• Volume 63, Issue 1

      July 2004,   pages  1-185

    • Foreword

      V C Sahni

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    • Preface

      R Mukhopadhyay V K Aswal V C Rakhecha

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    • National facility for neutron beam research

      K R Rao

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      In this talk, the growth of neutron beam research (NBR) in India over the past five decades is traced beginning with research at Apsara. A range of problems in condensed matter physics could be studied at CIRUS, followed by sophisticated indegenous instrumentation and research at Dhruva. The talk ends with an overview of current scenario of NBR world-wide and future of Indian activities.

    • Role of IUC-DAEF in promoting neutron beam research in India

      P S Goyal

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      Inter University Consortium for Department of Atomic Energy Facilities (IUC-DAEF) is an autonomous institute of the University Grants Commission and provides an interface between the university fraternity and the institutions of Department of Atomic Energy. Mumbai Centre of IUC-DAEF promotes and supports the use of neutron facilities at Dhruva reactor by the university scientists. To augment the existing neutron scattering facilities, IUC-DAEF has developed a neutron beam line at Dhruva reactor. The present paper gives a brief survey of the activities and achievements of Mumbai Centre of IUC-DAEF.

    • Hydrogen motions and the α-relaxation in glass-forming polymers: Molecular dynamics simulation and quasi-elastic neutron scattering results

      J Colmenero A Arbe F Alvarez A Narros D Richter M Monkenbusch B Farago

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      The combination of molecular dynamics simulations and neutron scattering measurements on three different glass-forming polymers (polyisoprene, poly(vinyl ethylene) and polybutadiene) has allowed to establish the existence of a crossover from Gaussian to non-Gaussian behavior for the incoherent scattering function in the α-relaxation regime. The deviation from Gaussian behavior observed can be reproduced assuming the existence of a distribution of discrete jump lengths underlying the sublinear diffusion of the atomic motions during the structural relaxation.

    • Crossover from Rouse dynamics to the α-relaxation in poly (vinyl ethylene)

      A Arbe J Colmenero D Richter M Monkenbusch L Willner B Farago

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      By means of neutron spin echo (NSE) we have explored the dynamics of poly(vinyl ethylene) on length scales covering Rouse dynamics and below. The results establish the simultaneous existence of a generic sublinear diffusion regime which underlies the α-process in addition to the Rouse process. Both regimes are separated by a well-defined dynamic crossover. From that the size of the Gaussian blobs making up the Rouse model is determined directly. The glassy dynamics may thus be identified with subdiffusive motions occurring within these Gaussian blobs.

    • The structure of molten ZnCl2: A new analysis of some old data

      A K Soper

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      Using a recently derived method, based on empirical potential structure refinement (EPSR), the structure of molten zinc chloride (ZnCl2) is re-analysed. Contrary to the picture given in some early analyses, the results indicate that there are significant uncertainties in the extracted site-site radial distribution functions, particularly the Zn-Zn distribution. These are derived from the small weighting of this partial structure factor in the measured diffraction data and from systematic uncertainties in the original data. The simulated atom distributions are used to discuss the three-dimensional structure of this molten salt.

    • Interfering with the neutron spin

      Apoorva G Wagh Veer Chand Rakhecha

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      Charge neutrality, a spin 1/2 and an associated magnetic moment of the neutron make it an ideal probe of quantal spinor evolutions. Polarized neutron interferometry in magnetic field Hamiltonians has thus scored several firsts such as direct verification of Pauli anticommutation, experimental separation of geometric and dynamical phases and observation of non-cyclic amplitudes and phases. This paper provides a flavour of the physics learnt from such experiments.

    • AMOR — the time-of-flight neutron reflectometer at SINQ/PSI

      Mukul Gupta T Gutberlet J Stahn P Keller D Clemens

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      The apparatus for multioptional reflectometry (AMOR) at SINQ/PSI is a versatile reflectometer operational in the time-of-flight (TOF) mode (in a wavelength range of 0.15 nm < λ < 1.3 nm) as well as in the monochromatic (θ- 2θ) mode with both polarized and unpolarized neutrons. AMOR is designed to perform reflectometry measurements in horizontal sample-plane geometry which allows studying both solid-liquid and liquid-liquid interfaces. A pulsed cold neutron beam from the end position of the neutron guide is produced by a dual-chopper system (side-by-side) having two windows at 180‡ and rotatable with a maximum frequency of 200 Hz. In the TOF mode, the chopper frequency, width of the gating window and the chopper-detector distance can be selected independently providing a wide range of q-resolution (Δq/q = 1–10%). Remanent FeCoV/Ti:N supermirrors are used as polarizer/analyzer with a polarization efficiency of ∼97%. For the monochromatic wavelength mode, a Ni/Ti multilayer is used as a monochromator, giving ∼50% reflectivity at a wavelength of 0.47 nm. In the present work, a detailed description of the instrument and setting-up of the polarization option is described. Results from some of the recent studies with polarized neutrons and measurements on liquid surfaces are presented.

