ray and Neutron Scattering

    SciTech Connect

    Manley, M; Alatas, A; Trouw, F; Hults, W; Leu, B; Lynn, J; Chen, Y

    2007-08-23

    In real materials, nonlinear forces cause the frequencies of vibrating atoms to depend on amplitude. As a consequence, a large-amplitude fluctuation on the scale of the atom spacing can develop a frequency that does not resonate with the normal modes, causing energy to become trapped in an intrinsically localized mode (ILM)--also called 'discrete breather' or 'lattice soliton'. As temperature is increased, entropy is expected to stabilize increased concentrations of these random hotspots. This mechanism, which spontaneously concentrates energy, has been observed in analogous systems on a larger scale, but direct sightings at the atomic scale have proved difficult. Two challenges have hampered progress: (1) the need to separate ILMs from modes associated with crystal imperfections, and (2) complications that arise at high temperatures, including feature broadening and multiphonon processes. Here we solve both of these problems by actively creating ILMs at low temperatures in {alpha}-uranium using high-energy inelastic x-ray and neutron scattering. The ILM creation excitation occurs at energies ten times higher than conventional lattice excitations, cleanly separating it from modes associated with crystal imperfections. The discovery of this excitation not only proves the existence of ILMs in uranium but also opens up a new route for finding ILMs in other materials and, in the process, a new area for spectroscopy.

  3. Monomeric Amyloid Beta Peptide in Hexafluoroisopropanol Detected by Small Angle Neutron Scattering

    PubMed Central

    Zhang-Haagen, Bo; Biehl, Ralf; Nagel-Steger, Luitgard; Radulescu, Aurel; Richter, Dieter; Willbold, Dieter

    2016-01-01

    Small proteins like amyloid beta (Aβ) monomers are related to neurodegenerative disorders by aggregation to insoluble fibrils. Small angle neutron scattering (SANS) is a nondestructive method to observe the aggregation process in solution. We show that SANS is able to resolve monomers of small molecular weight like Aβ for aggregation studies. We examine Aβ monomers after prolonged storing in d-hexafluoroisopropanol (dHFIP) by using SANS and dynamic light scattering (DLS). We determined the radius of gyration from SANS as 1.0±0.1 nm for Aβ1–40 and 1.6±0.1 nm for Aβ1–42 in agreement with 3D NMR structures in similar solvents suggesting a solvent surface layer with 5% increased density. After initial dissolution in dHFIP Aβ aggregates sediment with a major component of pure monomers showing a hydrodynamic radius of 1.8±0.3 nm for Aβ1–40 and 3.2±0.4 nm for Aβ1–42 including a surface layer of dHFIP solvent molecules. PMID:26919121

  4. Coherent Dynamics of meta-Toluidine Investigated by QuasiElastic Neutron Scattering

    SciTech Connect

    Faraone, Antonio; Hong, Kunlun; Kneller, Larry; Ohl, Michael E; Copley, John R. D.

    2012-01-01

    The coherent dynamics of a typical fragile glass former, meta-toluidine, was investigated at the molecular level using quasielastic neutron scattering, with time-of-flight and neutron spin echo spectrometers. It is well known that the static structure factor of meta-toluidine shows a prepeak originating from clustering of the molecules through hydrogen bonding between the amine groups. The dynamics of meta-toluidine was measured for several values of the wavevector transfer Q, which is equivalent to an inverse length scale, in a range encompassing the prepeak and the structure factor peak. Data were collected in the temperature range corresponding to the liquid and supercooled states, down to the glass transition. At least two dynamical processes were identified. This paper focuses on the slowest relaxation process in the system, the {alpha}-relaxation, which was found to scale with the macroscopic shear viscosity at all the investigated Q values. No evidence of 'de Gennes' narrowing associated with the prepeak was observed, in contrast with what happens at the Q value corresponding to the interparticle distance. Moreover, using partially deuterated samples, the dynamics of the clusters was found to be correlated to the single-particle dynamics of the meta-toluidine molecules.

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

    NASA Astrophysics Data System (ADS)

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

    2008-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

  7. 3D reconstruction of carbon nanotube networks from neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Mahdavi, Mostafa; Baniassadi, Majid; Baghani, Mostafa; Dadmun, Mark; Tehrani, Mehran

    2015-09-01

    Structure reconstruction from statistical descriptors, such as scattering data obtained using x-rays or neutrons, is essential in understanding various properties of nanocomposites. Scattering based reconstruction can provide a realistic model, over various length scales, that can be used for numerical simulations. In this study, 3D reconstruction of a highly loaded carbon nanotube (CNT)-conducting polymer system based on small and ultra-small angle neutron scattering (SANS and USANS, respectively) data was performed. These light-weight and flexible materials have recently shown great promise for high-performance thermoelectric energy conversion, and their further improvement requires a thorough understanding of their structure-property relationships. The first step in achieving such understanding is to generate models that contain the hierarchy of CNT networks over nano and micron scales. The studied system is a single walled carbon nanotube (SWCNT)/poly (3,4-ethylenedioxythiophene):poly (styrene sulfonate) (PEDOT:PSS). SANS and USANS patterns of the different samples containing 10, 30, and 50 wt% SWCNTs were measured. These curves were then utilized to calculate statistical two-point correlation functions of the nanostructure. These functions along with the geometrical information extracted from SANS data and scanning electron microscopy images were used to reconstruct a representative volume element (RVE) nanostructure. Generated RVEs can be used for simulations of various mechanical and physical properties. This work, therefore, introduces a framework for the reconstruction of 3D RVEs of high volume faction nanocomposites containing high aspect ratio fillers from scattering experiments.

  8. Small angle neutron scattering study of the gemini nonionic surfactant in heavy water solutions

    NASA Astrophysics Data System (ADS)

    Rajewska, A.

    2012-03-01

    The nonionic gemini surfactant α α'-[2,4,7,9-tetramethyl-5-decyne-4,7diyl]bis[ω hydroxyl-polyoxyethylene] (S-10) was investigated in heavy water solutions only for concentrations: 2.3%, 2.5%,3%, 3.4%, 4% and 5% at temperature 25°C with small angle neutron scattering (SANS) method. All of surfactants solutions were prepared using D2O (99.9% deuterated, Prikladnaia Chimia, St. Petersburg, Russia) as a solvent. The nonionic gemini surfactant S-10 was obtained from Air Products & Chemicals, Inc., and used without further purification. All SANS measurements were performed on V-4 SANS spectrometer at BENSC, Berlin (Germany). Neutrons were used in wavelength range of 0.02 - 4 nm-1. For the measurements quartz cells of were used during experiment. Up to 14 such cells were placed in a holder. Results from experiment was calculated and evaluated with PCG 2.0 program from Graz University (Austria). In the investigated solutions two axis ellipsoidal micelles was observed.

  9. Fractal Structures on Fe3O4 Ferrofluid: A Small-Angle Neutron Scattering Study

    NASA Astrophysics Data System (ADS)

    Giri Rachman Putra, Edy; Seong, Baek Seok; Shin, Eunjoo; Ikram, Abarrul; Ani, Sistin Ari; Darminto

    2010-10-01

    A small-angle neutron scattering (SANS) which is a powerful technique to reveal the large scale structures was applied to investigate the fractal structures of water-based Fe3O4ferrofluid, magnetic fluid. The natural magnetite Fe3O4 from iron sand of several rivers in East Java Province of Indonesia was extracted and purified using magnetic separator. Four different ferrofluid concentrations, i.e. 0.5, 1.0, 2.0 and 3.0 Molar (M) were synthesized through a co-precipitation method and then dispersed in tetramethyl ammonium hydroxide (TMAH) as surfactant. The fractal aggregates in ferrofluid samples were observed from their SANS scattering distributions confirming the correlations to their concentrations. The mass fractal dimension changed from about 3 to 2 as ferrofluid concentration increased showing a deviation slope at intermediate scattering vector q range. The size of primary magnetic particle as a building block was determined by fitting the scattering profiles with a log-normal sphere model calculation. The mean average size of those magnetic particles is about 60 - 100 Å in diameter with a particle size distribution σ = 0.5.