    • Small-angle neutron scattering from micellar solutions

      V K Aswal P S Goyal

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      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 temperature, concentration etc. This paper gives the usefulness of small-angle neutron scattering to the study of micellar solutions with some of our recent results.

    • Inelastic neutron scattering and lattice dynamics studies in complex solids

      Mala N Rao R Mittal Narayani Choudhury S L Chaplot

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      At Trombay, lattice dynamics studies employing coherent inelastic neutron scattering (INS) experiments have been carried out at the two research reactors, CIRUS and Dhruva. While the early work at CIRUS involved many elemental solids and ionic molecular solids, recent experiments at Dhruva have focussed on certain superconductors (cuprates and intermetallics), geophysically important minerals (Al2SiO5, ZrSiO4, MnCO3) and layered halides (BaFCl, ZnCl2). In most of the studies, theoretical modelling of lattice dynamics has played a significant role in the interpretation and analysis of the results from experiments. This talk summarises the developments and current activities in the field of inelastic neutron scattering and lattice dynamics at Trombay.

    • Quasi-elastic neutron scattering study of dynamics in condensed matter

      S Mitra R Mukhopadhyay

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      Quasi-elastic neutron scattering (QENS) technique, known to study stochastic motions has been successfully used to elucidate the molecular motions and physical properties related to them, in a variety of systems. QENS is a unique technique that provides information on the time-scale of the motion as well as the geometry of the motions. In this paper, results of some of the systems studied using the facility available at Dhruva, Trombay and other mega-facilities are discussed. Emphasis is given on the results obtained from three different systems studied using QENS, namely, (1) alkyl chain motions in monolayer protected metal clusters, (2) molecular motions of propane in Na-Y zeolitic systems and (3) the study of reorientational motions of liquid crystal innO.m series in different mesophases.

    • Internal motions in proteins: A combined neutron scattering and molecular modelling approach

      M -C Bellissent-Funel

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      It is well-known that water plays a major role in the stability and catalytic function of proteins. Both the effect of hydration water on the dynamics of proteins and that of proteins on the dynamics of water have been studied using inelastic neutron scattering. Inelastic neutron scattering is the most direct probe of diffusive protein dynamics on the picosecond-nanosecond time-scale. We present here results relative to a photosynthetic globular protein, the C-phycocyanin, that can be obtained in protonated and deuterated forms. Diffusive motions have been studied using the protonated C-phycocyanin, protein. Molecular dynamics simulation and analytical theory have been combined to analyse the data and get a detailed description of diffusive motions for protein. The simulation-derived dynamic structure factors are in good agreement with experiment. The dynamical parameters are shown to present a smooth variation with distance from the core of the protein. The collective dynamics has been investigated using the fully deuterated C-phycocyanin protein. Both the experimental and calculated spectra exhibit a dynamic relaxation with a characteristic time of about 10 ps.

    • Neutron protein crystallography in JAERI

      I Tanaka

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      Neutron diffraction provides an experimental method of directly locating hydrogen atoms in proteins. After developing an original neutron detector (neutron imaging plate) and a novel practical neutron monochromator (elastically bent perfect Si monochromator), BIX-type diffractometers which were equipped with these tools were efficiently constructed at JRR-3 in Japan Atomic Energy Research Institute (JAERI), Japan and they have finished many protein crystallographic measurements and interesting results have come one after another. At the same time a method of growing large protein single crystals and a database of hydrogen and hydration have also been developed. In the near future, a pulsed neutron diffractometer for biological macromolecules has been proposed at J-PARC in JAERI.

    • Phase transition in triglycine family of hydrogen bonded ferroelectrics: An interpretation based on structural studies

      R R Choudhury R Chitra P U Sastry Amit Das M Ramanadham

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      Using the crystal structure, a comprehensive interpretation of the origin of ferroelectricity in the hydrogen bonded triglycine family of crystals is given. Our detailed analysis showed that the instability of nitrogen double well potential plays a driving role in the mechanism of the ferroelectric transitions in these crystals.

    • Partial magnetic order in the itinerant-electron magnet MnSi

      L Pintschovius D Reznik C Pfleiderer H v Löhneysen

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      MnSi is an itinerant ferromagnet with a long-wavelength helical modulation of the spin structure. Macroscopic measurements suggest that the ordering temperatureTc is reduced with increasing pressure fromTc = 30 K atp = 0 to zero at the critical pressurepc = 14.6 kbar. Resistivity measurements show that MnSi enters a non-Fermi liquid state atpc, which remains to be understood. Neutron scattering techniques have been used to investigate the magnetic structure at and abovepc, i.e. triple-axis spectrometry and small angle neutron scattering. Surprisingly, sizeable quasi-static moments were found to survive to pressures considerably abovepc. They are, however, organized in a highly unusual way such that the magnetic Bragg reflections are sharp in the longitudinal direction but are very broad in the transverse direction, implying a partial magnetic order that was never seen before.