  10. Hydration dependent studies of highly aligned multilayer lipid membranes by neutron scattering

    NASA Astrophysics Data System (ADS)

    Trapp, Marcus; Gutberlet, Thomas; Juranyi, Fanni; Unruh, Tobias; Demé, Bruno; Tehei, Moeava; Peters, Judith

    2010-10-01

    We investigated molecular motions on a picosecond timescale of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) model membranes as a function of hydration by using elastic and quasielastic neutron scattering. Two different hydrations corresponding to approximately nine and twelve water molecules per lipid were studied, the latter being the fully hydrated state. In our study, we focused on head group motions by using chain deuterated lipids. Information on in-plane and out-of-plane motions could be extracted by using solid supported DMPC multilayers. Our studies confirm and complete former investigations by König et al. [J. Phys. II (France) 2, 1589 (1992)] and Rheinstädter et al. [Phys. Rev. Lett. 101, 248106 (2008)] who described the dynamics of lipid membranes, but did not explore the influence of hydration on the head group dynamics as presented here. From the elastic data, a clear shift of the main phase transition from the Pβ ripple phase to the Lα liquid phase was observed. Decreasing water content moves the transition temperature to higher temperatures. The quasielastic data permit a closer investigation of the different types of head group motion of the two samples. Two different models are needed to fit the elastic incoherent structure factor and corresponding radii were calculated. The presented data show the strong influence hydration has on the head group mobility of DMPC.

  11. Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study.

    PubMed

    O'Malley, Alexander J; García Sakai, Victoria; Silverwood, Ian P; Dimitratos, Nikolaos; Parker, Stewart F; Catlow, C Richard A

    2016-06-29

    The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300-400 K. The experimental diffusion coefficients were measured in the range 2-5 × 10(-10) m(2) s(-1) and simulated diffusion coefficients calculated in the range of 1.6-3.2 × 10(-9) m(2) s(-1). Activation energies were measured as 8.8 and 6.9 kJ mol(-1) using QENS and MD respectively. Differences may be attributed predominantly to the experimental use of a dealuminated HY sample, containing significant defects such as strongly adsorbing silanol nests, compared to a perfect simulated crystal containing only evenly distributed Brønsted acid sites. Experimental and simulated diffusivities measured in this study are lower than those obtained from those previously calculated in siliceous faujasite, due to methanol H-bonding to Brønsted acid sites as observed in the MD simulations. However, both experimental and simulated diffusivities were significantly higher than those obtained in NaX, due to the higher concentration of extraframework cations present in the previously studied structures. PMID:27249167

  12. Some Nuclear Techniques in Experimental Magnetism: Mössbauer Effect, Neutron Scattering and Nuclear Magnetic Resonance

    NASA Astrophysics Data System (ADS)

    Piecuch, Michel

    The goal of this chapter is to present three traditional methods for the study of magnetic properties : Mössbauer effect, neutron diffraction and nuclear magnetic resonance. It begins by recalling the basic properties of atomic nuclei and describing the hyperfine interactions between the nucleus and its surrounding. Then, the recoilless absorption of γ-rays by crystal, the Mössbauer effect is presented, we discuss the main parameters measured and show one example of application. Next we present neutron interactions with matter, the interaction of neutrons with the atomic nucleus and the interaction of the neutron magnetic moment with the magnetic moment of electrons. The use of polarized neutron and the inelastic scattering of neutrons are also discussed. The comparison between neutron experiments and synchrotron radiation techniques is briefly reviewed. One example of the use of neutron scattering in the domain of thin film magnetism is shown. Finally, we present the basic theory of nuclear magnetic resonance and one application of this technique to the study of Co/Cu multilayers.

  13. Inelastic Neutron Scattering Study of Ce3Sn and Ce3In

    NASA Astrophysics Data System (ADS)

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

    2009-03-01

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

  14. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations

    NASA Astrophysics Data System (ADS)

    Kofu, Maiko; Tyagi, Madhusudan; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu

    2015-12-01

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (Ea) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, Ea increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  15. Modeling and small-angle neutron scattering spectra of chromatin supernucleosomal structures at genome scale

    NASA Astrophysics Data System (ADS)

    Ilatovskiy, Andrey V.; Lebedev, Dmitry V.; Filatov, Michael V.; Grigoriev, Mikhail; Petukhov, Michael G.; Isaev-Ivanov, Vladimir V.

    2011-11-01

    Eukaryotic genome is a highly compacted nucleoprotein complex organized in a hierarchical structure based on nucleosomes. Detailed organization of this structure remains unknown. In the present work we developed algorithms for geometry modeling of the supernucleosomal chromatin structure and for computing distance distribution functions and small-angle neutron scattering (SANS) spectra of the genome-scale (˜106 nucleosomes) chromatin structure at residue resolution. Our physical nucleosome model was based on the mononucleosome crystal structure. A nucleosome was assumed to be rigid within a local coordinate system. Interface parameters between nucleosomes can be set for each nucleosome independently. Pair distance distributions were computed with Monte Carlo simulation. SANS spectra were calculated with Fourier transformation of weighted distance distribution; the concentration of heavy water in solvent and probability of H/D exchange were taken into account. Two main modes of supernucleosomal structure generation were used. In a free generation mode all interface parameters were chosen randomly, whereas nucleosome self-intersections were not allowed. The second generation mode (generation in volume) enabled spherical or cubical wall restrictions. It was shown that calculated SANS spectra for a number of our models were in general agreement with available experimental data.

  16. Neutron Scattering Analysis of Water's Glass Transition and Micropore Collapse in Amorphous Solid Water.

    PubMed

    Hill, Catherine R; Mitterdorfer, Christian; Youngs, Tristan G A; Bowron, Daniel T; Fraser, Helen J; Loerting, Thomas

    2016-05-27

    The question of the nature of water's glass transition has continued to be disputed over many years. Here we use slow heating scans (0.4  K min^{-1}) of compact amorphous solid water deposited at 77 K and an analysis of the accompanying changes in the small-angle neutron scattering signal, to study mesoscale changes in the ice network topology. From the data we infer the onset of rotational diffusion at 115 K, a sudden switchover from nondiffusive motion and enthalpy relaxation of the network at <121  K to diffusive motion across sample grains and sudden pore collapse at >121  K, in excellent agreement with the glass transition onset deduced from heat capacity and dielectric measurements. This indicates that water's glass transition is linked with long-range transport of water molecules on the time scale of minutes and, thus, clarifies its nature. Furthermore, the slow heating rates combined with the high crystallization resistance of the amorphous sample allow us to identify the glass transition end point at 136 K, which is well separated from the crystallization onset at 144 K-in contrast to all earlier experiments in the field. PMID:27284664

  17. New Insights into Pore Characteristics and Hydrocarbon Generation of Shale Using Small-Angle Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Ding, M.; Hartl, M.; Wang, Y.; Hjelm, R.