    • Some applications of polarized inelastic neutron scattering in magnetism

      B Roessli P Böni

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      A brief account of applications of polarized inelastic neutron scattering in condensed matter research is given. We show that full polarization analysis is the only tool allowing to discriminate unambiguously between different magnetic modes in various magnetic materials. We show by means of recent results in the Heisenberg ferromagnet EuS that the effects of dipolar interactions can be studied on a microscopic scale. Moreover, we have found for the first time indications for the divergence of the longitudinal fluctuations belowTc. In the itinerant antiferromagnet chromium we demonstrate that the dynamics of the longitudinal and transverse excitations are very different, resolving a long standing puzzle concerning the slope of their dispersion. Finally, we show that a measurement of the polarization-dependent part of the cross section of non-centrosymmetric MnSi proves directly that the chirality of the magnetic fluctuations is left-handed.

    • Magnetic studies of colossal magnetoresistance perovskites on macroscopic, mesoscopic and microscopic length scales

      S M Yusuf

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      We have investigated magnetic correlations in various CMR manganites on macroscopic, mesoscopic and microscopic length scales by carrying out DC magnetization, neutron depolarization, and neutron diffraction measurements. We present here the effect of substituting Mn with Fe and La with Dy in the ferromagnetic La0.7−xCaxMnO3 (x ∼ 0.3–0.33) compounds. Neutron diffraction has been used in order to characterize the long-range magnetic order and its gradual suppression by the substitution. Neutron depolarization study has been carried out in order to bridge the gap in our understanding regarding the nature of magnetic correlation obtained from the macroscopic and microscopic measurements. In particular, our study on La0.67Ca0.33Mn0.9Fe0.1O3 has established the fact that a true double exchange mediated spin-glass is insulating. In another study of La-site ionic size effect and its disorder in (La1−xDyx)0.7Ca0.3MnO3, we have investigated the evolution of the length scale of magnetic ordering with a possible microscopic explanation and the results have been compared with that for the light rare earth substituted compounds.

    • Spin dynamics of bilayer manganites

      Tapan Chatterji

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      The results of inelastic and quasi-elastic neutron scattering investigations on the 40% hole-doped quasi-2D bilayer manganites La1.2Sr1.8Mn2O7 have been reviewed. The complete set of exchange interactions have been determined on the basis of a localized Heisenberg model. However, the spin wave dispersion in La1.2Sr1.8Mn2O7 shows softening close to the zone boundary and are also heavily damped especially close to the zone boundary and deviate from that expected for a simple Heisenberg model. A minimal double exchange model including quantum corrections can reproduce these effects qualitatively but falls short of quantitative agreement.

    • Magnetic correlation, excitation and slow dynamics in concentrated spin-glass alloys

      Kiyoichiro Motoya

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      Three kinds of neutron scattering experiments have been performed to clarify the role of magnetic clusters on the various properties of re-entrant spin-glasses. The presence of two kinds of spin-wave excitations, the limitations of magnetic phase diagrams and the mechanism of slow dynamics have been discussed based on the results of inelastic scattering, diffuse scattering and time-resolved small-angle scattering experiments, respectively.

    • Characterization of porous materials by small-angle scattering

      S Mazumder D Sen A K Patra

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      Characterization of porous materials by small-angle scattering has been extensively pursued for several years now as the pores are often of mesoscopic size and compatible with the length scale accessible by the technique using both neutrons and X-rays as probing radiation. With the availability of ultra small-angle scattering instruments, one can investigate porous materials in the sub-micron length scale. Because of the increased accessible length scale vis-a-vis the multiple scattering effect, conventional data analysis procedures based on single scattering approximation quite often fail. The limitation of conventional data analysis procedures is also pronounced in the case of thick samples and long wavelength of the probing radiation. Effect of multiple scattering is manifested by broadening the scattering profile. Sample thickness for some technologically important materials is often significantly high, as the experimental samples have to replicate all its essential properties in the bulk material. Larger wavelength of the probing radiation is used in some cases to access large length scale and also to minimize the effect of double Bragg reflections.

    • A possibility of parallel and anti-parallel diffraction measurements on neutron diffractometer employing bent perfect crystal monochromator at the monochromatic focusing condition

      Yong Nam Choi Shin Ae Kim Sung Kyu Kim Sung Baek Kim Chang-Hee Lee Pavel Mikula

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      In a conventional diffractometer having single monochromator, only one position, parallel position, is used for the diffraction experiment (i.e. detection) because the resolution property of the other one, anti-parallel position, is very poor. However, a bent perfect crystal (BPC) monochromator at monochromatic focusing condition can provide a quite flat and equal resolution property at both parallel and anti-parallel positions and thus one can have a chance to use both sides for the diffraction experiment. From the data of the FWHM and the Δd/d measured on three diffraction geometries (symmetric, asymmetric compression and asymmetric expansion), we can conclude that the simultaneous diffraction measurement in both parallel and anti-parallel positions can be achieved.

    • List of Participants

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