    2014-12-01

    Pore size, distribution, connectivity, and shape as well as hydrocarbon saturation and composition reflect the history of hydrocarbon maturation and migration. However, characterization of the underlying factors and processes controlling hydrocarbons behavior in tight rocks is extremely limited, especially lacking of direct experimental observations. We have studied the pore characteristics of marine and lacustrine shale from the Erdos basin, China during laboratory pyrolysis using small-angle neutron scattering (SANS). Our SANS results show that scattering intensity of smaller pores (< 20 nm)/larger Q values of shale samples increase systematically as temperature increase during pyrolysis from 250 oC to 600oC (Fig.1a). These results in combination with hydrocarbon fractions measurements during the same process (Fig. 1b) provide a quantitative relation between pore characteristics and hydrocarbons generation. Our results indicate that hydrocarbon expulsion primarily causes the observed changes in smaller pores. They also demonstrate that due to its sensitivity to hydrogen, SANS locates all pores whether the pore is filled or not with hydrocarbons. Thus, SANS is particularly suited for probing hydrocarbon behavior in tight shale reservoirs and the factors that impact their pore dynamics for the petroleum industry.

  18. Toroid dipole moment as a signature of hybridization, observability by magnetic neutron scattering

    NASA Astrophysics Data System (ADS)

    Buin, Andrei; de Chatel, Peter

    2002-03-01

    The current denstity generated by electrons in Russell-Saunders states within an l^n manifold comprises only even-parity multipoles: 'magnetic' dipoles, octopoles, etc. (L=1,3,...) and 'electric' quadrupoles, etc. (L=2,4,...). If inversion symmetry is broken, e.g., by an odd-parity order parameter, and hybridization between states of different parity becomes possible, odd-parity terms also emerge in the multipole expansion of the magnetic field. The L=1 'electric' term describes the field of toroidal currents, which can be modeled by a solenoid bent in a circle. The magnetic neutron scattering amplitude due to such toroidal currents (or, equivalently, ring-shaped magnetization patterns), has a distinct angular dependence on the scattering vector q. If data covering a sufficient variety of q vectors and neutron-spin orientations are available, magnetic and toroidal moments can be distinguished unambiguously. However, it can be shown that within a limited set of data, notably within a plane in q space, which contains the magnetic dipole moment that enables a satisfactory interpretation, a toroid moment can be found, which gives an equally satisfactory result. The possible relevance of this finding to the order parameter in URu2Si2 will be discussed.

  19. Delayed Choice in Feynman's Neutron Scattering Off a Crystal Experiment: The Effect of Information on the Neutron Distribution

    NASA Astrophysics Data System (ADS)

    Snyder, Douglas

    2014-03-01

    Feynman (Lect. on Phys., v. 3, 1965, ps. 3-7 to 3-9) maintained in his neutron scattering off a crystal experiment that which-way info can exist even if one does not perform a measurement. This interaction involves a spin flip for both the neutron and nucleus that the neutron scatters off. With the flip, the spin of the nucleus that the neutron scattered off becomes different than the spin direction of all the other nuclei in the crystal that the neutron could have scattered off. The spins of all the other nuclei are the same. It may be possible to eliminate the ww info as long as particle detections have not been made. Through spin-lattice relaxation after the neutron-nucleus interaction occurs, the spin flip of the nucleus would reverse before any detection is made. It would no longer be possible to determine which nucleus the neutron scattered off. The result is only interference in the distribution of the neutrons. This change from ww info to interference would be affected by a change in info regarding the nuclei in the crystal since there is no physical process whereby the change in the nuclei can affect the distribution of the neutrons. Altering relaxation duration relative to neutron detection time could provide a delayed choice. Another possibility would be to shut off the uniform, strong, external magnetic field B, that initially aligns all of the spins of the nuclei along the same axis, after the spin flip and before the neutron is detected. Ww info would be eliminated since the spin directions of all the nuclei would quickly become essentially random. Maintaining or turning off B could be a delayed choice.

  20. Study of the effect of ultrasonic agitation on the defects size in electro-deposited chromium layer by small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Choi, Y.; Hahn, Y. S.; Seong, B. S.; Kim, M.

    2006-11-01

    Ultrasonic agitation during electro-plating results in increasing deposition rate and neutral salt fog spray test (NSFST) life. Small-angle neutron scattering (SANS) showed that improvement of NSFST life is related to homogeneous size distribution of the defects.